Model name: model_name=EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
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=3.5200000256299973
cohesive_energy=4.427798539389678
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: -0.0225496501540919 eV

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

Energy: 0.018067709460793377
Energy: 0.018573036771975887
Energy: 1.1751469874387246
Energy: 0.018573036772637417
Energy: 0.018573036771975887
Energy: 1.2952865212487696
Energy: 0.018573036771975887
Energy: 1.2952865212474831
Energy: 1.1751469874387246
Energy: 0.018573036771975887
Energy: 0.018067709460793377
Energy: 0.018573036771975887
Energy: 0.018573036772637417
Energy: 1.2952865212487696
Energy: 0.018573036771975887
Energy: 1.2952865212481446

minimum gb energy = 0.018067709460793377 eV
minimum distance =  2.4655778947308 Angstroms
sigma value = 1


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

Energy: 1.4003205959293532
Energy: 1.4430737603579304
Energy: 1.283900362364026
Energy: 1.443073760356326
Energy: 1.312458170933905
Energy: 1.3970312162412273
Energy: 1.3174362426898363
Energy: 1.3970312162428322
Energy: 1.264243362821332
Energy: 1.4265629786484637
Energy: 1.2915929628981904
Energy: 1.426562978649266
Energy: 1.2792081125896977
Energy: 1.3499647844372442
Energy: 1.280195304262768
Energy: 1.3499647844388485
Energy: 1.2826915595289858
Energy: 1.4487269096792934
Energy: 1.3137409626167869
Energy: 1.4487269096800957
Energy: 1.2522661734507625
Energy: 1.4110583207234424
Energy: 1.240661425122856
Energy: 1.4110583207234424
Energy: 1.3136871399817118
Energy: 1.4222465199156225
Energy: 1.2542238579628662
Energy: 1.4222465199164247
Energy: 1.175997433472167
Energy: 1.4500856407689688
Energy: 1.213648009324783
Energy: 1.4500856407689688
Energy: 1.2800252521227304
Energy: 1.5997738620871331
Energy: 1.321309311678166
Energy: 1.5997738620879354
Energy: 1.2242160461859617
Energy: 1.4252326093418246
Energy: 1.159450062887583
Energy: 1.4252326093426269
Energy: 1.3104878230967758
Energy: 1.3962367345754543
Energy: 1.2803138221493617
Energy: 1.396236734577059
Energy: 1.2659221922012405
Energy: 1.4492356773177573
Energy: 1.2473257441982881
Energy: 1.4492356773153503
Energy: 1.315568152920159
Energy: 1.4203321872030652
Energy: 1.3137543134448195
Energy: 1.4203321872038677
Energy: 1.2949476405104108
Energy: 1.4287732667983386
Energy: 1.2596436081229392
Energy: 1.4287732667959316
Energy: 1.294243527622016
Energy: 1.443758516700315
Energy: 1.2917719502464442
Energy: 1.443758516700315
Energy: 1.2926165821080495
Energy: 1.4434982850955251
Energy: 1.3112920832218067
Energy: 1.4434982850939206
Energy: 1.292036594079692
Energy: 1.4267528236089255
Energy: 1.2201387160100878
Energy: 1.4267528236089255
Energy: 1.3173696996175988
Energy: 1.3791895382775525
Energy: 1.3127688129794903
Energy: 1.3791895382759478
Energy: 1.1981637843238877
Energy: 1.4489938530458042
Energy: 1.245812921722789
Energy: 1.4489938530474085
Energy: 1.3358416231221546
Energy: 1.2968576255326572
Energy: 1.2831058903064223
Energy: 1.2968576255350637
Energy: 1.2287101242489282
Energy: 1.4265226920419394
Energy: 1.190772845385441
Energy: 1.4265226920435439
Energy: 1.2802620364065072
Energy: 1.3039980613409186
Energy: 1.2939075607750778
Energy: 1.3039980613409186
Energy: 1.2931413821040711
Energy: 1.4486234344314322
Energy: 1.2285314632715183
Energy: 1.4486234344322348
Energy: 1.2703637366078424
Energy: 1.4220711083524464
Energy: 1.2525021701763812
Energy: 1.4220711083516442
Energy: 1.2543631805131354
Energy: 1.4007450878460077
Energy: 1.3164012796927964
Energy: 1.40074508784681
Energy: 1.2815658889432466
Energy: 1.449871241883485
Energy: 1.2452088399147656
Energy: 1.4498712418850894
Energy: 1.3032389105102442
Energy: 1.3743847833289844
Energy: 1.279972091854799
Energy: 1.374384783330589
Energy: 1.2348652511427336
Energy: 1.4223986752140094
Energy: 1.3685843008838192
Energy: 1.4223986752140094
Energy: 1.3113622718635982
Energy: 1.3669369535038143
Energy: 1.292138493534322
Energy: 1.3669369535046165
Energy: 1.3186137823572561
Energy: 1.4447363007691154
Energy: 1.2713472985534053
Energy: 1.444736300768313
Energy: 1.306577987891839
Energy: 1.428164348315261
Energy: 1.31563269382634
Energy: 1.4281643483144586
Energy: 1.2712665219503603
Energy: 1.4219185082759396
Energy: 1.295582822645253
Energy: 1.4219185082751373
Energy: 1.2825595883503653
Energy: 1.455110871759799
Energy: 1.2824001509275627
Energy: 1.455110871757392

minimum gb energy = 1.159450062887583 eV
minimum distance =  2.18809095275517 Angstroms
sigma value = 1


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

Energy: 1.4843469752148806
Energy: 1.5377256184693733
Energy: 1.2941698020156123
Energy: 1.5377256184766912
Energy: 1.355764306185283
Energy: 1.4714236841137394
Energy: 1.3718901275926534
Energy: 1.471423684118313
Energy: 1.2969730572532798
Energy: 1.5397847927422221
Energy: 1.359441797788826
Energy: 1.5397847927440516
Energy: 1.3112389056677156
Energy: 1.3343880788716143
Energy: 1.3031564058822989
Energy: 1.334388078866126
Energy: 1.311126066935271
Energy: 1.5059235204196946
Energy: 1.3578049715925833
Energy: 1.5059235204242685
Energy: 1.3715655196826806
Energy: 1.5061337475558356
Energy: 1.2739713365203837
Energy: 1.506133747561324
Energy: 1.348339866279077
Energy: 1.3351895632779671
Energy: 1.3469850598478577
Energy: 1.3351895632825408
Energy: 1.2110593924638655
Energy: 1.5402705923915674
Energy: 1.273998094865531
Energy: 1.5402705923897382
Energy: 1.325459660695104
Energy: 1.375168545824264
Energy: 1.3948036888790687
Energy: 1.3751685458260934
Energy: 1.2949768771776773
Energy: 1.5398785866756783
Energy: 1.2952899233918715
Energy: 1.5398785866738491
Energy: 1.34813822257311
Energy: 1.4473188068271419
Energy: 1.3804860690495557
Energy: 1.4473188068262268
Energy: 1.2689931289953467
Energy: 1.5214343535036219
Energy: 1.3493227722145114
Energy: 1.5214343535054513
Energy: 1.3689835219262814
Energy: 1.5015618556132269
Energy: 1.3456845970622135
Energy: 1.5015618556095678
Energy: 1.3689494783973306
Energy: 1.501620394830898
Energy: 1.3581957678982126
Energy: 1.501620394839131
Energy: 1.268871170048943
Energy: 1.5214597947147448
Energy: 1.3551100799722837
Energy: 1.5214597947101711
Energy: 1.3481354084128179
Energy: 1.4474200912280681
Energy: 1.3465526354850434
Energy: 1.4474200912235358
Energy: 1.2949576033467045
Energy: 1.5398466300318308
Energy: 1.2952350413357883
Energy: 1.5398466300290865
Energy: 1.3254656437219254
Energy: 1.3753385182650308
Energy: 1.39485049644414
Energy: 1.375338518267775
Energy: 1.2110396072798637
Energy: 1.5402344339865304
Energy: 1.2702464919548784
Energy: 1.5402344339874452
Energy: 1.3483338961665299
Energy: 1.335100292120047
Energy: 1.30325207001808
Energy: 1.3351002921237058
Energy: 1.3716418392362524
Energy: 1.5062000938409337
Energy: 1.3330052488484243
Energy: 1.5062000938381892
Energy: 1.3111860609784538
Energy: 1.506113154142253
Energy: 1.338203272495546
Energy: 1.5061131541440824
Energy: 1.311186102791563
Energy: 1.3343319211288402
Energy: 1.3469289429900926
Energy: 1.334331921134329
Energy: 1.2970999158388123
Energy: 1.5398008876552347
Energy: 1.3454843742329883
Energy: 1.5398008876524905
Energy: 1.3558531593303211
Energy: 1.471399496636732
Energy: 1.3718573827882397
Energy: 1.471399496642221
Energy: 1.4843469752157954
Energy: 1.5377256184693733
Energy: 1.382466737926418
Energy: 1.5377256184766912
Energy: 1.3557643061871125
Energy: 1.4714236841137394
Energy: 1.3718901275926534
Energy: 1.471423684118313
Energy: 1.2969730572532798
Energy: 1.539784792743137
Energy: 1.3492923458334836
Energy: 1.5397847927440516
Energy: 1.3112389056677156
Energy: 1.3343880788706999
Energy: 1.294290766680369
Energy: 1.3343880788642966

minimum gb energy = 1.2110396072798637 eV
minimum distance =  2.15798714274116 Angstroms
sigma value = 25


