Model name: model_name=EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520013511180878
cohesive_energy=4.422209022875811
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0873157187751997e-19, 2.93528372408604e-19, 3.57363896037066e-19, 4.08974811948108e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96869931311568e-19, 7.01191001693466e-19, 7.044498289670219e-19, 7.067121023742299e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.06510228118346e-19, 7.0381216266669e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.8610009997782e-19, 6.759551175313319e-19, 6.630079281519779e-19, 6.4671058743093e-19, 6.26398192065078e-19, 6.012472232645459e-19, 5.702306858069399e-19, 5.320668383850599e-19, 4.85127869538762e-19, 4.2733896052701597e-19, 3.5601005678133595e-19, 2.67624380590092e-19, 1.575136698947982e-19, 1.9375923123279e-20, -1.554396522420852e-19, -3.79065378544596e-19, -6.689087446949999e-19, -1.0506737908678858e-18, -1.5635161118215798e-18, -2.26921083203322e-18, -3.2698822923305998e-18, -4.74622397349624e-18, -6.971903666383679e-18]
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: -0.0272614017519761 eV

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

Energy: 0.01798927928729782
Energy: 0.01828975962112443
Energy: 0.9475967615237236
Energy: 0.15504109718650408
Energy: 0.018289759621785952
Energy: 1.2719758378777128
Energy: 0.15504109718650408
Energy: 1.2719758378796606
Energy: 0.947596761523062
Energy: 0.15504109718716558
Energy: 0.01798927928729782
Energy: 0.01828975962112443
Energy: 0.15504109718716558
Energy: 1.2719758378796606
Energy: 0.018289759621785952
Energy: 1.2719758378783377

minimum gb energy = 0.01798927928729782 eV
minimum distance =  2.48111785218399 Angstroms
sigma value = 1


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

Energy: 1.7889210891402925
Energy: 1.1557878262106371
Energy: 1.2313401624110494
Energy: 1.227906219229614
Energy: 1.2114129134201836
Energy: 1.2793334415837228
Energy: 1.183570859986779
Energy: 1.279333441584525
Energy: 1.2298675621421589
Energy: 1.228056389379921
Energy: 1.1814625487303794
Energy: 1.228056389379921
Energy: 1.187201754464273
Energy: 1.3409502754523122
Energy: 1.183187337240899
Energy: 1.3409502754563234
Energy: 1.666418448642606
Energy: 1.181448842305479
Energy: 1.181078551608669
Energy: 1.1814488423062812
Energy: 1.2634899478570931
Energy: 1.257792144507166
Energy: 1.1819658871007435
Energy: 1.2577921445087707
Energy: 1.255226217620182
Energy: 1.3116755094561148
Energy: 1.2534169389677439
Energy: 1.3116755094577195
Energy: 1.2537272267492672
Energy: 1.311506255007617
Energy: 1.296633885353107
Energy: 1.3115062550060128
Energy: 1.2793792661192112
Energy: 1.4077052398805452
Energy: 1.2795768184300829
Energy: 1.407705239879743
Energy: 1.294895071092752
Energy: 1.3697743789669332
Energy: 1.2801394109848097
Energy: 1.3697743789661312
Energy: 1.2757144418308342
Energy: 1.407421851575071
Energy: 1.2798409423602026
Energy: 1.4074218515742687
Energy: 1.2546000724916324
Energy: 1.405261256997557
Energy: 1.296431649929773
Energy: 1.4052612569983594
Energy: 1.278479791964552
Energy: 1.3115900994884944
Energy: 1.2103969730488764
Energy: 1.311590099489297
Energy: 1.263325425341139
Energy: 1.3110951625367906
Energy: 1.2556975891105897
Energy: 1.3110951625359883
Energy: 1.2110610995937205
Energy: 1.1811564204010296
Energy: 1.181281064400043
Energy: 1.1811564203978204
Energy: 1.2250303970589091
Energy: 1.1815569097219796
Energy: 1.182464547102121
Energy: 1.1815569097219796
Energy: 1.2305343943935625
Energy: 1.2274856738736313
Energy: 1.1535591033391421
Energy: 1.227485673872829
Energy: 1.1831571673058245
Energy: 1.1867252439145763
Energy: 1.2125907939153435
Energy: 1.1867252439129716
Energy: 1.1817707380548608
Energy: 1.2282744682670965
Energy: 1.2298833163383418
Energy: 1.2282744682662943
Energy: 1.2632063338283606
Energy: 1.1858086870909565
Energy: 1.1859225489968508
Energy: 1.1858086870885496
Energy: 1.1818902900812924
Energy: 1.1810407888749235
Energy: 1.2615107410006896
Energy: 1.1810407888741208
Energy: 1.1825016078294546
Energy: 1.182444095833201
Energy: 1.263777496564355
Energy: 1.1824440958323987
Energy: 1.2529654219104014
Energy: 1.3110896265316108
Energy: 1.2526044303506914
Energy: 1.3110896265316108
Energy: 1.2971529576601275
Energy: 1.3112561603707351
Energy: 1.2551844494591078
Energy: 1.3112561603683281
Energy: 1.279331625164605
Energy: 1.4051847762979093
Energy: 1.279074700150974
Energy: 1.405184776297107
Energy: 1.2816999495618566
Energy: 1.403996832667966
Energy: 1.2974148580653893
Energy: 1.403996832667966
Energy: 1.279758063970413
Energy: 1.404572167486366
Energy: 1.2753593735004665
Energy: 1.4045721674847615
Energy: 1.297772001736115
Energy: 1.4092768107285005
Energy: 1.2859262416714379
Energy: 1.4092768107301052
Energy: 1.209874069389284
Energy: 1.3114914034194374
Energy: 1.2792847595645414
Energy: 1.3114914034202396
Energy: 1.2558122369086064
Energy: 1.3114114020369532
Energy: 1.2633240476694556
Energy: 1.3114114020385579
Energy: 1.18046653790865
Energy: 1.1808095803082383
Energy: 1.2112068054890115
Energy: 1.1808095803114478
Energy: 1.1819817810106796
Energy: 1.1812691571675908
Energy: 1.2266299147092528
Energy: 1.1812691571699978
Energy: 1.1526628974871844
Energy: 1.2273476366963934
Energy: 1.2320992009959788
Energy: 1.2273476366939866

minimum gb energy = 1.1526628974871844 eV
minimum distance =  2.20175797976685 Angstroms
sigma value = 1


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

Energy: 2.0201952936037464
Energy: 1.2096560477491756
Energy: 1.2918353134141691
Energy: 1.2906575485635414
Energy: 1.2800785812206907
Energy: 1.342844006091675
Energy: 1.2414374657889349
Energy: 1.3428440060971636
Energy: 1.290752104792186
Energy: 1.2912021815173884
Energy: 1.2420711397332023
Energy: 1.2912021815137296
Energy: 1.2478289608901474
Energy: 1.412851117637639
Energy: 1.2414346579253213
Energy: 1.4128511176449572
Energy: 1.2418185287098784
Energy: 1.2414248737903844
Energy: 1.2417920302316297
Energy: 1.241424873794958
Energy: 1.3386220763760603
Energy: 1.242512560346996
Energy: 1.241058798407904
Energy: 1.2425125603506548
Energy: 1.329830132017167
Energy: 1.3937987383876724
Energy: 1.327194323744828
Energy: 1.3937987383830985
Energy: 1.328479572094056
Energy: 1.395949860844515
Energy: 1.3713482933527406
Energy: 1.3959498608399412
Energy: 1.3267615839449087
Energy: 1.4865870988913248
Energy: 1.3457413680770594
Energy: 1.4865870988830923
Energy: 1.3731596921705758
Energy: 1.454699959706963
Energy: 1.3277518721343124
Energy: 1.4546999597097072
Energy: 1.2786252408608663
Energy: 1.393966992908795
Energy: 1.3643587790292893
Energy: 1.3939669929069654
Energy: 1.3281068216391994
Energy: 1.3939888975281969
Energy: 1.3387182702440665
Energy: 1.3939888975245378
Energy: 1.242123800588787
Energy: 1.2411301968376176
Energy: 1.2792078859200222
Energy: 1.2411301968385324
Energy: 1.2419132982982395
Energy: 1.2415075804178315
Energy: 1.2887587012391684
Energy: 1.2415075804242348
Energy: 1.2052105673880094
Energy: 1.2903325529654484
Energy: 1.2943544981286454
Energy: 1.2903325529690657
Energy: 1.279700566632614
Energy: 1.2478438348231065
Energy: 1.2417090535456832
Energy: 1.2478438348221916
Energy: 1.2906905934804256
Energy: 1.2916342256238484
Energy: 1.260153475994245
Energy: 1.2916342256265927
Energy: 1.2469693997053988
Energy: 1.2478267849661067
Energy: 1.3379611483527893
Energy: 1.2478267849661067
Energy: 1.2416966046547324
Energy: 1.2416707508903182
Energy: 1.2429536596062882
Energy: 1.2416707508894036
Energy: 1.3385460538197613
Energy: 1.242171646694704
Energy: 1.2424284355949384
Energy: 1.242171646694704
Energy: 1.326877945445389
Energy: 1.393879334672087
Energy: 1.3256286149785892
Energy: 1.3938793346702572
Energy: 1.3285268268525021
Energy: 1.3941328550341119
Energy: 1.3723318453618263
Energy: 1.3941328550322825
Energy: 1.327377608309998
Energy: 1.4874345921304595
Energy: 1.3448797883335166
Energy: 1.4874345921322891
Energy: 1.3725173432764128
Energy: 1.488223812423729
Energy: 1.3587289077742557
Energy: 1.4882238124209843
Energy: 1.2787532976100966
Energy: 1.3943165492808225
Energy: 1.3657699796654088
Energy: 1.394316549278993
Energy: 1.3281690078169424
Energy: 1.3945824485544838
Energy: 1.339164887429107
Energy: 1.3945824485645462
Energy: 1.2408263514855524
Energy: 1.2406715255674434
Energy: 1.2812853827835733
Energy: 1.2406715255646994
Energy: 1.2420039650001495
Energy: 1.2411063740520856
Energy: 1.289072865838095
Energy: 1.2411063740548298
Energy: 1.2044090587850327
Energy: 1.290798924185852
Energy: 1.2967607254801745
Energy: 1.2907989241821929