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

Energy: 1.50143138761013
Energy: 1.6030988187803243
Energy: 1.4673373564393812
Energy: 1.6030988187835145
Energy: 1.4657014134647974
Energy: 1.5019368692723651
Energy: 1.4343203783330976
Energy: 1.501936869273428
Energy: 1.3690859451981405
Energy: 1.659760834859383
Energy: 1.4310801820642416
Energy: 1.6597608348604465
Energy: 1.407767870433423
Energy: 1.4169305517246364
Energy: 1.376455074170949
Energy: 1.41693055172251
Energy: 1.4065161435259859
Energy: 1.6051188739351723
Energy: 1.4096208927613219
Energy: 1.6051188739404894
Energy: 1.4597680403767614
Energy: 1.6619007439035192
Energy: 1.4228727736505211
Energy: 1.661900743900329
Energy: 1.446119305721915
Energy: 1.448849494686589
Energy: 1.410090528911943
Energy: 1.4488494946876525
Energy: 1.4412995604506407
Energy: 1.6124987607133887
Energy: 1.337226953877513
Energy: 1.6124987607133887
Energy: 1.4091650770662716
Energy: 1.540223207222746
Energy: 1.446246542881523
Energy: 1.5402232072216824
Energy: 1.4488994051010553
Energy: 1.6619673891120632
Energy: 1.4029732759842335
Energy: 1.661967389115253
Energy: 1.4237774794549887
Energy: 1.6030304277996517
Energy: 1.4075057140203953
Energy: 1.6030304278017784
Energy: 1.3988885962307984
Energy: 1.6011814387262273
Energy: 1.4076192842032877
Energy: 1.601181438727291
Energy: 1.4316382272463961
Energy: 1.6061497965973512
Energy: 1.3585648646247477
Energy: 1.6061497965941613
Energy: 1.4526251587541317
Energy: 1.478883683832436
Energy: 1.44968302828355
Energy: 1.478883683835626
Energy: 1.3230421140317659
Energy: 1.6099856058218158
Energy: 1.3361430166184176
Energy: 1.6099856058250057
Energy: 1.4203910456799198
Energy: 1.587406890392366
Energy: 1.4072087620705571
Energy: 1.5874068903913028
Energy: 1.2976068048349403
Energy: 1.6634158713223473
Energy: 1.2977525751162187
Energy: 1.663415871319157
Energy: 1.3581931407555348
Energy: 1.5382581514655365
Energy: 1.401934713133292
Energy: 1.5382581514676632
Energy: 1.4086141815274689
Energy: 1.602820888840243
Energy: 1.3588740550134237
Energy: 1.6028208888413067
Energy: 1.4471023350569934
Energy: 1.6616677228377674
Energy: 1.428177487434323
Energy: 1.6616677228367043
Energy: 1.4229289756931676
Energy: 1.4951320492819946
Energy: 1.4299499429736402
Energy: 1.495132049283058
Energy: 1.483610527774742
Energy: 1.6016357626533537
Energy: 1.4581199153830737
Energy: 1.6016357626501634
Energy: 1.465801083007948
Energy: 1.5670096237119586
Energy: 1.430204655994074
Energy: 1.5670096237130218
Energy: 1.3678231195025101
Energy: 1.6593340978309121
Energy: 1.4491092493708564
Energy: 1.6593340978266589
Energy: 1.4050352033625686
Energy: 1.41768724195334
Energy: 1.377223693175399
Energy: 1.41768724195334

minimum gb energy = 1.2976068048349403 eV
minimum distance =  2.16377016991756 Angstroms
sigma value = 9


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

Energy: 1.4997270643107157
Energy: 1.4994010491335399
Energy: 1.4810943161576091
Energy: 1.4994010491335399
Energy: 1.4667304009851942
Energy: 1.6018719168807936
Energy: 1.4867344362674402
Energy: 1.6018719168833304
Energy: 1.4520579863995478
Energy: 1.507074680063607
Energy: 1.4679092270584622
Energy: 1.507074680066144
Energy: 1.5101603319360972
Energy: 1.491824855873662
Energy: 1.3926848675912216
Energy: 1.4918248558723934
Energy: 1.5649078463888046
Energy: 1.6020520677282302
Energy: 1.4658658439265622
Energy: 1.6020520677282302
Energy: 1.3234187202796794
Energy: 1.5062265956811125
Energy: 1.5018044289068255
Energy: 1.506226595682381
Energy: 1.4993123380871565
Energy: 1.3930274196835073
Energy: 1.3937761915791493
Energy: 1.393027419684776
Energy: 1.4383036748215905
Energy: 1.5063529436391114
Energy: 1.377837056871913
Energy: 1.5063529436416485
Energy: 1.499710962849733
Energy: 1.6020886233433582
Energy: 1.4867333700991159
Energy: 1.6020886233408214
Energy: 1.508145599934056
Energy: 1.4991736172242585
Energy: 1.3928707487328311
Energy: 1.4991736172267955
Energy: 1.4135430436521499
Energy: 1.590431141145917
Energy: 1.4678948424479101
Energy: 1.590431141145917
Energy: 1.5088176582432467
Energy: 1.580862972246044
Energy: 1.393044807012838
Energy: 1.5808629722498497
Energy: 1.323220561228273
Energy: 1.5068651933971975
Energy: 1.3543734226357826
Energy: 1.5068651933984663
Energy: 1.492820176232551
Energy: 1.5055685525020686
Energy: 1.5032381820419205
Energy: 1.5055685525020686
Energy: 1.3232213311085366
Energy: 1.5068710622780628
Energy: 1.438765543616653
Energy: 1.5068710622793313
Energy: 1.5085676054583719
Energy: 1.5808141250422851
Energy: 1.393163037628767
Energy: 1.5808141250422851
Energy: 1.413686510011682
Energy: 1.5904102426046849
Energy: 1.410087169817343
Energy: 1.590410242607222
Energy: 1.5081379610151702
Energy: 1.4991554363289985
Energy: 1.392761412736577
Energy: 1.4991554363239246
Energy: 1.4998756362630465
Energy: 1.6020956654232419
Energy: 1.427519433026739
Energy: 1.6020956654207048
Energy: 1.4382229414832077
Energy: 1.50633694414077
Energy: 1.3778523384121604
Energy: 1.5063369441420384
Energy: 1.4993082139254081
Energy: 1.3930036809824864
Energy: 1.3937874842044924
Energy: 1.3930036809799495

minimum gb energy = 1.323220561228273 eV
minimum distance =  2.28718635691368 Angstroms
sigma value = 25


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

Energy: 1.4429856399218053
Energy: 1.7811580634279778
Energy: 1.639488048634331
Energy: 1.7811580634279778
Energy: 1.408554761444884
Energy: 1.6109895808482924
Energy: 1.3791430872720594
Energy: 1.6109895808482924
Energy: 1.379153203346659
Energy: 1.7426401201253368
Energy: 1.3790347147680075
Energy: 1.7426401201253368
Energy: 1.4416866900410712
Energy: 1.6005568881001884
Energy: 1.5498156766671434
Energy: 1.6005568880986194
Energy: 1.5488171348769153
Energy: 1.4073548249304138
Energy: 1.4500986735390908
Energy: 1.4073548249304138
Energy: 1.3793284488240813
Energy: 1.6473807560448188
Energy: 1.3793303110179018
Energy: 1.6473807560448188
Energy: 1.4486765476264731
Energy: 1.6025672471029464
Energy: 1.3786042263761178
Energy: 1.6025672471045154
Energy: 1.5308662743311887
Energy: 1.6113000497270833
Energy: 1.442931963619555
Energy: 1.6113000497255148
Energy: 1.3791260081558687
Energy: 1.5155205685846151
Energy: 1.4094342106400097
Energy: 1.5155205685846151
Energy: 1.6146190087597567
Energy: 1.6484277364107756
Energy: 1.378848816779589
Energy: 1.6484277364092068
Energy: 1.4954930946748617
Energy: 1.7060725704486632
Energy: 1.695396787917195
Energy: 1.7060725704502322
Energy: 1.3786138464898816
Energy: 1.544637703338765
Energy: 1.6172399238124304
Energy: 1.544637703338765
Energy: 1.5230644040772574
Energy: 1.5185587892012973
Energy: 1.3789216695538764
Energy: 1.5185587892012973
Energy: 1.3785841960842797
Energy: 1.4894927539540184
Energy: 1.4415988028107292
Energy: 1.4894927539540184
Energy: 1.5174504406108635
Energy: 1.6099839703850283
Energy: 1.5311835305297261
Energy: 1.6099839703850283
Energy: 1.4077787069542085
Energy: 1.5472359637566688
Energy: 1.3790958620497786
Energy: 1.5472359637582378
Energy: 1.3786287679319515
Energy: 1.5269710542267063
Energy: 1.6156981985177727
Energy: 1.5269710542282753

minimum gb energy = 1.3785841960842797 eV
minimum distance =  2.26927988947288 Angstroms
sigma value = 17


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

Energy: 1.573814181324111
Energy: 1.5720220110619423
Energy: 1.7573672728456293
Energy: 1.5720220110619423
Energy: 1.6109308185308624
Energy: 1.5334278542456672
Energy: 1.4267983817220817
Energy: 1.5334278542456672
Energy: 1.5843308656763064
Energy: 1.5556907438693284
Energy: 1.426286248865486
Energy: 1.55569074386844
Energy: 1.4286603606240036
Energy: 1.692814787945206
Energy: 1.5317682084544622
Energy: 1.6928147879478714
Energy: 1.6380246311461477
Energy: 1.5380483968665508
Energy: 1.5168753541020181
Energy: 1.5380483968692165
Energy: 1.4549031001417057
Energy: 1.583745587858433
Energy: 1.568467377610506
Energy: 1.583745587858433
Energy: 1.4286473693808082
Energy: 1.5979667097778987
Energy: 1.5140728540707586
Energy: 1.5979667097778987
Energy: 1.5676674865250684
Energy: 1.5835451848064328
Energy: 1.4526728813123244
Energy: 1.5835451848055446
Energy: 1.4536244806561676
Energy: 1.5962942085710545
Energy: 1.6219566200807507
Energy: 1.596294208570166
Energy: 1.7206873977329684
Energy: 1.552178197861301
Energy: 1.4276164065049612
Energy: 1.5521781978621894
Energy: 1.4328604969189909
Energy: 1.5989672028800457
Energy: 1.5869641733094781
Energy: 1.5989672028800457
Energy: 1.4533995729395006
Energy: 1.595222588053162
Energy: 1.4525208870305637
Energy: 1.5952225880540505
Energy: 1.713163548729379
Energy: 1.5725174401072697
Energy: 1.5756900068209696
Energy: 1.572517440108158
Energy: 1.42670913870555
Energy: 1.6148896263516648
Energy: 1.613306464529884
Energy: 1.6148896263516648
Energy: 1.5573603592714096
Energy: 1.5948146908075014
Energy: 1.4558280729022794
Energy: 1.5948146908075014
Energy: 1.5844929530981078
Energy: 1.5832411922064764
Energy: 1.568028509806677
Energy: 1.5832411922064764
Energy: 1.5143519839069202
Energy: 1.6457229334314438
Energy: 1.7273222687023952
Energy: 1.6457229334323324
Energy: 1.559806584855735
Energy: 1.5554536750527406
Energy: 1.4547234753151248
Energy: 1.5554536750518522
Energy: 1.5009168762774876
Energy: 1.649726906708913
Energy: 1.5063503931809297
Energy: 1.649726906708913
Energy: 1.5160046572668413
Energy: 1.6920537558727253
Energy: 1.4292397482088441
Energy: 1.6920537558718367
Energy: 1.498247977147913
Energy: 1.5814841313938597
Energy: 1.5841043457633173
Energy: 1.5814841313929713
Energy: 1.5138860316558813
Energy: 1.68391002631505
Energy: 1.7202291206799747
Energy: 1.68391002631505
Energy: 1.5893461303977836
Energy: 1.599932321355322
Energy: 1.4265254062599324
Energy: 1.5999323213544336
Energy: 1.53852125259908
Energy: 1.5971806529651373
Energy: 1.5981389623053006
Energy: 1.5971806529660255
Energy: 1.5383336622872517
Energy: 1.5551641613223148
Energy: 1.5968156395652744
Energy: 1.5551641613214668
Energy: 1.6704820928635835
Energy: 1.595550993508563
Energy: 1.4281664579702087
Energy: 1.59555099351034
Energy: 1.5163659766028597
Energy: 1.6197291036635246
Energy: 1.7670086680386903
Energy: 1.6197291036635246
Energy: 1.5674361194174107
Energy: 1.5831908936142935
Energy: 1.5856060076922225
Energy: 1.5831908936142935
Energy: 1.7269287800329183
Energy: 1.6919740039132234
Energy: 1.4290129348915186
Energy: 1.6919740039150004
Energy: 1.4522519094511936
Energy: 1.6478463254349476
Energy: 1.698766417613354
Energy: 1.6478463254349476

minimum gb energy = 1.426286248865486 eV
minimum distance =  2.13987685696748 Angstroms
sigma value = 53


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

Energy: 1.3774000956132093
Energy: 1.3768124906874293
Energy: 1.7350739607843968
Energy: 1.3768124906853836
Energy: 1.6417383618631127
Energy: 1.5473550291065798
Energy: 1.5264101841999465
Energy: 1.5473550291065798
Energy: 1.4061736792882307
Energy: 1.3768215212073764
Energy: 1.3808675283241225
Energy: 1.3768215212073764
Energy: 1.4061141626480709
Energy: 1.3768038490086139
Energy: 1.3808644000812744
Energy: 1.3768038490127048
Energy: 1.64178098599866
Energy: 1.5491752433500219
Energy: 1.5114853185841695
Energy: 1.5491752433500219
Energy: 1.3774000956132093
Energy: 1.3768124906853836
Energy: 1.7350739607843968
Energy: 1.3768124906874293
Energy: 1.6417383618631127
Energy: 1.5473550291065798
Energy: 1.5772837425898762
Energy: 1.5473550291045346
Energy: 1.4061736927556585
Energy: 1.376821521209422
Energy: 1.4978547120659391
Energy: 1.376821521209422
Energy: 1.4061141676940094
Energy: 1.3768038490086139
Energy: 1.5240638499572539
Energy: 1.3768038490127048
Energy: 1.6417809860007053
Energy: 1.5491752433520671
Energy: 1.4826590301912919
Energy: 1.5491752433500219
Energy: 1.3774000956132093
Energy: 1.3768124906874293
Energy: 1.795513351179046
Energy: 1.3768124906853836
Energy: 1.641738361867157
Energy: 1.5473550291065798
Energy: 1.5772837425898762
Energy: 1.5473550291045346
Energy: 1.4061737169711814
Energy: 1.3768215212073764
Energy: 1.5770610931639357
Energy: 1.3768215212073764

minimum gb energy = 1.3768038490086139 eV
minimum distance =  2.24881191276597 Angstroms
sigma value = 9


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

Energy: 1.4958325415854958
Energy: 1.6573952958924172
Energy: 1.8397837184744192
Energy: 1.6573952958924172
Energy: 1.7358649672973785
Energy: 1.5730875944037916
Energy: 1.5066241593455951
Energy: 1.5730875944022777
Energy: 1.4888488575285634
Energy: 1.4755194152671516
Energy: 1.4828081291909434
Energy: 1.4755194152656375
Energy: 1.6284370404025252
Energy: 1.7333994748521835
Energy: 1.5056711102359812
Energy: 1.7333994748521835
Energy: 1.6523008958802892
Energy: 1.5652960530063909
Energy: 1.506009270553989
Energy: 1.565296053007148
Energy: 1.4757932499873143
Energy: 1.4745026110227615
Energy: 1.6205842349780502
Energy: 1.4745026110250328
Energy: 1.8579548435100122
Energy: 1.5585936140266776
Energy: 1.5072649894488077
Energy: 1.5585936140281915
Energy: 1.5064647443703687
Energy: 1.7378148914110332
Energy: 1.6523321744820398
Energy: 1.7378148914110332
Energy: 1.4925804596163004
Energy: 1.748137674211759
Energy: 1.4743780920301892
Energy: 1.7481376742102448
Energy: 1.4974444846432216
Energy: 1.5707777763220607
Energy: 1.5084838994491054
Energy: 1.5707777763258461
Energy: 1.509043968457836
Energy: 1.7333016094692204
Energy: 1.8059237586421792
Energy: 1.733301609467706
Energy: 1.6770539815596832
Energy: 1.6812462012926803
Energy: 1.497963541614892
Energy: 1.6812462012934375
Energy: 1.4923445549248338
Energy: 1.5741857598253017
Energy: 1.7511814729172555
Energy: 1.5741857598260585
Energy: 1.6331572331816515
Energy: 1.6573417314365244
Energy: 1.4932727667243124
Energy: 1.6573417314357677
Energy: 1.5109717999123358
Energy: 1.6667771361027748
Energy: 1.6620223426633138
Energy: 1.6667771361073171
Energy: 1.496595450401285
Energy: 1.7462838608187377
Energy: 1.6262605633988336
Energy: 1.7462838608202516
Energy: 1.593289325912223
Energy: 1.6666227725663367
Energy: 1.5109382015889754
Energy: 1.666622772570879
Energy: 1.5130453431709314
Energy: 1.5584491315584228
Energy: 1.696563471434551
Energy: 1.5584491315576654
Energy: 1.6871754999038429
Energy: 1.5724529278444235
Energy: 1.4788940542369042
Energy: 1.5724529278451802
Energy: 1.4963604542877385
Energy: 1.5925054330945
Energy: 1.618082426083311
Energy: 1.5925054330975286
Energy: 1.6274503946222703
Energy: 1.7315991428522928
Energy: 1.6312544668848137
Energy: 1.73159914285305
Energy: 1.6170401472223062
Energy: 1.659031797995508
Energy: 1.5030315988623855
Energy: 1.659031797995508
Energy: 1.4744297273260258
Energy: 1.650230974832057
Energy: 1.4925428650251646
Energy: 1.6502309748328141
Energy: 1.8391876929954998
Energy: 1.581116297079657
Energy: 1.5059083379996312
Energy: 1.581116297079657
Energy: 1.5070314651692938
Energy: 1.6965953558435134
Energy: 1.7800444461914204
Energy: 1.6965953558419993
Energy: 1.5564525010989814
Energy: 1.475269483890678
Energy: 1.4893332833276256
Energy: 1.475269483889921
Energy: 1.6015086016341398
Energy: 1.6724764682518947
Energy: 1.6274449025717865
Energy: 1.6724764682496236
Energy: 1.4938809753873679
Energy: 1.7349883165324267
Energy: 1.6281086496674806
Energy: 1.7349883165324267
Energy: 1.547456185556436
Energy: 1.474755327182043
Energy: 1.4882789863131693
Energy: 1.474755327182043
Energy: 1.5067211774190956
Energy: 1.6968578533179763
Energy: 1.7794936597838598
Energy: 1.6968578533202476
Energy: 1.742965097156763
Energy: 1.580500593994305
Energy: 1.5044635018640815
Energy: 1.5805005939935484
Energy: 1.4748605429670951
Energy: 1.5602741405917941
Energy: 1.4894594383992292
Energy: 1.5602741405933085
Energy: 1.507686878737571
Energy: 1.6543379934915807
Energy: 1.4890733318283533
Energy: 1.6543379934930948
Energy: 1.6273110691497332
Energy: 1.7326615281219184
Energy: 1.6280967648654052
Energy: 1.732661528124947
Energy: 1.4947050786323797
Energy: 1.7260687815966416
Energy: 1.8598807095295484
Energy: 1.7260687815966416

minimum gb energy = 1.4743780920301892 eV
minimum distance =  2.18235689995715 Angstroms
sigma value = 73