minimum gb energy = 1.2044090587850327 eV
minimum distance =  2.20311360994474 Angstroms
sigma value = 25


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

Energy: 1.9313846368225627
Energy: 1.2667101476117066
Energy: 1.3604444341184225
Energy: 1.3602361634939357
Energy: 1.3617466926446005
Energy: 1.410293470525079
Energy: 1.3096161740925785
Energy: 1.4102934705240158
Energy: 1.3594917424095987
Energy: 1.3610264030824732
Energy: 1.3103177157670696
Energy: 1.3610264030824732
Energy: 1.3180469395021404
Energy: 1.4106373544102677
Energy: 1.310272159044843
Energy: 1.4106373544102677
Energy: 1.3091379357497157
Energy: 1.3097064791913204
Energy: 1.3110896323256562
Energy: 1.3097064791902573
Energy: 1.4283728294648552
Energy: 1.3106544655367451
Energy: 1.30976193509489
Energy: 1.3106544655367451
Energy: 1.4064547109275702
Energy: 1.4940679627284683
Energy: 1.4050105731814233
Energy: 1.4940679627295317
Energy: 1.407839457027886
Energy: 1.4963077234097948
Energy: 1.460757081817164
Energy: 1.4963077234097948
Energy: 1.4075726489466835
Energy: 1.4942988801333883
Energy: 1.3646198542448398
Energy: 1.494298880135515
Energy: 1.4283442534592892
Energy: 1.494322421702185
Energy: 1.3092740186386633
Energy: 1.4943224217011215
Energy: 1.2565285045971066
Energy: 1.309766981895276
Energy: 1.3115615321219325
Energy: 1.3097669818942126
Energy: 1.3597681652258757
Energy: 1.309396371861358
Energy: 1.310391012126871
Energy: 1.3093963718602946
Energy: 1.3597070977222483
Energy: 1.3598103236137624
Energy: 1.2588893368981289
Energy: 1.3598103236137624
Energy: 1.3100028636323742
Energy: 1.3179314696354973
Energy: 1.3612238908514585
Energy: 1.3179314696354973
Energy: 1.335562809493604
Energy: 1.361066887595363
Energy: 1.3611058746054499
Energy: 1.3610668875964267
Energy: 1.4668284662225413
Energy: 1.3178615022234126
Energy: 1.3177761056780828
Energy: 1.317861502224476
Energy: 1.3111922258403939
Energy: 1.3092810245203832
Energy: 1.3101354186585352
Energy: 1.30928102452251
Energy: 1.3119505769587148
Energy: 1.3092862626839261
Energy: 1.4287882316936493
Energy: 1.3092862626839261
Energy: 1.4050732468363911
Energy: 1.494179726946187
Energy: 1.4087453555439295
Energy: 1.4941797269451236
Energy: 1.462161592013097
Energy: 1.4945547721993284
Energy: 1.4275796777693903
Energy: 1.4945547721982648
Energy: 1.363356347158424
Energy: 1.4942323647955413
Energy: 1.4085486836737766
Energy: 1.4942323647955413
Energy: 1.3611269107799866
Energy: 1.493998586394215
Energy: 1.4286420366460828
Energy: 1.493998586394215
Energy: 1.3101181992634152
Energy: 1.309598120941444
Energy: 1.257511821120524
Energy: 1.3095981209403804
Energy: 1.310447775047996
Energy: 1.3093842182389919
Energy: 1.2576196440288492
Energy: 1.3093842182379283
Energy: 1.2589437965607724
Energy: 1.3630634226040466
Energy: 1.36693616500268
Energy: 1.36306342260511

minimum gb energy = 1.2565285045971066 eV
minimum distance =  2.20141534999428 Angstroms
sigma value = 9


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

Energy: 1.8014763180169502
Energy: 1.3271853961784568
Energy: 1.435983928859023
Energy: 1.435596091150907
Energy: 1.5117606611692946
Energy: 1.4792774865066622
Energy: 1.3920040150609179
Energy: 1.4792774865079308
Energy: 1.43551084722288
Energy: 1.436293482441534
Energy: 1.4414599526918834
Energy: 1.4362934824377285
Energy: 1.402286248832923
Energy: 1.4801468169808165
Energy: 1.3918991583135925
Energy: 1.4801468169808165
Energy: 1.437310892145712
Energy: 1.3909233870852007
Energy: 1.3938010373865029
Energy: 1.390923387083932
Energy: 1.5446795424586826
Energy: 1.392355650157973
Energy: 1.3911584545374212
Energy: 1.392355650157973
Energy: 1.4693336783825635
Energy: 1.5827399333981667
Energy: 1.4391019802749387
Energy: 1.5827399333994352
Energy: 1.3930149147089281
Energy: 1.584713401716967
Energy: 1.5441061553421862
Energy: 1.5847134017156985
Energy: 1.3907128336182464
Energy: 1.391485110094461
Energy: 1.3110027724957845
Energy: 1.391485110094461
Energy: 1.3916808643781977
Energy: 1.3916879981931096
Energy: 1.311106324372778
Energy: 1.3916879981931096
Energy: 1.3114618706429548
Energy: 1.435895977403907
Energy: 1.4358826665611684
Energy: 1.4358959774001017
Energy: 1.4683100800939266
Energy: 1.401233849427433
Energy: 1.4373316709420085
Energy: 1.401233849427433
Energy: 1.4385758381788576
Energy: 1.4353228703293135
Energy: 1.4333809424582653
Energy: 1.435322870328045
Energy: 1.4395784083004284
Energy: 1.4019609092142062
Energy: 1.5710157390117496
Energy: 1.4019609092154746
Energy: 1.4374081183885399
Energy: 1.3908060249687941
Energy: 1.3910275948570157
Energy: 1.3908060249700627
Energy: 1.544026951281543
Energy: 1.391271167017169
Energy: 1.3908920214812837
Energy: 1.3912711670159004
Energy: 1.468377901193631
Energy: 1.5834119981623158
Energy: 1.4391551374283533
Energy: 1.58341199815851
Energy: 1.4687841075670212
Energy: 1.5812022220462454
Energy: 1.5473015187847248
Energy: 1.581202222044977
Energy: 1.3895363911312517
Energy: 1.3916877041503584
Energy: 1.311265530240736
Energy: 1.3916877041503584
Energy: 1.3916328843992645
Energy: 1.391015236608197
Energy: 1.3108961494645046
Energy: 1.3910152366094657
Energy: 1.3113794006311654
Energy: 1.4402947302395774
Energy: 1.4403674906201414
Energy: 1.440294730240846

minimum gb energy = 1.3108961494645046 eV
minimum distance =  2.21012108584005 Angstroms
sigma value = 25


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

Energy: 1.618817970417997
Energy: 1.3882212170325479
Energy: 1.5223940017370254
Energy: 1.5212756323771872
Energy: 1.5320530820640619
Energy: 1.4983266378091986
Energy: 1.5219607663616044
Energy: 1.4983266378076296
Energy: 1.522003802309841
Energy: 1.5224743007896675
Energy: 1.5183263669193512
Energy: 1.5224743007896675
Energy: 1.526303887617117
Energy: 1.49766401065441
Energy: 1.416452101684186
Energy: 1.49766401065441
Energy: 1.4918330211603414
Energy: 1.4956804094068796
Energy: 1.496200758175486
Energy: 1.4956804094068796
Energy: 1.3771269998709974
Energy: 1.497559224875279
Energy: 1.4164848250969235
Energy: 1.497559224875279
Energy: 1.6095984395724776
Energy: 1.4972288954632522
Energy: 1.4935321852617665
Energy: 1.4972288954648212
Energy: 1.3684373971071675
Energy: 1.592509066704276
Energy: 1.417289109606096
Energy: 1.5925090667058448
Energy: 1.522325698757482
Energy: 1.5223978812795977
Energy: 1.672720768934781
Energy: 1.5223978812780292
Energy: 1.5231855509378494
Energy: 1.522546428007174
Energy: 1.6745500257317856
Energy: 1.522546428007174
Energy: 1.5196087929665782
Energy: 1.5215601358677375
Energy: 1.526212085298095
Energy: 1.5215601358693063
Energy: 1.524626782945444
Energy: 1.525386148873335
Energy: 1.5244590764098762
Energy: 1.525386148871766
Energy: 1.4181229582468675
Energy: 1.5938725687234723
Energy: 1.4919029881235424
Energy: 1.5938725687219033
Energy: 1.4966306616539502
Energy: 1.4992265362946957
Energy: 1.3765598036552622
Energy: 1.4992265362931272
Energy: 1.4950260530346606
Energy: 1.4984869185617842
Energy: 1.6061387760177654
Energy: 1.4984869185602154
Energy: 1.4164618408026746
Energy: 1.5954150854383549
Energy: 1.6073183853285007
Energy: 1.5954150854399238
Energy: 1.6720377115084166
Energy: 1.5258364522731855
Energy: 1.5245480025614497
Energy: 1.5258364522731855

minimum gb energy = 1.3684373971071675 eV
minimum distance =  2.21944763771005 Angstroms
sigma value = 17


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

Energy: 2.1248554512838456
Energy: 1.5769978727660388
Energy: 1.6549466069982404
Energy: 1.6548583763589932
Energy: 1.5168615945687627
Energy: 1.5147725949218969
Energy: 1.6805160491051485
Energy: 1.5147725949218969
Energy: 1.4928055596547074
Energy: 1.4916084593932917
Energy: 1.6540932285078982
Energy: 1.4916084593950687
Energy: 1.4915199426813495
Energy: 1.4910347203020666
Energy: 1.5125088810664036
Energy: 1.4910347203020666
Energy: 1.5814093161586698
Energy: 1.6397781275661247
Energy: 1.5579439019991173
Energy: 1.6397781275670131
Energy: 1.490863505670347
Energy: 1.6422035598444455
Energy: 1.5783677481309915
Energy: 1.6422035598444455
Energy: 1.5608094435395563
Energy: 1.4905310037039916
Energy: 1.494119249034047
Energy: 1.49053100370488
Energy: 1.7405465058019718
Energy: 1.4901734866214447
Energy: 1.4903385190502942
Energy: 1.4901734866223333
Energy: 1.6606518549588025
Energy: 1.6543744488685912
Energy: 1.6545514609121381
Energy: 1.6543744488685912
Energy: 1.6570223861251185
Energy: 1.6578605846598644
Energy: 1.6732991679545337
Energy: 1.6578605846589758
Energy: 1.5773927017534066
Energy: 1.4879484089882862
Energy: 1.4883093844910529
Energy: 1.4879484089873976
Energy: 1.6995645391348895
Energy: 1.4882956664708222
Energy: 1.487912118299759
Energy: 1.4882956664708222
Energy: 1.5629844947718607
Energy: 1.487431439307518
Energy: 1.4869974955085028
Energy: 1.4874314393057413
Energy: 1.5620027355828503
Energy: 1.511688533546623
Energy: 1.450723979054943
Energy: 1.5116885335457344
Energy: 1.6625283123957308
Energy: 1.6548374308345255
Energy: 1.7432580280043202
Energy: 1.6548374308345255
Energy: 1.652712213556446
Energy: 1.6532089201432807
Energy: 1.7395392620767707
Energy: 1.6532089201450577
Energy: 1.6571167013042003
Energy: 1.4909419408150189
Energy: 1.4908890069404495
Energy: 1.4909419408141307
Energy: 1.6571757790945407
Energy: 1.4909191439024903
Energy: 1.488952741092469
Energy: 1.4909191439016019
Energy: 1.4908249447381565
Energy: 1.6406207200293699
Energy: 1.5804790281516363
Energy: 1.6406207200284815
Energy: 1.5526389065660837
Energy: 1.6424291884080606
Energy: 1.5796054698549544
Energy: 1.6424291884080606
Energy: 1.4910003509480636
Energy: 1.4908268020958728
Energy: 1.8354179214762978
Energy: 1.4908268020958728
Energy: 1.4916205756281196
Energy: 1.4929978629711655
Energy: 1.562358119001842
Energy: 1.492997862970277
Energy: 1.6528085388261984
Energy: 1.658855075370564
Energy: 1.6524397911203188
Energy: 1.658855075370564
Energy: 1.655089656072078
Energy: 1.6538545321502625
Energy: 1.6521489933160134
Energy: 1.6538545321511513
Energy: 1.4527023449396808
Energy: 1.4866371134013032
Energy: 1.6620125389623897
Energy: 1.4866371134013032
Energy: 1.487637943111694
Energy: 1.4882210706737373
Energy: 1.5781863341369415
Energy: 1.4882210706737373
Energy: 1.4510226274743818
Energy: 1.5712224692613406
Energy: 1.6066511623412367
Energy: 1.5712224692604524
Energy: 1.4891565692223905
Energy: 1.4883683493684088
Energy: 1.5650491159462305
Energy: 1.4883683493675202
Energy: 1.491132509276229
Energy: 1.514957127768504
Energy: 1.5633638287780447
Energy: 1.514957127770241
Energy: 1.7386550711957605
Energy: 1.6532449932792825
Energy: 1.6528866045942257
Energy: 1.6532449932801712

minimum gb energy = 1.450723979054943 eV
minimum distance =  2.19264608049839 Angstroms
sigma value = 53


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

Energy: 1.9303485734910324
Energy: 1.3968270763483135
Energy: 1.5779435845397511
Energy: 1.5769657952634735
Energy: 1.7465862671143482
Energy: 1.5652600025843917
Energy: 1.5634087444526852
Energy: 1.5652600025843917
Energy: 1.563934568382533
Energy: 1.5649772916673321
Energy: 1.60721431235486
Energy: 1.5649772916632412
Energy: 1.565583643680214
Energy: 1.481417881485153
Energy: 1.5618487394089282
Energy: 1.4814178814831076
Energy: 1.5866457182979767
Energy: 1.4810157448432206
Energy: 1.3677301385098521
Energy: 1.4810157448432206
Energy: 1.5630592850818106
Energy: 1.4819040710445897
Energy: 1.3680194784714659
Energy: 1.4819040710425442
Energy: 1.7450316876641905
Energy: 1.563032065574452
Energy: 1.5632792057434328
Energy: 1.5630320655724064
Energy: 1.7443981889310967
Energy: 1.5613191886822055
Energy: 1.56122020902141
Energy: 1.5613191886842508
Energy: 1.5632334633718168
Energy: 1.564997569859419
Energy: 1.60939735720528
Energy: 1.564997569859419
Energy: 1.5616104246064053
Energy: 1.5630241973120627
Energy: 1.563718879442091
Energy: 1.5630241973141084
Energy: 1.5892203491526278
Energy: 1.482655520538484
Energy: 1.3682310801262259
Energy: 1.482655520534393
Energy: 1.5650377305460768
Energy: 1.4808125249989845
Energy: 1.3676825827642851
Energy: 1.480812524996939
Energy: 1.7449844508647085
Energy: 1.5624655738030482
Energy: 1.5600276254504504
Energy: 1.5624655738030482

minimum gb energy = 1.3676825827642851 eV
minimum distance =  2.22454685330505 Angstroms
sigma value = 9