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

Energy: 1.4743192403926926
Energy: 1.4739210866286188
Energy: 1.8088862082704877
Energy: 1.4739210866286188
Energy: 1.5964370071255838
Energy: 1.6214830232421198
Energy: 1.5281267631286533
Energy: 1.6214830232433208
Energy: 1.5268148936237587
Energy: 1.6271872749847416
Energy: 1.4853513150613362
Energy: 1.6271872749847416
Energy: 1.4983505234580015
Energy: 1.623003344512408
Energy: 1.5285794940407484
Energy: 1.623003344512408
Energy: 1.4966078734459538
Energy: 1.5939697439736484
Energy: 1.526277903081057
Energy: 1.5939697439724474
Energy: 1.5372446419293366
Energy: 1.5168889696922068
Energy: 1.767951161995009
Energy: 1.516888969693408
Energy: 1.8584556902178804
Energy: 1.788567847894639
Energy: 1.52932101364424
Energy: 1.7885678478934381
Energy: 1.4985959397614266
Energy: 1.473650380964807
Energy: 1.8006750759082017
Energy: 1.473650380966008
Energy: 1.7701825025151174
Energy: 1.4742909484335809
Energy: 1.4735888617496193
Energy: 1.4742909484335809
Energy: 1.5268241790074342
Energy: 1.6057085923723233
Energy: 1.5275011153588838
Energy: 1.6057085923723233
Energy: 1.4960625908978227
Energy: 1.6285281450874778
Energy: 1.768366789971682
Energy: 1.6285281450862767
Energy: 1.6575080661195338
Energy: 1.6544825311233151
Energy: 1.5016430356880999
Energy: 1.6544825311233151
Energy: 1.5370880690799749
Energy: 1.5892270871589884
Energy: 1.6406603871995056
Energy: 1.5892270871577876
Energy: 1.8259587945476528
Energy: 1.5895955459135698
Energy: 1.5370790076915293
Energy: 1.5895955459135698
Energy: 1.48734361139553
Energy: 1.5782946522101942
Energy: 1.6853901303168934
Energy: 1.5782946522113954
Energy: 1.781511041469467
Energy: 1.4739693320577825
Energy: 1.4987432021634437
Energy: 1.4739693320577825
Energy: 1.528287526883701
Energy: 1.4737205620544205
Energy: 1.5267837759185108
Energy: 1.4737205620556215
Energy: 1.4735581861495424
Energy: 1.4754082462758233
Energy: 1.5373639685987548
Energy: 1.4754082462758233
Energy: 1.5017199904516547
Energy: 1.4737830520188742
Energy: 1.495533452309857
Energy: 1.4737830520188742
Energy: 1.5282247843978194
Energy: 1.5777260587234212
Energy: 1.8570717389978577
Energy: 1.5777260587222197
Energy: 1.7787770536171457
Energy: 1.5089948702552678
Energy: 1.538491674206903
Energy: 1.5089948702564688
Energy: 1.5283174941007795
Energy: 1.5911749176683183
Energy: 1.6394847475536534
Energy: 1.5911749176683183

minimum gb energy = 1.4735581861495424 eV
minimum distance =  2.21197629839055 Angstroms
sigma value = 7


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

Energy: 1.5002833621169078
Energy: 1.4996322457840938
Energy: 1.7847934118462683
Energy: 1.4996322457815459
Energy: 1.827619237971388
Energy: 1.5558857515576068
Energy: 1.5283631585063304
Energy: 1.5558857515533602
Energy: 1.4935995875063395
Energy: 1.6986737611537406
Energy: 1.5243681261538142
Energy: 1.6986737611511926
Energy: 1.550378572000205
Energy: 1.6047905309247785
Energy: 1.5447798345490653
Energy: 1.6047905309247785
Energy: 1.509306080488733
Energy: 1.5948746750375826
Energy: 1.4962238908438545
Energy: 1.5948746750375826
Energy: 1.498190658465766
Energy: 1.6192254530742567
Energy: 1.7400634745330574
Energy: 1.6192254530759553
Energy: 1.6711441420799233
Energy: 1.6973479093420427
Energy: 1.5499035263192311
Energy: 1.6973479093411936
Energy: 1.4981026617408235
Energy: 1.5007614476867048
Energy: 1.8025488077465535
Energy: 1.5007614476909514
Energy: 1.6724486059261452
Energy: 1.5882472652871764
Energy: 1.5188255080481254
Energy: 1.58824726528293
Energy: 1.5099738610147373
Energy: 1.6052584583923755
Energy: 1.6191288428067736
Energy: 1.6052584583949234
Energy: 1.5350376021011636
Energy: 1.7028204548059576
Energy: 1.5652514921846818
Energy: 1.7028204548017107
Energy: 1.5008889903786804
Energy: 1.5924740463833638
Energy: 1.5630910979767736
Energy: 1.5924740463884595
Energy: 1.4997386378984048
Energy: 1.5014317647642057
Energy: 1.5652362962848456
Energy: 1.5014317647582607
Energy: 1.5236942201548753
Energy: 1.490104712545974
Energy: 1.5609803637385402
Energy: 1.4901047125357822
Energy: 1.5070734929539455
Energy: 1.7273826317024645
Energy: 1.7191715399848755
Energy: 1.7273826317007657
Energy: 1.8409561037527065
Energy: 1.4894090208250923
Energy: 1.5146413245605093
Energy: 1.4894090208259418
Energy: 1.5307058026375364
Energy: 1.6206142719602492
Energy: 1.718200149824182
Energy: 1.6206142719653451
Energy: 1.4975809817563248
Energy: 1.6985033842653325
Energy: 1.5625400545618406
Energy: 1.6985033842678807
Energy: 1.4933726576764292
Energy: 1.6200326556493605
Energy: 1.5643392216964267
Energy: 1.6200326556527578
Energy: 1.509585423474751
Energy: 1.5930573926475182
Energy: 1.539101149542831
Energy: 1.5930573926526141
Energy: 1.5463440629083585
Energy: 1.7077963808817844
Energy: 1.5185060912223562
Energy: 1.7077963808800856
Energy: 1.51134781288317
Energy: 1.6987626117862713
Energy: 1.6447253591483848
Energy: 1.6987626117896684
Energy: 1.7789737196493585
Energy: 1.5905440641034172
Energy: 1.554656399334062
Energy: 1.5905440641042665
Energy: 1.505658861322418
Energy: 1.5006783685753295
Energy: 1.7447372296299803
Energy: 1.5006783685770282
Energy: 1.5861827366905816
Energy: 1.592606012091578
Energy: 1.5134925373992552
Energy: 1.5926060120966743
Energy: 1.5501916593689424
Energy: 1.7012583965877994
Energy: 1.5374599626735521
Energy: 1.7012583965911967
Energy: 1.5102317038850697
Energy: 1.605100524906716
Energy: 1.511719497631898
Energy: 1.6051005248982613
Energy: 1.5502990272720203
Energy: 1.6191372822577383
Energy: 1.5442414454516389
Energy: 1.619137282259437
Energy: 1.492775121041619
Energy: 1.500542234290391
Energy: 1.6378454183525903
Energy: 1.5005422342878432
Energy: 1.6854542909048855
Energy: 1.5548275073050075
Energy: 1.5282329864404314
Energy: 1.5548275073041582
Energy: 1.4927757449381462
Energy: 1.5007101257909428
Energy: 1.7564244665996707
Energy: 1.5007101257883946

minimum gb energy = 1.4894090208250923 eV
minimum distance =  2.19780284413888 Angstroms
sigma value = 29


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

Energy: 1.431944734105866
Energy: 1.4277277009702014
Energy: 1.764706825701612
Energy: 1.4277277009693463
Energy: 1.436494644457875
Energy: 1.4330844548780495
Energy: 1.501316639089301
Energy: 1.4330844548777535
Energy: 1.489353462426675
Energy: 1.5025686518998476
Energy: 1.384575560137986
Energy: 1.5025686518998476
Energy: 1.4299293070983214
Energy: 1.386304610897487
Energy: 1.3803473471644985
Energy: 1.386304610897487
Energy: 1.432013518510392
Energy: 1.483983696345939
Energy: 1.6400019136181618
Energy: 1.483983696345643
Energy: 1.4892051543247136
Energy: 1.5037181924848353
Energy: 1.489039934415239
Energy: 1.5037181924845395
Energy: 1.4358083530289596
Energy: 1.4839565378232202
Energy: 1.4320199009385528
Energy: 1.4839565378229571
Energy: 1.3805322784536362
Energy: 1.3863217526213671
Energy: 1.4299252899417232
Energy: 1.3863217526208083
Energy: 1.3852488198350026
Energy: 1.502559070564003
Energy: 1.4893473709116969
Energy: 1.5025590705642988

minimum gb energy = 1.3803473471644985 eV
minimum distance =  2.26247091314136 Angstroms
sigma value = 5


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

Energy: 1.4214935256976804
Energy: 1.4043395056577543
Energy: 1.6562780383159013
Energy: 1.404339505662568
Energy: 1.611573420321567
Energy: 1.4887270652164146
Energy: 1.3847336093690108
Energy: 1.48872706521481
Energy: 1.3740266460769992
Energy: 1.3960984655795685
Energy: 1.640070797492534
Energy: 1.396098465577964
Energy: 1.3909389423922196
Energy: 1.4786067540714982
Energy: 1.3960855259568956
Energy: 1.478606754068289
Energy: 1.3831779481819497
Energy: 1.4864145765430037
Energy: 1.6915955909531843
Energy: 1.4864145765405967
Energy: 1.4361164031100295
Energy: 1.4068685172591622
Energy: 1.3757608256808453
Energy: 1.406868517263976
Energy: 1.3751231919521836
Energy: 1.4953697238509533
Energy: 1.3754266596196345
Energy: 1.4953697238517556
Energy: 1.3822203204618166
Energy: 1.407867071218212
Energy: 1.384602027261331
Energy: 1.407867071215805
Energy: 1.3892252808919268
Energy: 1.4053209471455153
Energy: 1.3902918151689556
Energy: 1.4053209471407013
Energy: 1.3954039878471771
Energy: 1.4885506021839376
Energy: 1.376535561499556
Energy: 1.48855060218474
Energy: 1.37133143461484
Energy: 1.407783571223679
Energy: 1.3766879509567644
Energy: 1.407783571223679
Energy: 1.3736143815658608
Energy: 1.4301704955848393
Energy: 1.512893044376472
Energy: 1.4301704955872463
Energy: 1.4598420974495285
Energy: 1.406063389162886
Energy: 1.409483648824952
Energy: 1.4060633891636882
Energy: 1.3828139470390985
Energy: 1.4734287509072503
Energy: 1.497795131748889
Energy: 1.473428750908855
Energy: 1.759216981221121
Energy: 1.4764031553302646
Energy: 1.3765061892405919
Energy: 1.4764031553310668
Energy: 1.393397105138116
Energy: 1.3922459906579339
Energy: 1.5895938052677043
Energy: 1.392245990652318
Energy: 1.6052375168055688
Energy: 1.3804502150854787
Energy: 1.3916889997094488
Energy: 1.3804502150870834
Energy: 1.3889516239601447
Energy: 1.4056143475713125
Energy: 1.548113943341037
Energy: 1.4056143475721148
Energy: 1.3787892545187324
Energy: 1.4974947619341397
Energy: 1.378553640918419
Energy: 1.497494761938151
Energy: 1.3726211619870787
Energy: 1.4852947046667646
Energy: 1.3959864933444106
Energy: 1.4852947046667646
Energy: 1.3876525015418302
Energy: 1.4060027797578218
Energy: 1.389718511730458
Energy: 1.4060027797594266
Energy: 1.4056939138962075
Energy: 1.4873647134870787
Energy: 1.3873811703805745
Energy: 1.487364713484672
Energy: 1.3815415489934397
Energy: 1.407266769762662
Energy: 1.3681143424015638
Energy: 1.4072667697666734
Energy: 1.512552710368266
Energy: 1.4182818586156483
Energy: 1.3734553424184701
Energy: 1.4182818586156483
Energy: 1.5169729737840552
Energy: 1.401591761995608
Energy: 1.38667718210642
Energy: 1.401591761995608
Energy: 1.3912951184139748
Energy: 1.4060184133530498
Energy: 1.3835486713825462
Energy: 1.406018413349038
Energy: 1.3753999392456724
Energy: 1.4675717455120498
Energy: 1.521313667846664
Energy: 1.4675717455104451
Energy: 1.4112319653535057
Energy: 1.488197626486172
Energy: 1.3914060207265453
Energy: 1.4881976264853698
Energy: 1.3742472499435425
Energy: 1.380473445394025
Energy: 1.734889181802276
Energy: 1.3804734453900134
Energy: 1.609968076934087
Energy: 1.405241238203544
Energy: 1.387869671864462
Energy: 1.4052412382019392
Energy: 1.3764253198712133
Energy: 1.396639893131139
Energy: 1.595610979449987
Energy: 1.3966398931351505
Energy: 1.608343151805559
Energy: 1.4634538348756796
Energy: 1.3735723107993492
Energy: 1.4634538348732726
Energy: 1.3976133333582197
Energy: 1.479850115051617
Energy: 1.367592217636642
Energy: 1.479850115062047