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

Energy: 1.8841330116233455
Energy: 1.6423896784534249
Energy: 1.7430742877526895
Energy: 1.739045877072237
Energy: 1.4857783988078994
Energy: 1.477085265399657
Energy: 1.7346400920847682
Energy: 1.4770852653981428
Energy: 1.4782136616125965
Energy: 1.4784140231022755
Energy: 1.7517373008814348
Energy: 1.4784140231022755
Energy: 1.4778657496675873
Energy: 1.4787025306799135
Energy: 1.8115625895333343
Energy: 1.4787025306791561
Energy: 1.4811477884687099
Energy: 1.4766139648414167
Energy: 1.8022083604206005
Energy: 1.4766139648421739
Energy: 1.5122523311757068
Energy: 1.4772527497302828
Energy: 1.800992832815807
Energy: 1.4772527497317967
Energy: 1.7331078175060934
Energy: 1.710872396510745
Energy: 1.7387888033195527
Energy: 1.710872396510745
Energy: 1.7342994070280853
Energy: 1.709126171652689
Energy: 1.7101949631063826
Energy: 1.7091261716542032
Energy: 1.5643176383417037
Energy: 1.651550724922329
Energy: 1.5611122673236746
Energy: 1.651550724922329
Energy: 1.4663655682273025
Energy: 1.5633726105743617
Energy: 1.7138560227456392
Energy: 1.5633726105736045
Energy: 1.551497476750081
Energy: 1.5512267109998028
Energy: 1.620154858614705
Energy: 1.5512267109998028
Energy: 1.5533900509744973
Energy: 1.5774865160561387
Energy: 1.8440321673508364
Energy: 1.5774865160531104
Energy: 1.7355080518171986
Energy: 1.5524229095406181
Energy: 1.5548099066172723
Energy: 1.5524229095406181
Energy: 1.734820051936718
Energy: 1.5530247228020873
Energy: 1.553855769048014
Energy: 1.5530247228036012
Energy: 1.7112728590384916
Energy: 1.5649501684872302
Energy: 1.5703102167733045
Energy: 1.564950168484202
Energy: 1.6544146391000052
Energy: 1.6429691722194928
Energy: 1.5675675427853986
Energy: 1.6429691722210074
Energy: 1.7104186590896988
Energy: 1.6454301713777204
Energy: 1.6076750508737203
Energy: 1.6454301713769635
Energy: 1.710070151756088
Energy: 1.7131098988047937
Energy: 1.8371736254542599
Energy: 1.7131098988070648
Energy: 1.734532257469032
Energy: 1.7098838149839393
Energy: 1.4939814432502798
Energy: 1.7098838149846962
Energy: 1.7558096116931552
Energy: 1.4787964400156304
Energy: 1.4784068004306445
Energy: 1.4787964400148734
Energy: 1.7348633864056082
Energy: 1.4779912878543737
Energy: 1.4786009598343641
Energy: 1.4779912878528596
Energy: 1.802058061159712
Energy: 1.476379721517708
Energy: 1.4779447691871928
Energy: 1.476379721517708
Energy: 1.8022276437103586
Energy: 1.477291953331149
Energy: 1.4788602052755244
Energy: 1.4772919533334203
Energy: 1.7416179141963901
Energy: 1.7105225746470325
Energy: 1.7330747167429372
Energy: 1.7105225746470325
Energy: 1.711622189221904
Energy: 1.7093294170567
Energy: 1.7333840704634311
Energy: 1.709329417057457
Energy: 1.563524777055487
Energy: 1.7179441577339285
Energy: 1.5547007039059397
Energy: 1.7179441577324144
Energy: 1.7121376093468583
Energy: 1.563771867652191
Energy: 1.4656264252427544
Energy: 1.5637718676506767
Energy: 1.6211361336041124
Energy: 1.5522810438192727
Energy: 1.5533128830734464
Energy: 1.5522810438223007
Energy: 1.8393518562509779
Energy: 1.556983376679213
Energy: 1.552886820638562
Energy: 1.556983376679213
Energy: 1.5550176677078524
Energy: 1.5516232030224264
Energy: 1.7337780830833882
Energy: 1.5516232030231834
Energy: 1.5528983400410794
Energy: 1.5530696547510214
Energy: 1.7506289796825978
Energy: 1.5530696547495075
Energy: 1.5525539210577533
Energy: 1.5664557398259713
Energy: 1.6716987434351689
Energy: 1.5664557398259713
Energy: 1.5648300674417779
Energy: 1.6423234389735546
Energy: 1.6556965146362272
Energy: 1.6423234389735546
Energy: 1.5530769068844592
Energy: 1.640910910550692
Energy: 1.6193394753904355
Energy: 1.6409109105522064
Energy: 1.84654250276667
Energy: 1.7117781562945262
Energy: 1.7094668237449744
Energy: 1.7117781562937688

minimum gb energy = 1.4656264252427544 eV
minimum distance =  2.21949296787475 Angstroms
sigma value = 73


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

Energy: 1.9969017524922599
Energy: 1.6051534647523882
Energy: 1.646588540269247
Energy: 1.6432625156196752
Energy: 1.4866946823648424
Energy: 1.7752094009847397
Energy: 1.686196887989127
Energy: 1.7752094009847397
Energy: 1.5034814831621452
Energy: 1.5042153914178802
Energy: 1.7073583745900947
Energy: 1.5042153914178802
Energy: 1.5034825217239751
Energy: 1.5042957668914807
Energy: 1.686340461215465
Energy: 1.5042957668926817
Energy: 1.506011494808063
Energy: 1.5057757659601276
Energy: 1.7695921918109905
Energy: 1.5057757659625026
Energy: 1.6073964542370676
Energy: 1.5056147349219902
Energy: 1.7686920191222202
Energy: 1.505614734919588
Energy: 1.5647886541294838
Energy: 1.6897043554333677
Energy: 1.7278695845444458
Energy: 1.6897043554369713
Energy: 1.5635250773682767
Energy: 1.686732041965967
Energy: 1.6864071617937682
Energy: 1.686732041965967
Energy: 1.5794468849115233
Energy: 1.7218140720906696
Energy: 1.7174006588928552
Energy: 1.721814072088267
Energy: 1.5481306346547776
Energy: 1.4648816570425536
Energy: 1.6835890821101225
Energy: 1.4648816570437546
Energy: 1.5793440328541994
Energy: 1.4916589813952754
Energy: 1.493355227413612
Energy: 1.491658981394074
Energy: 1.5774531876206412
Energy: 1.5773195083744378
Energy: 1.7775131716722985
Energy: 1.57731950837684
Energy: 1.713554764673788
Energy: 1.4915574505815623
Energy: 1.5689416717615992
Energy: 1.4915574505827638
Energy: 1.7053469811949178
Energy: 1.5698777044905143
Energy: 1.5711683520174282
Energy: 1.5698777044893133
Energy: 1.7332452691820552
Energy: 1.5359192787829234
Energy: 1.5373418028710082
Energy: 1.5359192787853257
Energy: 1.7688321574546453
Energy: 1.5376044518182213
Energy: 1.5369187068043981
Energy: 1.5376044518218246
Energy: 1.7680178432484377
Energy: 1.8108891198340964
Energy: 1.5733658041931127
Energy: 1.8108891198352974
Energy: 1.6970863510342262
Energy: 1.6982166549155548
Energy: 1.5637229805053696
Energy: 1.6982166549155548
Energy: 1.6549724716261789
Energy: 1.655429251237888
Energy: 1.5643974326246475
Energy: 1.6554292512390891
Energy: 1.6542056705187478
Energy: 1.6160429377991072
Energy: 1.6520552175582128
Energy: 1.6160429377979062
Energy: 1.6544613407860684
Energy: 1.6155301726166804
Energy: 1.550791019147007
Energy: 1.6155301726154794
Energy: 1.7980904948533833
Energy: 1.6439838985974449
Energy: 1.6434300715013852
Energy: 1.6439838985962438

minimum gb energy = 1.4648816570425536 eV
minimum distance =  2.2023152283738 Angstroms
sigma value = 7


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

Energy: 1.9208413872290242
Energy: 1.5766983821964127
Energy: 1.6440418183989012
Energy: 1.6425773707568072
Energy: 1.4889720204127206
Energy: 1.6332450604770068
Energy: 1.768292081725512
Energy: 1.6332450604761577
Energy: 1.4949363735843333
Energy: 1.4940266455237896
Energy: 1.6082483887885737
Energy: 1.4940266455220912
Energy: 1.4943963117709527
Energy: 1.4936890188366558
Energy: 1.764311855673584
Energy: 1.4936890188332588
Energy: 1.5207535798572154
Energy: 1.5181804474909018
Energy: 1.7227684958485936
Energy: 1.5181804474900524
Energy: 1.520734136741174
Energy: 1.5181910271395298
Energy: 1.7253204599697913
Energy: 1.5181910271344337
Energy: 1.774730624418037
Energy: 1.5188768162372
Energy: 1.5180727047599072
Energy: 1.5188768162338029
Energy: 1.7756871001907382
Energy: 1.5182920840774967
Energy: 1.5161659187318213
Energy: 1.5182920840783463
Energy: 1.7719371454239263
Energy: 1.4919921590591954
Energy: 1.493265454498414
Energy: 1.491992159061743
Energy: 1.7268630205840447
Energy: 1.6982713775958693
Energy: 1.534063028349787
Energy: 1.698271377594171
Energy: 1.7665101879477367
Energy: 1.6431439213038452
Energy: 1.517168129550181
Energy: 1.6431439213012968
Energy: 1.6457799297799558
Energy: 1.645374645163384
Energy: 1.773422063371397
Energy: 1.6453746451599869
Energy: 1.646742074480609
Energy: 1.6179396054866935
Energy: 1.5328123217602647
Energy: 1.6179396054849946
Energy: 1.6135985057097066
Energy: 1.5856315206042857
Energy: 1.4928760310905693
Energy: 1.5856315206059841
Energy: 1.6450502063645904
Energy: 1.6166963987707836
Energy: 1.5327702425769885
Energy: 1.6166963987631398
Energy: 1.5430694725895853
Energy: 1.6445138367157044
Energy: 1.642143037198362
Energy: 1.6445138367157044
Energy: 1.544020831712628
Energy: 1.6423794204279087
Energy: 1.6726772898272275
Energy: 1.642379420428758
Energy: 1.5349171459557318
Energy: 1.7046585634981946
Energy: 1.6088875149860549
Energy: 1.704658563496496
Energy: 1.4908402592649213
Energy: 1.4933799744502236
Energy: 1.7679013941759554
Energy: 1.4933799744476757
Energy: 1.5176358031048742
Energy: 1.516865155447782
Energy: 1.5519455571110963
Energy: 1.5168651554486314
Energy: 1.5214444034820258
Energy: 1.5188203941275202
Energy: 1.7202384430431625
Energy: 1.518820394125822
Energy: 1.7746569167034516
Energy: 1.51849375292804
Energy: 1.522614503532627
Energy: 1.5184937529288896
Energy: 1.7736510737168163
Energy: 1.5187931577618219
Energy: 1.5196427478957788
Energy: 1.5187931577626712
Energy: 1.7653098890183325
Energy: 1.493671453562693
Energy: 1.4938474508536594
Energy: 1.4936714535584463
Energy: 1.725166358706247
Energy: 1.4943160133475286
Energy: 1.4944712465625254
Energy: 1.4943160133500764
Energy: 1.7377027195744505
Energy: 1.7042003627411033
Energy: 1.5322803223795038
Energy: 1.7042003627419526
Energy: 1.6453153673979513
Energy: 1.6415807876286945
Energy: 2.013838494809809
Energy: 1.6415807876252975
Energy: 1.643706444536331
Energy: 1.6461348371005764
Energy: 1.53264934453345
Energy: 1.6461348370937816
Energy: 1.608910276367684
Energy: 1.5877910126582067
Energy: 1.6287957264767028
Energy: 1.5877910126607546
Energy: 1.643775648522141
Energy: 1.6146670250812485
Energy: 1.4970819981511705
Energy: 1.6146670250795498
Energy: 1.5431832140977884
Energy: 1.6435351098648683
Energy: 1.641912434932695
Energy: 1.6435351098597721