minimum gb energy = 1.367592217636642 eV
minimum distance =  2.20467643238569 Angstroms
sigma value = 1


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

Energy: 1.3472860385816143
Energy: 1.3467823143824083
Energy: 1.374222907534077
Energy: 1.3467823143790802
Energy: 1.418533032799356
Energy: 1.3730342939172597
Energy: 1.3352310571032722
Energy: 1.3730342939183693
Energy: 1.3036984241332112
Energy: 1.3469102029306246
Energy: 1.8039389841159186
Energy: 1.346910202935062
Energy: 1.4021028011065666
Energy: 1.4472153753669474
Energy: 1.3184446664534273
Energy: 1.4472153753658383
Energy: 1.3039878546111248
Energy: 1.4795006979019607
Energy: 1.5824083281388115
Energy: 1.47950069790307
Energy: 1.3050074105765983
Energy: 1.3504961642951694
Energy: 1.318187800976118
Energy: 1.3504961642962785
Energy: 1.3040233670008043
Energy: 1.4799940025319185
Energy: 1.3366594775004024
Energy: 1.479994002534137
Energy: 1.2988489786442428
Energy: 1.3509145222171683
Energy: 1.3551701080127883
Energy: 1.3509145222160592
Energy: 1.3462527709136607
Energy: 1.3529279749185286
Energy: 1.3651460649905576
Energy: 1.3529279749174192
Energy: 1.3462333550161232
Energy: 1.3529526765612814
Energy: 1.3545101263673212
Energy: 1.3529526765591133
Energy: 1.2986890273535034
Energy: 1.3511116294953782
Energy: 1.3650907838194872
Energy: 1.3511116294920504
Energy: 1.2994430473822254
Energy: 1.4799568208532903
Energy: 1.319592877694793
Energy: 1.4799568208566183
Energy: 1.30480507301353
Energy: 1.3504298630973661
Energy: 1.3181859966986083
Energy: 1.3504298630940381
Energy: 1.304198896475583
Energy: 1.4795117285843857
Energy: 1.4913059030761964
Energy: 1.479511728588823
Energy: 1.4022721456091638
Energy: 1.4472210608653424
Energy: 1.31816965174358
Energy: 1.447221060863124
Energy: 1.3037008677252517
Energy: 1.3468625153964309
Energy: 1.4247461418879714
Energy: 1.3468625153964309
Energy: 1.4186971685334988
Energy: 1.3730189971942295
Energy: 1.3352655002279523
Energy: 1.3730189971986666
Energy: 1.3472860385827237
Energy: 1.3467823143824083
Energy: 1.622528395121062
Energy: 1.3467823143779711
Energy: 1.4185330328026837
Energy: 1.3730342939172597
Energy: 1.3352310571032722
Energy: 1.3730342939183693
Energy: 1.303698424132102
Energy: 1.3469102029306246
Energy: 1.8039389841159186
Energy: 1.3469102029339526
Energy: 1.4021028011076762
Energy: 1.4472153753669474
Energy: 1.3184446664534273
Energy: 1.4472153753647288
Energy: 1.3039878546111248
Energy: 1.4795006979019607
Energy: 1.5824083281399208
Energy: 1.47950069790307
Energy: 1.305007410583254
Energy: 1.3504961642962785
Energy: 1.3181878009772272
Energy: 1.3504961642929505
Energy: 1.3040233669996948
Energy: 1.4799940025319185
Energy: 1.3200498924308393
Energy: 1.479994002534137

minimum gb energy = 1.2986890273535034 eV
minimum distance =  2.22443129780237 Angstroms
sigma value = 17


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

Energy: 1.3357348667099012
Energy: 1.3355355839024263
Energy: 1.6400542782579903
Energy: 1.3355355839024263
Energy: 1.5485185292741577
Energy: 1.3251707856272326
Energy: 1.30966731376258
Energy: 1.3251707856286037
Energy: 1.3058963432065047
Energy: 1.3194120682385275
Energy: 1.5965823544282138
Energy: 1.3194120682378419
Energy: 1.398402376195879
Energy: 1.2958493908938795
Energy: 1.303953210101009
Energy: 1.2958493908952506
Energy: 1.2954614891919016
Energy: 1.4220509690543506
Energy: 1.6348196382483764
Energy: 1.4220509690543506
Energy: 1.2953278316664223
Energy: 1.3141154827000363
Energy: 1.3214970221289033
Energy: 1.3141154827007218
Energy: 1.3297406798776699
Energy: 1.4015752039809843
Energy: 1.3196794565437462
Energy: 1.4015752039816702
Energy: 1.2910798185514671
Energy: 1.597565406994259
Energy: 1.2986580149569869
Energy: 1.5975654069922023
Energy: 1.3331056162905837
Energy: 1.6027994731155295
Energy: 1.3622255099544374
Energy: 1.6027994731141584
Energy: 1.3198526058809228
Energy: 1.4006868834520032
Energy: 1.3065502291637878
Energy: 1.4006868834506316
Energy: 1.3101077755290915
Energy: 1.3750771035318947
Energy: 1.3010687699656105
Energy: 1.375077103529838
Energy: 1.297346342083757
Energy: 1.3999674915528422
Energy: 1.2884779905370731
Energy: 1.3999674915528422
Energy: 1.292871653518693
Energy: 1.3881029877442013
Energy: 1.308115238613496
Energy: 1.3881029877428301
Energy: 1.316046510868148
Energy: 1.4214252615313754
Energy: 1.3345178179289565
Energy: 1.421425261532061
Energy: 1.2978786217906182
Energy: 1.306169319651462
Energy: 1.3467429215194076
Energy: 1.306169319652148
Energy: 1.3114694674762373
Energy: 1.3203972844385836
Energy: 1.624533299055351
Energy: 1.3203972844378982
Energy: 1.3049568335521533
Energy: 1.3042701986578729
Energy: 1.3073356831776357
Energy: 1.3042701986578729
Energy: 1.2984294212446628
Energy: 1.4568530404304727
Energy: 1.3548208694605943
Energy: 1.4568530404284157
Energy: 1.4883436005014095
Energy: 1.4028724039438032
Energy: 1.309165600207698
Energy: 1.4028724039444889
Energy: 1.3160858627298109
Energy: 1.3200561900605579
Energy: 1.5153359037919596
Energy: 1.3200561900591867
Energy: 1.5427822467748717
Energy: 1.3154273466438473
Energy: 1.3275136429890204
Energy: 1.3154273466424762
Energy: 1.328128124883032
Energy: 1.457431073167874
Energy: 1.3566411030965637
Energy: 1.4574310731651314
Energy: 1.489414557734177
Energy: 1.3121293920043011
Energy: 1.3179791409190622
Energy: 1.3121293920043011
Energy: 1.3087956556960094
Energy: 1.4033724664332556
Energy: 1.4944946960623127
Energy: 1.4033724664318845
Energy: 1.3792288495477931
Energy: 1.336081342466483
Energy: 1.3008073831102598
Energy: 1.3360813424657974
Energy: 1.311210073141133
Energy: 1.4248041018929656
Energy: 1.303904378473078
Energy: 1.4248041018929656
Energy: 1.4808527892990224
Energy: 1.391010292763984
Energy: 1.3033998368439115
Energy: 1.3910102927653554
Energy: 1.3448696505681996
Energy: 1.480113688052361
Energy: 1.304193262268693
Energy: 1.4801136880605887
Energy: 1.3342979996967466
Energy: 1.4209452826334894
Energy: 1.3210551622110076
Energy: 1.4209452826321183
Energy: 1.323710965292266
Energy: 1.3911943083467893
Energy: 1.3363297454861027
Energy: 1.3911943083467893
Energy: 1.303606767665855
Energy: 1.4208356435624592
Energy: 1.3095886793416311
Energy: 1.4208356435624592
Energy: 1.3050584586789864
Energy: 1.3712977381906748
Energy: 1.3072033853885203
Energy: 1.3712977381913602
Energy: 1.3034590269227888
Energy: 1.4011941746336996
Energy: 1.5049399128200704
Energy: 1.4011941746343852
Energy: 1.3670089922619226
Energy: 1.5017626212113073
Energy: 1.322611098302525
Energy: 1.5017626212058224
Energy: 1.2978094490138212
Energy: 1.336886634108335
Energy: 1.3408198180048632
Energy: 1.3368866341090204
Energy: 1.3208584833298944
Energy: 1.4040962877512786
Energy: 1.3273546328605517
Energy: 1.4040962877519643
Energy: 1.3179962162200716
Energy: 1.314360698067503
Energy: 1.2992777746579507
Energy: 1.3143606980688742
Energy: 1.3545936086839827
Energy: 1.4243747066857284
Energy: 1.3122401115785016
Energy: 1.4243747066843573

minimum gb energy = 1.2884779905370731 eV
minimum distance =  2.21464816657366 Angstroms
sigma value = 89


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

Energy: 1.1850618844172156
Energy: 1.1850944947840791
Energy: 1.2471821470455473
Energy: 1.1850944947840791
Energy: 1.1850146337742333
Energy: 1.2250176399613446
Energy: 1.2039718715703125
Energy: 1.2250176399631385
Energy: 1.201086571407811
Energy: 1.4090778136220228
Energy: 1.963987057194374
Energy: 1.4090778136238167
Energy: 1.2129374538489577
Energy: 1.2251715631953592
Energy: 1.2037884369280962
Energy: 1.2251715631953592
Energy: 1.2003141656997038
Energy: 1.3113349971152257
Energy: 1.5919740539719103
Energy: 1.3113349971152257
Energy: 1.2003660494974329
Energy: 1.186127790485134
Energy: 1.1889547753114045
Energy: 1.1861277904869278
Energy: 1.2015135691270087
Energy: 1.4087714486269338
Energy: 1.184798909404018
Energy: 1.4087714486269338
Energy: 1.2019839149893456
Energy: 1.4084294053928625
Energy: 1.2039529215361857
Energy: 1.4084294053910686
Energy: 1.2003854517055983
Energy: 1.3117311960598057
Energy: 1.2125086312033637
Energy: 1.3117311960598057
Energy: 1.2245684522604077
Energy: 1.3103412466476803
Energy: 1.2003125560053114
Energy: 1.3103412466458861
Energy: 1.184476342138871
Energy: 1.2260541480864722
Energy: 1.200588571615118
Energy: 1.2260541480864722
Energy: 1.1845086260677544
Energy: 1.4100302600370658
Energy: 1.2039528414759948
Energy: 1.4100302600370658
Energy: 1.2004106827765033
Energy: 1.1887670786152216
Energy: 1.1994482022023496
Energy: 1.1887670786152216
Energy: 1.2003348472049717
Energy: 1.310931020644799
Energy: 1.2003803675764133
Energy: 1.310931020644799
Energy: 1.1838018009077478
Energy: 1.1888882499070776
Energy: 1.2004270620263837
Energy: 1.1888882499088715

minimum gb energy = 1.1838018009077478 eV
minimum distance =  2.23953274256509 Angstroms
sigma value = 13


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

Energy: 1.1820383493760496
Energy: 1.1426933992040202
Energy: 1.3341860603366509
Energy: 1.142693399214547
Energy: 1.3454145176943437
Energy: 1.1716968199147584
Energy: 1.131033404545807
Energy: 1.1716968199162623
Energy: 1.1444102151377797
Energy: 1.1431366935065492
Energy: 1.3675552971838636
Energy: 1.1431366935103089
Energy: 1.1687998037087526
Energy: 1.1715024272503394
Energy: 1.129113722774265
Energy: 1.171502427251843
Energy: 1.150384173472623
Energy: 1.2346154583098883
Energy: 1.2106269398693987
Energy: 1.2346154583181597
Energy: 1.1573139636918413
Energy: 1.1716042469633348
Energy: 1.1537273657237186
Energy: 1.1716042469723578
Energy: 1.1501040696799594
Energy: 1.2382521713573345
Energy: 1.6735421951408833
Energy: 1.2382521713468075
Energy: 1.1191099204649453
Energy: 1.1724605785099238
Energy: 1.1538667437480545
Energy: 1.1724605785144353
Energy: 1.1502116854802655
Energy: 1.237980583283918
Energy: 1.4220175221179272
Energy: 1.2379805832688793
Energy: 1.357234905297224
Energy: 1.2597561231382468
Energy: 1.1295456778845914
Energy: 1.2597561231457663
Energy: 1.1503106258247244
Energy: 1.2606409329302455
Energy: 1.1571442264449405
Energy: 1.260640932934757
Energy: 1.4980702043644123
Energy: 1.2594800646669466
Energy: 1.1369555065175305
Energy: 1.2594800646692026
Energy: 1.1941282602134362
Energy: 1.1604871681753426
Energy: 1.1670925109894867
Energy: 1.1604871681610562
Energy: 1.5272388848545255
Energy: 1.2601653152234165
Energy: 1.13695468975654
Energy: 1.2601653152294316
Energy: 1.15060949380249
Energy: 1.1418444034722064
Energy: 1.167181150909165
Energy: 1.1418444034669426
Energy: 1.1326165855269594
Energy: 1.2600793609735994
Energy: 1.1264786714742847
Energy: 1.2600793609713434
Energy: 1.1459090648424464
Energy: 1.227045190682167
Energy: 1.1265738327446653
Energy: 1.2270451906769035
Energy: 1.164270311516641
Energy: 1.2338947184555242
Energy: 1.1499542380669325
Energy: 1.233894718460036
Energy: 1.1460329921970396
Energy: 1.235096472162767
Energy: 1.1497106136457802
Energy: 1.2350964721665267
Energy: 1.1460753732833109
Energy: 1.234767102151608
Energy: 1.149754443938254
Energy: 1.2347671021538638
Energy: 1.1642699014709799
Energy: 1.233890325931911
Energy: 1.1499026717185423
Energy: 1.2338903259281515
Energy: 1.145836803351864
Energy: 1.2270125899680275
Energy: 1.1265807851613592
Energy: 1.2270125899672755
Energy: 1.1323455252002026
Energy: 1.2600787226562842
Energy: 1.1264352794961967
Energy: 1.2600787226600438
Energy: 1.1504329019205823
Energy: 1.1419416342249586
Energy: 1.1679056085720023
Energy: 1.1419416342181914
Energy: 1.5272267159672428
Energy: 1.2601986934731517
Energy: 1.1372947097533046
Energy: 1.2601986934633769
Energy: 1.1893207888896904
Energy: 1.160632881392324
Energy: 1.1637049623377649
Energy: 1.1606328813855566
Energy: 1.4980892570347653
Energy: 1.2596067371052266
Energy: 1.137011013950139
Energy: 1.2596067371052266
Energy: 1.1500882874890335
Energy: 1.26060943010718
Energy: 1.1263789296628668
Energy: 1.2606094301049242
Energy: 1.3577164992801825
Energy: 1.2596936657579156
Energy: 1.1295293208923223
Energy: 1.2596936657594193
Energy: 1.1503960748852782
Energy: 1.2377676727261424
Energy: 1.3288887600449986
Energy: 1.2377676727291502
Energy: 1.1190688973149046
Energy: 1.1724972332984178
Energy: 1.1536435106966465
Energy: 1.1724972333021775
Energy: 1.1505537376263908
Energy: 1.2383444899336424
Energy: 1.519587701933618
Energy: 1.2383444899366503
Energy: 1.1571211347598698
Energy: 1.171589006525604
Energy: 1.153712382914739
Energy: 1.171589006515077
Energy: 1.1504814876170468
Energy: 1.2344363224768158
Energy: 1.5002600710867784
Energy: 1.234436322483583
Energy: 1.1684899823592172
Energy: 1.1717047246000551
Energy: 1.1291556280224242
Energy: 1.1717047245955436

minimum gb energy = 1.1190688973149046 eV
minimum distance =  2.25576250168128 Angstroms
sigma value = 37


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

Energy: 1.0869787493407075
Energy: 1.0860012852490255
Energy: 1.059031641499973
Energy: 1.0860012852477319
Energy: 1.1570130071002007
Energy: 1.3803248765698652
Energy: 1.0351484562617168
Energy: 1.3803248765698652
Energy: 1.0515995276425798
Energy: 1.4874177285489643
Energy: 1.7992509406499089
Energy: 1.4874177285489643
Energy: 1.025304698741802
Energy: 1.379652448175372
Energy: 1.0353031487401712
Energy: 1.379652448175372
Energy: 1.033503859590414
Energy: 1.3793699833179116
Energy: 1.025204841831216
Energy: 1.379369983316618
Energy: 1.0380575378512749
Energy: 1.3795475932039694
Energy: 1.0285414422497237
Energy: 1.3795475932039694
Energy: 1.0688178308732637
Energy: 1.8313859548881537
Energy: 1.3537537784083709
Energy: 1.83138595488686
Energy: 1.0330286668220436
Energy: 1.087039631300527
Energy: 1.0868443747553886
Energy: 1.0870396313018207
Energy: 1.0335732042528714
Energy: 1.3795323269660578
Energy: 1.3546971936101166
Energy: 1.3795323269673516
Energy: 1.4205875687964649
Energy: 1.378725677733624
Energy: 1.0287369067638061
Energy: 1.378725677733624
Energy: 1.0689212745959624
Energy: 1.8235516619042609
Energy: 1.0251162933716156
Energy: 1.8235516619029672
Energy: 1.399850795676941
Energy: 1.085600020325134
Energy: 1.0351627619442056
Energy: 1.0856000203238403
Energy: 1.024917884585457
Energy: 1.3792674835073382
Energy: 1.0483907029739636
Energy: 1.3792674835060446
Energy: 1.3537998365413977
Energy: 1.8241829063622979
Energy: 1.0331210610877313
Energy: 1.8241829063622979
Energy: 1.085230944819018
Energy: 1.1425840425087106
Energy: 1.0331773305733332
Energy: 1.1425840425087106
Energy: 1.0854894744842545
Energy: 1.378976448232261
Energy: 1.0351636771253763
Energy: 1.3789764482309672
Energy: 1.0249165623628418
Energy: 1.3789627728792535
Energy: 1.0743327381850918
Energy: 1.3789627728792535
Energy: 1.025075819583985
Energy: 1.8247419867767987
Energy: 1.0330439595435352
Energy: 1.8247419867767987
Energy: 1.033852593600816
Energy: 1.0873714332824866
Energy: 1.0330787009098088
Energy: 1.0873714332837803
Energy: 1.0331777610130766
Energy: 1.3789958568742569
Energy: 1.0249360797866423
Energy: 1.3789958568742569

minimum gb energy = 1.0249165623628418 eV
minimum distance =  2.16689478264623 Angstroms
sigma value = 25