minimum gb energy = 1.4889720204127206 eV
minimum distance =  2.20556601140587 Angstroms
sigma value = 29


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

Energy: 1.374057191211734
Energy: 1.3761385671895552
Energy: 1.5068517389205223
Energy: 1.5731317197031585
Energy: 1.488955843906659
Energy: 1.610351978911478
Energy: 1.5057930311237948
Energy: 1.6103519789120697
Energy: 1.506196899143882
Energy: 1.5691681358925065
Energy: 1.433965420208302
Energy: 1.569168135892211
Energy: 1.4888725948314847
Energy: 1.4117781803356082
Energy: 1.5042098914464326
Energy: 1.4117781803350493
Energy: 1.449374632764496
Energy: 1.4484323474111733
Energy: 1.3802274659063247
Energy: 1.4484323474117649
Energy: 1.5037272643663242
Energy: 1.57069970468795
Energy: 1.3804575480372345
Energy: 1.5706997046876543
Energy: 1.4332998504413939
Energy: 1.5690707715545982
Energy: 1.5045799208208994
Energy: 1.5690707715545982
Energy: 1.5061551985061594
Energy: 1.4466753033777529
Energy: 1.4902464406213984
Energy: 1.4466753033780488
Energy: 1.4881950950013874
Energy: 1.4453603419896701
Energy: 1.446615913191153
Energy: 1.4453603419891112

minimum gb energy = 1.374057191211734 eV
minimum distance =  2.22899796499006 Angstroms
sigma value = 5


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

Energy: 1.9498660872755966
Energy: 1.3832207065155806
Energy: 1.6414678101229572
Energy: 1.3920470574041244
Energy: 1.7132919132913753
Energy: 1.3932121648311377
Energy: 1.6056427644568683
Energy: 1.393212164837556
Energy: 1.6035992809141337
Energy: 1.5009926072475837
Energy: 1.599578244668267
Energy: 1.500992607245979
Energy: 1.5036345265824234
Energy: 1.390550971262316
Energy: 1.5816461101844077
Energy: 1.3905509712671298
Energy: 1.6016447182551263
Energy: 1.409510276478464
Energy: 1.508124467147528
Energy: 1.4095102764840801
Energy: 1.408007144334212
Energy: 1.4178427180148334
Energy: 1.5099323475673887
Energy: 1.4178427180124265
Energy: 1.3920974389187508
Energy: 1.3900143242252925
Energy: 1.753366855008351
Energy: 1.3900143242188743
Energy: 1.3993810531311233
Energy: 1.3946411053326488
Energy: 1.6963604465723283
Energy: 1.3946411053374625
Energy: 1.6959029801286631
Energy: 1.4681485860169836
Energy: 1.7060688185451631
Energy: 1.468148586016181
Energy: 1.7101722853816381
Energy: 1.3824364217299536
Energy: 1.3800821700656767
Energy: 1.3824364217315583
Energy: 1.692754463394811
Energy: 1.3816763895885018
Energy: 1.3914417530327057
Energy: 1.3816763895852928
Energy: 1.6975604600689655
Energy: 1.4006481411540002
Energy: 1.4030697135278005
Energy: 1.4006481411628253
Energy: 1.6917416549159707
Energy: 1.3810209511296476
Energy: 1.6066360767468024
Energy: 1.3810209511328564
Energy: 1.7164482731689281
Energy: 1.6003463922503598
Energy: 1.6897822125626512
Energy: 1.6003463922503598
Energy: 1.4695011146435466
Energy: 1.3654327080045066
Energy: 1.6920963955815023
Energy: 1.3654327080021
Energy: 1.4859010294959882
Energy: 1.3658133917337694
Energy: 1.6754703462521643
Energy: 1.3658133917385833
Energy: 1.4794232274560406
Energy: 1.3668239875291055
Energy: 1.398668963373437
Energy: 1.3668239875275012
Energy: 1.6839129026607271
Energy: 1.3877685394376233
Energy: 1.677517708061176
Energy: 1.387768539439228
Energy: 1.6818200024154646
Energy: 1.4757514204068891
Energy: 1.4012423369983142
Energy: 1.4757514203989393
Energy: 1.6818384673918592
Energy: 1.3970065832529053
Energy: 1.501622657071001
Energy: 1.397006583255312
Energy: 1.5082772189225866
Energy: 1.3970759410466875
Energy: 1.5158655020244376
Energy: 1.3970759410490943
Energy: 1.5067606624411727
Energy: 1.4287227080517142
Energy: 1.415468463383997
Energy: 1.4287227080549232
Energy: 1.7071646449916682
Energy: 1.396104294694137
Energy: 1.4006523158701623
Energy: 1.3961042946909277
Energy: 1.6947113981915967
Energy: 1.3989961745348447
Energy: 1.3981546231435904
Energy: 1.3989961745420652
Energy: 1.6986432261896591
Energy: 1.3738602253347558
Energy: 1.6798364230507656
Energy: 1.3738602253291399
Energy: 1.3795131430883947
Energy: 1.380960760273999
Energy: 1.7102527713506372
Energy: 1.380960760280417
Energy: 1.3930864372398646
Energy: 1.3868485621586264
Energy: 1.6500339176454761
Energy: 1.3868485621586264
Energy: 1.391794634641157
Energy: 1.3927480586185388
Energy: 1.5154526780391058
Energy: 1.392748058619341
Energy: 1.495807913424712
Energy: 1.3750514739935413
Energy: 1.6937158339851681
Energy: 1.3750514739911346
Energy: 1.6903118463584774
Energy: 1.4665386319130482
Energy: 1.7040915484920258
Energy: 1.4665386319050253
Energy: 1.689955775097832
Energy: 1.3917749235230845
Energy: 1.3949504222231572
Energy: 1.3917749235270962
Energy: 1.7309287590083773
Energy: 1.3912911275911124
Energy: 1.3955234002889854
Energy: 1.3912911275919146
Energy: 1.396666833823738
Energy: 1.4320647518708234
Energy: 1.4317031916108203
Energy: 1.4320647518636032

minimum gb energy = 1.3654327080021 eV
minimum distance =  2.1803756730669 Angstroms
sigma value = 1