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

Energy: 1.009181416318533
Energy: 0.9486198883106141
Energy: 1.4106872962961732
Energy: 0.9486198883096039
Energy: 1.432829190345737
Energy: 0.9738945246480954
Energy: 0.9499464475216827
Energy: 0.973894524646075
Energy: 0.9447799213229351
Energy: 0.9444481035234599
Energy: 1.2579007838864513
Energy: 0.9444481035244701
Energy: 1.183878133531129
Energy: 1.1976691113352567
Energy: 0.9498037672948595
Energy: 1.197669111336267
Energy: 0.9518826425893503
Energy: 0.97359023692602
Energy: 0.9143021403477337
Energy: 0.9735902369250099
Energy: 0.9134952484796576
Energy: 1.1976016387848967
Energy: 0.9498323161920097
Energy: 1.1976016387848967
Energy: 0.9521675159556621
Energy: 0.9444042770177735
Energy: 1.1852339879781681
Energy: 0.9444042770167633
Energy: 0.9193308086635208
Energy: 1.0099687172538363
Energy: 0.9466821211542479
Energy: 1.009968717251816
Energy: 0.9490737938153226
Energy: 0.9739922372119268
Energy: 1.3757442232047632
Energy: 0.9739922372129369
Energy: 0.9180760972032481
Energy: 0.945525133390034
Energy: 1.0109835213942326
Energy: 0.9455251333910443
Energy: 0.952096291013757
Energy: 0.9445139144869084
Energy: 1.4155973536501656
Energy: 0.9445139144858983
Energy: 1.2318498064137509
Energy: 1.4870404585693808
Energy: 0.9467551557231619
Energy: 1.4870404585683707
Energy: 0.9516561238520652
Energy: 0.9737326962679673
Energy: 1.1655023747946718
Energy: 0.9737326962679673
Energy: 1.2274148650980823
Energy: 1.0529357206589143
Energy: 0.9500658648014326
Energy: 1.0529357206599244
Energy: 0.952290772418083
Energy: 0.9443817928368945
Energy: 0.9132715917918452
Energy: 0.9443817928368945
Energy: 1.2139689506836795
Energy: 1.5762450462528912
Energy: 0.9500362597820962
Energy: 1.5762450462539015
Energy: 0.948955115060179
Energy: 1.0101111639257012
Energy: 0.9252646102023672
Energy: 1.0101111639257012
Energy: 1.1993192097622183
Energy: 0.9738108975846215
Energy: 0.9502267876026873
Energy: 0.9738108975846215
Energy: 1.0116036532529056
Energy: 0.9451511060488347
Energy: 0.919204331222939
Energy: 0.9451511060478245
Energy: 1.4149128850236485
Energy: 1.33199023102662
Energy: 0.9500961283163195
Energy: 1.33199023102662
Energy: 0.9490686357886129
Energy: 1.3538456878845486
Energy: 0.9195638986921699
Energy: 1.3538456878855587
Energy: 0.9443887068680549
Energy: 0.9739427080659971
Energy: 0.9500007529649585
Energy: 0.9739427080649871
Energy: 0.9523101156830089
Energy: 1.051341757374566
Energy: 1.2279996176984034
Energy: 1.051341757374566
Energy: 0.9134313945704147
Energy: 1.6133519572232489
Energy: 0.9504548112414276
Energy: 1.613351957224259
Energy: 0.9501306906528104
Energy: 1.3544154680634
Energy: 1.2280511714634956
Energy: 1.3544154680623897
Energy: 0.9182427056066638
Energy: 1.010330635630581
Energy: 0.9442284044381368
Energy: 1.010330635629571

minimum gb energy = 0.9132715917918452 eV
minimum distance =  2.2626836404415 Angstroms
sigma value = 41


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

Energy: 1.253502847090979
Energy: 0.8856657542605203
Energy: 1.2699867753163283
Energy: 0.8856657542613486
Energy: 1.5993780965049937
Energy: 0.8632345484616442
Energy: 0.8519608978266203
Energy: 0.8632345484608159
Energy: 0.8834857103352252
Energy: 0.8491483121004137
Energy: 1.138469932485256
Energy: 0.8491483121028982
Energy: 1.233335803199668
Energy: 0.8638595319787911
Energy: 0.8517879980192613
Energy: 0.8638595319787911
Energy: 0.8463702654182583
Energy: 1.0888767901327054
Energy: 0.9007302101999097
Energy: 1.0888767901343617
Energy: 1.052079012625758
Energy: 0.8643790230039329
Energy: 0.8517820238365861
Energy: 0.8643790230055892
Energy: 0.8507970043244056
Energy: 1.052779112494742
Energy: 0.9028335202380372
Energy: 1.052779112494742
Energy: 0.8288372824238258
Energy: 0.8835346251481965
Energy: 0.8475395628160138
Energy: 0.8835346251490246
Energy: 0.85468677739459
Energy: 1.2221447155741403
Energy: 1.3792075467114462
Energy: 1.2221447155741403
Energy: 0.8279176554049869
Energy: 0.8491462662207309
Energy: 0.8847455692791221
Energy: 0.8491462662207309
Energy: 0.8507950644964349
Energy: 0.8636520144878479
Energy: 1.4156020012865618
Energy: 0.8636520144895042
Energy: 0.8325771323860217
Energy: 0.8857833959042414
Energy: 1.254269045380482
Energy: 0.8857833959058977
Energy: 0.8550005955046448
Energy: 1.2217034707033165
Energy: 1.5008173909377005
Energy: 1.2217034707041448
Energy: 1.0961128477020163
Energy: 1.2204653115648452
Energy: 0.8848009159912219
Energy: 1.2204653115648452
Energy: 0.8508542678728126
Energy: 0.8635297061728524
Energy: 1.2329288511795389
Energy: 0.8635297061720242
Energy: 1.0935904223748387
Energy: 1.0686741345681885
Energy: 0.8475135909542173
Energy: 1.0686741345690165
Energy: 0.8549995565193356
Energy: 1.2191443818881609
Energy: 1.1355280315294192
Energy: 1.219144381888989
Energy: 1.0907414677322045
Energy: 1.2201636986955686
Energy: 0.8519752253399169
Energy: 1.220163698696397
Energy: 0.8509098255135279
Energy: 0.8834362683517453
Energy: 0.8289283061804934
Energy: 0.883436268350917
Energy: 1.1001781601701992
Energy: 1.4053781245808101
Energy: 0.8546072626459543
Energy: 1.4053781245824666
Energy: 0.8880113631379484
Energy: 1.2190653416911148
Energy: 0.8288883799766558
Energy: 1.219065341691943
Energy: 1.4160015883373156
Energy: 1.5388220950758813
Energy: 0.8520675797046771
Energy: 1.5388220950758813
Energy: 1.256609322871123
Energy: 0.8831329938601884
Energy: 0.8324809905039354
Energy: 0.8831329938593602
Energy: 1.2541164123893058
Energy: 1.4038210061589602
Energy: 0.8546080637324903
Energy: 1.403821006158132
Energy: 0.8879142812809411
Energy: 1.2196221098693982
Energy: 0.8336005979853784
Energy: 1.21962210986857
Energy: 1.2333106757312884
Energy: 1.5380946608391128
Energy: 0.8519098244805428
Energy: 1.5380946608391128
Energy: 0.8509086536125063
Energy: 0.8841290113646416
Energy: 1.0938791675767587
Energy: 0.8841290113671262
Energy: 0.8466334360461935
Energy: 1.2187349050775296
Energy: 0.8544315288658183
Energy: 1.2187349050767013
Energy: 0.8550985373841513
Energy: 1.2198426643407232
Energy: 1.0907393199002173
Energy: 1.2198426643407232
Energy: 0.8287853898059194
Energy: 1.2703859671160624
Energy: 0.8555821577653678
Energy: 1.2703859671168904
Energy: 0.8584584846449981
Energy: 0.8842440898968394
Energy: 1.099928853484036
Energy: 0.8842440898968394
Energy: 0.8327855453720032
Energy: 1.2190643022811758
Energy: 0.8928172185619796
Energy: 1.2190643022803476

minimum gb energy = 0.8279176554049869 eV
minimum distance =  2.23838598596429 Angstroms
sigma value = 15