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

Energy: 1.918769683989537
Energy: 1.3249894368004704
Energy: 1.3347990955637998
Energy: 1.3314729600684398
Energy: 1.7402929712125141
Energy: 1.332552634014823
Energy: 1.5889626381033415
Energy: 1.3325526340170415
Energy: 1.5882803864016608
Energy: 1.468767011721258
Energy: 1.6062791494851278
Energy: 1.468767011714602
Energy: 1.3425564335803177
Energy: 1.328143357107319
Energy: 1.591989668631918
Energy: 1.328143357111756
Energy: 1.5685452664723565
Energy: 1.342177119350479
Energy: 1.597996279180951
Energy: 1.3421771193482606
Energy: 1.3286077763492588
Energy: 1.3422091071485869
Energy: 1.5987693267536842
Energy: 1.3422091071474775
Energy: 1.3401394472615973
Energy: 1.3260832133106073
Energy: 1.7639781004450825
Energy: 1.3260832133083886
Energy: 1.3423570444575506
Energy: 1.3293506775312176
Energy: 1.7914518581706964
Energy: 1.3293506775334363
Energy: 1.592219784132301
Energy: 1.4410513556928133
Energy: 1.7901299676640217
Energy: 1.4410513556894855
Energy: 1.601340926959389
Energy: 1.343204016655411
Energy: 1.3332753201962113
Energy: 1.343204016655411
Energy: 1.764997210118057
Energy: 1.3271376784898412
Energy: 1.3283850291504447
Energy: 1.3271376784920599
Energy: 1.8368158153425906
Energy: 1.3434882265405481
Energy: 1.3298798234471763
Energy: 1.3434882265394388
Energy: 1.835671832429329
Energy: 1.3283140578804253
Energy: 1.3309065824292918
Energy: 1.3283140578782067
Energy: 1.7634629935119162
Energy: 1.3280353324923164
Energy: 1.604542367865756
Energy: 1.3280353324923164
Energy: 1.341663476508709
Energy: 1.467838841137409
Energy: 1.605146568627688
Energy: 1.4678388411385184
Energy: 1.3414466385460195
Energy: 1.3297660567331393
Energy: 1.7647960721026925
Energy: 1.32976605673203
Energy: 1.328409584780077
Energy: 1.3309380756261247
Energy: 1.5955012575973384
Energy: 1.3309380756250155
Energy: 1.3512100837877408
Energy: 1.3413422692265087
Energy: 1.5833778001912906
Energy: 1.3413422692298367
Energy: 1.340199889389606
Energy: 1.334904813786285
Energy: 1.794756101432575
Energy: 1.334904813786285
Energy: 1.3434780474822032
Energy: 1.421592786270508
Energy: 1.7935695926057253
Energy: 1.421592786269399
Energy: 1.598634762694031
Energy: 1.4207430714482598
Energy: 1.7645745212291242
Energy: 1.4207430714460412
Energy: 1.5956679064141153
Energy: 1.330704094189433
Energy: 1.330144506630351
Energy: 1.330704094191601
Energy: 1.7639329483676849
Energy: 1.3273571202263312
Energy: 1.3281399304165762
Energy: 1.3273571202252217
Energy: 1.8356238977541912
Energy: 1.3285118997806655
Energy: 1.32776210063012
Energy: 1.3285118997795562

minimum gb energy = 1.3249894368004704 eV
minimum distance =  2.19854595083268 Angstroms
sigma value = 17


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

Energy: 2.03336582839512
Energy: 1.3023962393723074
Energy: 1.6085207898606497
Energy: 1.3137244900333223
Energy: 1.316605743967513
Energy: 1.3068695485524058
Energy: 1.4939575497723985
Energy: 1.3068695485537771
Energy: 1.6661342984571212
Energy: 1.3036838086467657
Energy: 1.4853367839442717
Energy: 1.3036838086467657
Energy: 1.6469419105953431
Energy: 1.3864420945723837
Energy: 1.5160818563164298
Energy: 1.3864420945723837
Energy: 1.6476671488438257
Energy: 1.292304870524787
Energy: 1.7831704292386963
Energy: 1.2923048705241016
Energy: 1.2935899534002817
Energy: 1.291599056257795
Energy: 1.785383725431542
Energy: 1.2915990562591662
Energy: 1.294112060394005
Energy: 1.2928685468394994
Energy: 1.3777575881603703
Energy: 1.2928685468388135
Energy: 1.298276955827434
Energy: 1.294363044299096
Energy: 1.928345289089465
Energy: 1.2943630442984104
Energy: 1.7379737981131793
Energy: 1.2946654710363952
Energy: 1.65243226429781
Energy: 1.2946654710377665
Energy: 1.4895821822908226
Energy: 1.390988908022452
Energy: 1.4734926417922598
Energy: 1.3909889080231375
Energy: 1.734273953348756
Energy: 1.304202936016156
Energy: 1.3133552055789401
Energy: 1.304202936016156
Energy: 1.7818842531232388
Energy: 1.3138825272865466
Energy: 1.5114542098277268
Energy: 1.3138825272844898
Energy: 1.7894900920772958
Energy: 1.3590571347677218
Energy: 1.305541527297229
Energy: 1.3590571347677218
Energy: 1.6238455829759215
Energy: 1.3049141749954263
Energy: 1.3081276711891963
Energy: 1.3049141749961117
Energy: 1.6426981759459796
Energy: 1.307368739530542
Energy: 1.3129817455875041
Energy: 1.307368739530542
Energy: 1.8790824380191753
Energy: 1.3061119755140858
Energy: 1.626925626614839
Energy: 1.3061119755140858
Energy: 1.356125494629645
Energy: 1.514768163040399
Energy: 1.7920055977445346
Energy: 1.514768163034228
Energy: 1.3033991275633992
Energy: 1.3072496128103683
Energy: 1.7646526191891476
Energy: 1.307249612811054
Energy: 1.3758442635571744
Energy: 1.3103179856434164
Energy: 1.6521416052698643
Energy: 1.310317985642731
Energy: 1.5132833743326881
Energy: 1.3070131992721556
Energy: 1.9124158004656957
Energy: 1.307013199269413
Energy: 1.4864523214250909
Energy: 1.3060583729008004
Energy: 1.519174869116697
Energy: 1.306058372901486
Energy: 1.483712393979957
Energy: 1.3047600409573057
Energy: 1.6449337347995896
Energy: 1.3047600409566202
Energy: 1.475204168763856
Energy: 1.3828144698854687
Energy: 1.6439561877931377
Energy: 1.38281446988684
Energy: 1.7834425957611795
Energy: 1.2941526718216003
Energy: 1.465056044190178
Energy: 1.2941526718229714
Energy: 1.7648990062843732
Energy: 1.3136771477923317
Energy: 1.2913314693253655
Energy: 1.3136771477930174
Energy: 1.3803489188693252
Energy: 1.2931222774373525
Energy: 1.294682494008665
Energy: 1.2931222774366669
Energy: 1.9120043928547306
Energy: 1.2962543012114498
Energy: 1.2938380045251636
Energy: 1.2962543012121355
Energy: 1.8429942407117523
Energy: 1.2929865031546104
Energy: 1.739078273505625
Energy: 1.2929865031552958
Energy: 1.4732684098482252
Energy: 1.3863429685099724
Energy: 1.483459264461358
Energy: 1.3863429685113438
Energy: 1.3152970329815359
Energy: 1.3038923429979112
Energy: 1.7344116313655757
Energy: 1.3038923429979112
Energy: 1.510695702688472
Energy: 1.3565955860737844
Energy: 1.7841551371566116
Energy: 1.356595586072413
Energy: 1.3613377596097873
Energy: 1.357498370971096
Energy: 1.7855662827106742
Energy: 1.357498370973153
Energy: 1.3051238107426157
Energy: 1.3047294532131506
Energy: 1.6266872331575275
Energy: 1.3047294532145217
Energy: 1.318438358034966
Energy: 1.3084501248227367
Energy: 1.6451395171903314
Energy: 1.308450124824108
Energy: 1.6191912278799254
Energy: 1.3047232702314027
Energy: 1.877354981816282
Energy: 1.3047232702279745
Energy: 1.8498657775387577
Energy: 1.311559048908967
Energy: 1.3660417654861754
Energy: 1.31155904890691
Energy: 1.6194215887142143
Energy: 1.305058890149533
Energy: 1.314638435235225
Energy: 1.3050588901488474
Energy: 1.6501680636948028
Energy: 1.3340011298841978
Energy: 1.3557084359468545
Energy: 1.3340011298862546

minimum gb energy = 1.2913314693253655 eV
minimum distance =  2.19629568778492 Angstroms
sigma value = 89


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

Energy: 2.141422151740615
Energy: 1.2411312958675447
Energy: 1.1945611004088434
Energy: 1.19455622568348
Energy: 1.9345185052240892
Energy: 1.3209027849356985
Energy: 1.5679831459239695
Energy: 1.3209027849374926
Energy: 1.1801691030159083
Energy: 1.3219068756018189
Energy: 1.5791568973200005
Energy: 1.3219068756018189
Energy: 1.1805739121973098
Energy: 1.324149697369033
Energy: 1.1933292558904027
Energy: 1.324149697369033
Energy: 1.1907856191732227
Energy: 1.192004388240718
Energy: 1.5696837466918367
Energy: 1.1920043882425122
Energy: 1.2538686454966192
Energy: 1.1926294708357363
Energy: 1.569451590990501
Energy: 1.1926294708357363
Energy: 1.192112137955819
Energy: 1.1891954414607933
Energy: 1.5673137646347637
Energy: 1.1891954414607933
Energy: 1.1935733835252882
Energy: 1.1951210318857333
Energy: 1.9344261240236373
Energy: 1.1951210318857333
Energy: 1.5660006077167936
Energy: 1.1897570570953604
Energy: 1.935394158821135
Energy: 1.1897570570971545
Energy: 1.5816536552397586
Energy: 1.3243911722916446
Energy: 1.2241702157953358
Energy: 1.3243911722916446
Energy: 1.5655387267597052
Energy: 1.3242140587150253
Energy: 1.1776956218491925
Energy: 1.3242140587168194
Energy: 1.5700691759700947
Energy: 1.1928065945580806
Energy: 1.1934916074286372
Energy: 1.1928065945580806
Energy: 1.5709595831023373
Energy: 1.1933721597849793
Energy: 1.191053025200059
Energy: 1.1933721597867732
Energy: 1.2225640823379695
Energy: 1.1883661392689735
Energy: 1.1881240502508856
Energy: 1.1883661392689735
Energy: 1.9353910286420433
Energy: 1.1922263161046132
Energy: 1.1927971425007091
Energy: 1.1922263161028193

minimum gb energy = 1.1776956218491925 eV
minimum distance =  2.22351837729575 Angstroms
sigma value = 13


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

Energy: 1.9046236460227484
Energy: 1.1475541196424075
Energy: 1.1298133709491789
Energy: 1.1315863879885688
Energy: 1.8095599074685216
Energy: 1.1278077206042032
Energy: 1.3457646040382172
Energy: 1.1278077205996915
Energy: 1.8070836502501204
Energy: 1.126509202053199
Energy: 1.3213980631632547
Energy: 1.126509202054703
Energy: 1.5044174801054921
Energy: 1.1316354644194715
Energy: 1.3454084619858666
Energy: 1.1316354644224793
Energy: 1.557757054606774
Energy: 1.1290241231281106
Energy: 1.659439527206389
Energy: 1.1290241231235991
Energy: 1.3217558884693406
Energy: 1.1285402072781632
Energy: 1.657464700829245
Energy: 1.1285402072924493
Energy: 1.321043553271977
Energy: 1.1274093625762447
Energy: 1.6736168731998617
Energy: 1.1274093625762447
Energy: 1.3064168047350628
Energy: 1.1307535990546185
Energy: 1.9290153543354283
Energy: 1.130753599050859
Energy: 1.1565575549216265
Energy: 1.1312818771260507
Energy: 1.9312913989920917
Energy: 1.131281877124547
Energy: 1.125001285250949
Energy: 1.1268252464539443
Energy: 1.934063322513075
Energy: 1.1268252464562
Energy: 1.1544975352062516
Energy: 1.137564591285841
Energy: 1.905533485454763
Energy: 1.137564591285841
Energy: 1.6402190121571212
Energy: 1.2056177687589358
Energy: 1.680669441105639
Energy: 1.2056177687461531
Energy: 1.658714349176338
Energy: 1.203719092179108
Energy: 1.6600051788301384
Energy: 1.2037190921866272
Energy: 1.6481965303824564
Energy: 1.2070833936419372
Energy: 1.504945975485321
Energy: 1.207083393643441
Energy: 1.9401088487584388
Energy: 1.1301199187865307
Energy: 1.5328635631117788
Energy: 1.1301199187857787
Energy: 1.9369412391494274
Energy: 1.128037742441723
Energy: 1.1319717151541164
Energy: 1.1280377424424748
Energy: 1.6676276194073156
Energy: 1.127149983527413
Energy: 1.1279686613784001
Energy: 1.1271499835236534
Energy: 1.8197465849985206
Energy: 1.1297935363225637
Energy: 1.1359993650839755
Energy: 1.129793536330083
Energy: 2.0560728367081187
Energy: 1.1306103176357454
Energy: 1.349727410824249
Energy: 1.130610317637249
Energy: 1.6814421417612404
Energy: 1.1256334577118376
Energy: 1.3202387794383004
Energy: 1.125633457717853
Energy: 1.5041582275878116
Energy: 1.1347876704840105
Energy: 1.3455976991747418
Energy: 1.1347876704757396
Energy: 1.6806988813796009
Energy: 1.1264745351917294
Energy: 1.6574908655997873
Energy: 1.1264745351924812
Energy: 1.3280293495950364
Energy: 1.1298592310645263
Energy: 1.6597796887498264
Energy: 1.129859231066782
Energy: 1.1310784946015422
Energy: 1.1256497101546552
Energy: 1.6755819790201307
Energy: 1.1256497101493919
Energy: 1.3391531273361368
Energy: 1.1573814699829255
Energy: 1.939655581023
Energy: 1.1573814699754061
Energy: 1.1589530494623883
Energy: 1.1562887578467438
Energy: 1.9349920073370208
Energy: 1.1562887578459917
Energy: 1.126740028940298
Energy: 1.125854555811514
Energy: 1.6779688845562037
Energy: 1.125854555810762
Energy: 1.1265104161531778
Energy: 1.1332993829061675
Energy: 1.8184414216064135
Energy: 1.1332993829054157
Energy: 1.6383280022539954
Energy: 1.1271721368821808
Energy: 2.057850438434652
Energy: 1.127172136879925
Energy: 1.317468312659812
Energy: 1.2085556129027348
Energy: 1.6601930326408127
Energy: 1.2085556128982233
Energy: 1.6441533540928086
Energy: 1.210425763160989
Energy: 1.5058523794925434
Energy: 1.2104257631639965
Energy: 1.9359234972172648
Energy: 1.129825551327316
Energy: 1.640144236253057
Energy: 1.1298255513243083
Energy: 1.9412034871748278
Energy: 1.1308009175125393
Energy: 1.1591184488981385
Energy: 1.1308009175200584
Energy: 1.7697852269192
Energy: 1.1260027065041396
Energy: 1.1276008145546847
Energy: 1.126002706493613
Energy: 2.05079267075847
Energy: 1.1287946814184813
Energy: 1.1335313418691972
Energy: 1.1287946814079546

minimum gb energy = 1.125001285250949 eV
minimum distance =  2.214503767875 Angstroms
sigma value = 37


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

Energy: 1.8595900996289554
Energy: 1.1179070144021042
Energy: 1.053024733560418
Energy: 1.0699289786155763
Energy: 1.9894202268748968
Energy: 1.054177276363691
Energy: 1.3800839727358514
Energy: 1.0541772763662784
Energy: 1.7542635482330802
Energy: 1.0522480901213112
Energy: 1.3649044684113236
Energy: 1.0522480901213112
Energy: 1.7542082208633576
Energy: 1.192730775339616
Energy: 1.5821359060954585
Energy: 1.192730775339616
Energy: 1.6782266223428268
Energy: 1.0425675378892434
Energy: 1.4974858004996623
Energy: 1.0425675378892434
Energy: 1.34414438099659
Energy: 1.0417851120385853
Energy: 1.7286424214408669
Energy: 1.041785112039879
Energy: 1.1929634057895135
Energy: 1.0414559506594234
Energy: 1.636717797024524
Energy: 1.0414559506594234
Energy: 1.3093008156299253
Energy: 1.023976068779554
Energy: 1.9715661240843907
Energy: 1.0239760687808477
Energy: 1.1911393056968613
Energy: 1.0453823799705722
Energy: 1.9733648871985352
Energy: 1.0453823799744533
Energy: 1.1780584611600273
Energy: 1.0208506665243386
Energy: 2.0779294041747014
Energy: 1.0208506665217514
Energy: 1.2718263392282492
Energy: 1.2726727532393234
Energy: 1.674347286364083
Energy: 1.2726727532393234
Energy: 1.4843844971988007
Energy: 1.0205828508202701
Energy: 2.078231015054162
Energy: 1.0205828508215637
Energy: 1.48684797774582
Energy: 1.041323655566656
Energy: 1.753969956542771
Energy: 1.0413236555679497
Energy: 1.635646133218867
Energy: 1.1560177211153766
Energy: 1.7542093704817756
Energy: 1.156017721114083
Energy: 1.4974858004996623
Energy: 1.1801292375350014
Energy: 1.6364735751005601
Energy: 1.1801292375350014
Energy: 1.7286424214395733
Energy: 1.1800468950645617
Energy: 1.36103501346454
Energy: 1.180046895063268
Energy: 1.6782038430841526
Energy: 1.3858603017354945
Energy: 1.192840772240966
Energy: 1.38586030173423
Energy: 1.9715661240856843
Energy: 1.0527185669872239
Energy: 1.265741656561499
Energy: 1.0527185669885175
Energy: 1.9733648871985352
Energy: 1.0524501677780278
Energy: 1.0529943619659319
Energy: 1.0524501677780278
Energy: 1.8719578809331943
Energy: 1.0547912190327315
Energy: 1.0710601946017844
Energy: 1.0547912190327315

minimum gb energy = 1.0205828508202701 eV
minimum distance =  2.20760713707158 Angstroms
sigma value = 25