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

Energy: 1.1394299725662205
Energy: 0.802817015728219
Energy: 0.7707199282251695
Energy: 0.8028170157296222
Energy: 1.4152050543599877
Energy: 0.8015007727364506
Energy: 0.8000463007093652
Energy: 0.8015007727364506
Energy: 0.831249748947601
Energy: 0.79806594362827
Energy: 1.036671265141176
Energy: 0.7980659436303748
Energy: 1.2610149181746753
Energy: 0.8025220944892254
Energy: 0.7999889975681653
Energy: 0.8025220944885239
Energy: 0.7965706281376808
Energy: 1.3836981555286938
Energy: 0.7640553724587533
Energy: 1.3836981555293952
Energy: 1.1024827206336412
Energy: 0.7998712157849874
Energy: 0.7998421348721307
Energy: 0.7998712157842859
Energy: 0.7990027369831637
Energy: 0.9688865021316633
Energy: 0.8226770736863205
Energy: 0.9688865021309616
Energy: 0.9529485561148939
Energy: 0.8147304300939887
Energy: 0.7997350503569203
Energy: 0.814730430093287
Energy: 0.8019867392838137
Energy: 1.390755282869119
Energy: 1.2487075455544505
Energy: 1.390755282867716
Energy: 0.7626726815464282
Energy: 0.7995981803188392
Energy: 0.7970516651718512
Energy: 0.7995981803188392
Energy: 0.7992880455211681
Energy: 0.8002239260099758
Energy: 1.3169825610653456
Energy: 0.800223926011379
Energy: 0.7629028786004433
Energy: 0.7981645223876874
Energy: 0.8320425776447363
Energy: 0.7981645223855827
Energy: 0.8020779114661681
Energy: 1.390096643275211
Energy: 1.4949649471668005
Energy: 1.3900966432773159
Energy: 0.7662214885384168
Energy: 0.8033585298025884
Energy: 1.140082140758104
Energy: 0.8033585298039916
Energy: 0.7992192813502694
Energy: 0.8015630539483309
Energy: 1.4152332126786658
Energy: 0.8015630539462262
Energy: 0.9889673729845119
Energy: 0.7981235752614568
Energy: 0.8318654047642067
Energy: 0.7981235752628602
Energy: 0.8019321402656954
Energy: 1.3895199762049075
Energy: 1.2609290712886072
Energy: 1.3895199762049075
Energy: 0.9884265434035887
Energy: 1.3813511111992565
Energy: 0.7970783651125855
Energy: 1.3813511111985552
Energy: 0.7991966588757685
Energy: 0.7999157282974513
Energy: 1.1019589489153756
Energy: 0.7999157282967497
Energy: 0.9865278310511028
Energy: 0.8000637698331331
Energy: 0.8000009241814375
Energy: 0.8000637698324315
Energy: 0.801930659125194
Energy: 1.1282474808038487
Energy: 0.9330648477611024
Energy: 1.1282474808073568
Energy: 0.9922718586160882
Energy: 1.3862687863414012
Energy: 0.8052129466330147
Energy: 1.3862687863428047
Energy: 0.7991760629006813
Energy: 0.799978100521806
Energy: 0.762684127253288
Energy: 0.7999781005232092
Energy: 1.3176060676124641
Energy: 0.7990301694958415
Energy: 0.7999927010873902
Energy: 0.7990301694944384
Energy: 0.8340016880321025
Energy: 1.1280021223783179
Energy: 0.7647316207554484
Energy: 1.1280021223811243
Energy: 1.2802773632567366
Energy: 1.3879454514444654
Energy: 0.8052996624813479
Energy: 1.38794545144657
Energy: 1.141797254290711
Energy: 1.3782325669181992
Energy: 0.7663416057173215
Energy: 1.3782325669160944
Energy: 1.427504835815699
Energy: 0.9583082236493657
Energy: 0.7998467027259762
Energy: 0.9583082236466233
Energy: 0.8341933499843508
Energy: 1.4097443651515509
Energy: 0.7670885382761147
Energy: 1.4097443651522528
Energy: 1.1149204457890611
Energy: 1.3874472786467384
Energy: 0.805437175316619
Energy: 1.3874472786467384
Energy: 0.7993250653487375
Energy: 1.1162955716424763
Energy: 0.9890799136289603
Energy: 1.1162955716410732
Energy: 1.1018805066386201
Energy: 0.800364936543979
Energy: 0.7998761342397572
Energy: 0.8003649365446804
Energy: 0.8019495764773517
Energy: 1.4099564517483667
Energy: 0.9862101708886496
Energy: 1.409956451749068
Energy: 0.7740227217098375
Energy: 1.128023847770895
Energy: 0.8054092756824328
Energy: 1.1280238477694917
Energy: 0.7862560854074063
Energy: 1.117497804989815
Energy: 0.9923204013143074
Energy: 1.1174978049926212
Energy: 0.7622669968027824
Energy: 0.7998915221837769
Energy: 0.8026100279680773
Energy: 0.7998915221837769
Energy: 0.8021707270185391
Energy: 1.4097173575010726
Energy: 1.3327039302410684
Energy: 1.4097173575010726

minimum gb energy = 0.7622669968027824 eV
minimum distance =  2.19463292354223 Angstroms
sigma value = 85


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

Energy: 1.0780495436738728
Energy: 1.2931379354338455
Energy: 0.7662459216972408
Energy: 1.2931379354338455
Energy: 1.5420597893525374
Energy: 0.7802963989107256
Energy: 0.7355902498042899
Energy: 0.7802963989113342
Energy: 1.0305225670894422
Energy: 0.7795578910204045
Energy: 1.073373114866713
Energy: 0.7795578910204045
Energy: 1.2653504338808526
Energy: 0.7802443290286248
Energy: 0.7357360487041469
Energy: 0.7802443290280164
Energy: 0.7781253092409148
Energy: 0.7334840708487114
Energy: 0.6854293306495186
Energy: 0.7334840708487114
Energy: 1.1232522350211678
Energy: 0.7806318975117765
Energy: 0.7354514749119324
Energy: 0.7806318975129936
Energy: 0.7320332409482271
Energy: 0.927835341239029
Energy: 0.7866633508991772
Energy: 0.9278353412396374
Energy: 0.9804369000211582
Energy: 0.7779461976189723
Energy: 0.735333240100742
Energy: 0.7779461976183638
Energy: 0.7347565509323112
Energy: 0.8816018920039458
Energy: 1.040089227739574
Energy: 0.8816018920039458
Energy: 0.8523020630640673
Energy: 0.9280254609324131
Energy: 0.732810741593523
Energy: 0.9280254609324131
Energy: 0.7350734389177708
Energy: 0.7798490687154416
Energy: 1.1836135133183934
Energy: 0.7798490687148331
Energy: 0.6855584437197263
Energy: 0.7777805826948044
Energy: 0.7789000120363683
Energy: 0.7777805826948044
Energy: 0.7349894428139134
Energy: 0.7536430863909236
Energy: 1.2956230025808055
Energy: 0.753643086391532
Energy: 0.6854909365974484
Energy: 0.7795848740933439
Energy: 1.0311190156288628
Energy: 0.7795848740939524
Energy: 0.7352045596875578
Energy: 0.7804236475249704
Energy: 1.3947265579850594
Energy: 0.7804236475261872
Energy: 0.6879879987735252
Energy: 1.293640452033851
Energy: 1.0787364277180065
Energy: 1.2936404520332423
Energy: 0.7348823311781324
Energy: 0.7535526232313031
Energy: 1.3945387851663134
Energy: 0.7535526232313031
Energy: 0.8835149629920002
Energy: 0.779680736195299
Energy: 1.031189459503753
Energy: 0.7796807361940821
Energy: 0.7351944328106436
Energy: 0.7803271124945228
Energy: 1.2654410644843528
Energy: 0.7803271124957396
Energy: 0.8814986708527023
Energy: 1.3186840336960726
Energy: 0.7788650974470138
Energy: 1.3186840336960726
Energy: 0.7347808779733446
Energy: 0.7537728752950825
Energy: 1.1232782136418626
Energy: 0.7537728752956911
Energy: 0.8802533627369964
Energy: 0.7798985373907104
Energy: 0.7328486934727779
Energy: 0.7798985373913189
Energy: 0.7373139390324743
Energy: 0.7782705364976163
Energy: 0.9797600407608937
Energy: 0.7782705364976163
Energy: 0.8919664886211437
Energy: 1.3151166505025462
Energy: 0.7353947519129461
Energy: 1.3151166505025462
Energy: 0.735044464954502
Energy: 0.7792029058544832
Energy: 0.8525348919127742
Energy: 0.7792029058544832
Energy: 1.1833323725277411
Energy: 1.0306194105120157
Energy: 0.7363404519189353
Energy: 1.0306194105120157
Energy: 0.7808447788943094
Energy: 0.777977008753698
Energy: 0.6854940137583043
Energy: 0.7779770087530894
Energy: 1.185725805524741
Energy: 1.3158212811929753
Energy: 0.735551869106471
Energy: 1.3158212811923669
Energy: 1.0330806655001852
Energy: 0.9034819446496268
Energy: 0.6852150635366113
Energy: 0.9034819446490183
Energy: 1.394794070407847
Energy: 0.9036667121151755
Energy: 0.7364499698476575
Energy: 0.9036667121145668
Energy: 1.0805547551150243
Energy: 1.2834376792736282
Energy: 0.6878699261944331
Energy: 1.2834376792730195
Energy: 1.2976701079259725
Energy: 1.3087101179268712
Energy: 0.7356172904702444
Energy: 1.3087101179268712
Energy: 1.0330880882141695
Energy: 0.903601461853685
Energy: 0.6905599465411216
Energy: 0.903601461852468
Energy: 1.2652799072608203
Energy: 0.9040092260834376
Energy: 0.7362970492008529
Energy: 0.9040092260834376
Energy: 0.7810955739292117
Energy: 1.308622536547038
Energy: 0.8812089037810078
Energy: 1.308622536547038
Energy: 0.9972817438074112
Energy: 1.308999259715139
Energy: 0.735556478539581
Energy: 1.308999259715139
Energy: 0.735017644504142
Energy: 1.0314025893613448
Energy: 0.8802488775152649
Energy: 1.0314025893607364
Energy: 0.9793293026809643
Energy: 0.7786628832384094
Energy: 0.736682249269453
Energy: 0.7786628832396264
Energy: 0.7352197838786511
Energy: 1.3083003594791804
Energy: 0.8919497145590377
Energy: 1.3083003594791804
Energy: 0.700624928582928
Energy: 1.2191860907403955
Energy: 0.7348900396057438
Energy: 1.2191860907403955
Energy: 0.7343522651060912
Energy: 0.9050435898775409
Energy: 1.1708852727971004
Energy: 0.9050435898769323
Energy: 0.6855364459151041
Energy: 0.7785197183841107
Energy: 0.7777800071937457
Energy: 0.7785197183847193
Energy: 0.7354098796242099
Energy: 1.308149204464405
Energy: 1.185697145746842
Energy: 1.308149204464405

minimum gb energy = 0.6852150635366113 eV
minimum distance =  2.19108042032762 Angstroms
sigma value = 113


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

Energy: 0.02043308553243674
Energy: 0.021590437785408985
Energy: 1.177186457178745
Energy: 0.02159043778769587
Energy: 1.1769992364056237
Energy: 0.4278910124238688
Energy: 0.42855087688407134
Energy: 0.4278910124229333
Energy: 0.02043308553243674
Energy: 0.021590437785408985
Energy: 1.1771864604356812
Energy: 0.02159043778769587
Energy: 1.176999236405208
Energy: 0.4278910124238688
Energy: 0.4285508768836555
Energy: 0.4278910124229333
Energy: 0.02043308553243674
Energy: 0.021590437785408985
Energy: 1.1771864589251435
Energy: 0.02159043778769587
Energy: 1.1769992364065593
Energy: 0.4278910124238688
Energy: 0.4285508768836555
Energy: 0.42789101242340105

minimum gb energy = 0.02043308553243674 eV
minimum distance =  2.47852798103955 Angstroms
sigma value = 1