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

Energy: 1.915019671668044
Energy: 0.9874302051030741
Energy: 0.9358854714133773
Energy: 0.9357935865599143
Energy: 2.0758327549057705
Energy: 0.9277024679817069
Energy: 1.1827772070602154
Energy: 0.9277024679796867
Energy: 1.885071830236861
Energy: 0.9263913505490392
Energy: 1.1813649988892339
Energy: 0.9263913505490392
Energy: 1.5144079941980728
Energy: 0.9301704707721026
Energy: 1.4081454225733163
Energy: 0.9301704707731127
Energy: 1.8232819967858964
Energy: 1.0349341489448645
Energy: 1.6161571055896975
Energy: 1.0349341489458745
Energy: 1.511567220143984
Energy: 1.0344664420721421
Energy: 1.6146973240012588
Energy: 1.034466442071132
Energy: 1.5129246234109606
Energy: 0.9234296749021841
Energy: 1.743035844216995
Energy: 0.9234296749021841
Energy: 1.440644844694919
Energy: 0.9233235555480177
Energy: 1.6977060103061852
Energy: 0.9233235555480177
Energy: 1.1592263755408896
Energy: 0.9221246299515901
Energy: 1.9832483859132117
Energy: 0.9221246299465393
Energy: 1.1617896101098906
Energy: 0.9226209423368298
Energy: 1.792551364111224
Energy: 0.9226209423358196
Energy: 1.037504016876855
Energy: 0.914973672174428
Energy: 1.8281278843091602
Energy: 0.9149736721713976
Energy: 1.0382500116885687
Energy: 0.9238841366508176
Energy: 1.7929191296345932
Energy: 0.9238841366508176
Energy: 1.0436794960294429
Energy: 0.9132561761240607
Energy: 2.1605249495201027
Energy: 0.9132561761240607
Energy: 1.2892063743806483
Energy: 0.9102317103604997
Energy: 1.7872209727107382
Energy: 0.9102317103615097
Energy: 1.288788990470176
Energy: 0.9106859274349337
Energy: 1.7908497253756426
Energy: 0.9106859274339235
Energy: 1.2900415840628237
Energy: 0.9242880609919558
Energy: 1.8877251987593464
Energy: 0.9242880609959966
Energy: 1.5782199236119987
Energy: 0.9250618188183576
Energy: 1.8855106745578605
Energy: 0.9250618188203779
Energy: 1.284277865538873
Energy: 1.0358758347938728
Energy: 1.6117497397395641
Energy: 1.0358758347908423
Energy: 1.5996664929508944
Energy: 1.0318163343870936
Energy: 1.513204513780774
Energy: 1.0318163343860836
Energy: 1.9931101268315932
Energy: 1.0315335447543044
Energy: 1.511244076826062
Energy: 1.0315335447593552
Energy: 1.6982530596568615
Energy: 0.9285610038158348
Energy: 1.1771488109203132
Energy: 0.9285610038148248
Energy: 1.993518725474017
Energy: 0.9253142424847123
Energy: 1.038840371717487
Energy: 0.925314242483702
Energy: 2.0677649670987845
Energy: 0.9303318499946683
Energy: 1.1785065718925316
Energy: 0.9303318499946683
Energy: 1.699619140241438
Energy: 0.9256793014358787
Energy: 0.9352042411914713
Energy: 0.9256793014409296
Energy: 1.8244576639522132
Energy: 0.9265561203963828
Energy: 0.928496181351991
Energy: 0.926556120397393
Energy: 1.886372888220046
Energy: 0.9384156093488021
Energy: 0.9352308158037322
Energy: 0.9384156093498123

minimum gb energy = 0.9102317103604997 eV
minimum distance =  2.2183982546057 Angstroms
sigma value = 41


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

Energy: 1.9173657040887533
Energy: 0.8810862403109034
Energy: 0.830139025683774
Energy: 0.8297853092025653
Energy: 2.2000210272955836
Energy: 0.8302164043253264
Energy: 1.0432959385395553
Energy: 0.8302164043253264
Energy: 1.8933389403249408
Energy: 0.8291054624642609
Energy: 1.0409199559210425
Energy: 0.8291054624634326
Energy: 1.576394893589977
Energy: 0.836291735448043
Energy: 1.4105665224108848
Energy: 0.8362917354488713
Energy: 1.9065207504305026
Energy: 0.8308727915893483
Energy: 1.4125581688249482
Energy: 0.8308727915876919
Energy: 1.5673076591987367
Energy: 0.830526164727194
Energy: 1.4115529831285565
Energy: 0.8305261647255376
Energy: 1.5727215734834008
Energy: 0.9200732595996662
Energy: 1.7372103402360888
Energy: 0.9200732595996662
Energy: 1.5866397473169471
Energy: 0.9241222036993842
Energy: 1.4048777360720366
Energy: 0.9241222037002124
Energy: 1.2470695796766749
Energy: 0.8278694376434809
Energy: 1.732960995324428
Energy: 0.8278694376434809
Energy: 1.2501004094084762
Energy: 0.8280775001990973
Energy: 2.0490007025232466
Energy: 0.8280775001990973
Energy: 1.0409431406760365
Energy: 0.8381721391529502
Energy: 1.7304458974397496
Energy: 0.8381721391537783
Energy: 1.0387224152649042
Energy: 0.8276807290703648
Energy: 2.0506597416314465
Energy: 0.8276807290703648
Energy: 1.0499097763773269
Energy: 0.8324073732128472
Energy: 2.0498372987897904
Energy: 0.8324073732128472
Energy: 0.8283502952469923
Energy: 0.8451052034815725
Energy: 1.7402272477989913
Energy: 0.8451052034824006
Energy: 0.8321601557870804
Energy: 0.8293853933590986
Energy: 1.9058472222222032
Energy: 0.8293853933590986
Energy: 0.8373155138207818
Energy: 0.8357342848414311
Energy: 1.8957423736018937
Energy: 0.8357342848406029
Energy: 1.0397782883197166
Energy: 0.835112073628733
Energy: 1.9013190921611496
Energy: 0.8351120736279047
Energy: 1.0307030682806213
Energy: 0.8276807306961419
Energy: 1.903916089033526
Energy: 0.8276807306961419
Energy: 1.041477719118123
Energy: 0.8335238199806275
Energy: 1.5707575973616508
Energy: 0.8335238199831121
Energy: 1.4168812759506837
Energy: 0.830513102451334
Energy: 1.5671804589882377
Energy: 0.8305131024529904
Energy: 1.4083392898835185
Energy: 0.8317271362061246
Energy: 1.7397752679721126
Energy: 0.8317271362052965
Energy: 1.4182395045504759
Energy: 0.9183017919773531
Energy: 1.5741640353715012
Energy: 0.9183017919756967
Energy: 1.7327993551283007
Energy: 0.9165009009722348
Energy: 1.5678476280614049
Energy: 0.9165009009730629
Energy: 1.4039525731346532
Energy: 0.9236449136463656
Energy: 1.4193041621654081
Energy: 0.9236449136455375
Energy: 1.7385103604406764
Energy: 0.8294717496950202
Energy: 1.229320143656313
Energy: 0.8294717496950202
Energy: 1.7324555585208508
Energy: 0.8298331635933398
Energy: 1.4146708119210638
Energy: 0.8298331635916837
Energy: 1.7357907285629417
Energy: 0.8326698429711471
Energy: 1.041165405133368
Energy: 0.8326698429711471
Energy: 1.9034785656312436
Energy: 0.8272721636294663
Energy: 1.0323576471679692
Energy: 0.8272721636294663
Energy: 1.7345046967708562
Energy: 0.8393619951847999
Energy: 1.041115906646927
Energy: 0.8393619951847999
Energy: 1.731764903471367
Energy: 0.8364248986288213
Energy: 0.8287080491231567
Energy: 0.8364248986296496
Energy: 2.0536722884205525
Energy: 0.8290131105396744
Energy: 0.8311145590489604
Energy: 0.8290131105396744
Energy: 1.890403834174651
Energy: 0.8382012440910134
Energy: 0.8294621529627179
Energy: 0.8382012440901853

minimum gb energy = 0.8272721636294663 eV
minimum distance =  2.22939738498006 Angstroms
sigma value = 15


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

Energy: 1.6975435279195763
Energy: 0.8088249121631189
Energy: 0.7641794057196342
Energy: 0.7643739198691394
Energy: 2.1063484908890073
Energy: 0.7665904710930403
Energy: 0.9410144017638447
Energy: 0.7665904710930403
Energy: 1.9650555882086382
Energy: 0.7643266772536058
Energy: 0.9394201221946101
Energy: 0.7643266772522026
Energy: 1.6925251853002896
Energy: 0.7710586722200795
Energy: 1.2608167800003034
Energy: 0.7710586722186763
Energy: 1.9722010426436025
Energy: 0.7615521696757104
Energy: 1.2626314854832643
Energy: 0.7615521696778149
Energy: 1.6822329687476973
Energy: 0.762450314783966
Energy: 1.2646307353186026
Energy: 0.7624503147825629
Energy: 1.4006796495303004
Energy: 1.0894473473993591
Energy: 1.5491349839601536
Energy: 1.0894473474000606
Energy: 1.6960703431828863
Energy: 1.0896423906236687
Energy: 1.252903471858296
Energy: 1.0896423906243702
Energy: 1.3987688995368008
Energy: 1.088555499242061
Energy: 1.5432777987051487
Energy: 1.088555499243464
Energy: 1.3987115004280113
Energy: 1.0882726933686409
Energy: 1.8252647972428584
Energy: 1.088272693364431
Energy: 1.2626742629152208
Energy: 1.0913112525177233
Energy: 1.55229943473398
Energy: 1.0913112525170217
Energy: 1.103998512686147
Energy: 0.761749425715405
Energy: 1.8262234211727209
Energy: 0.7617494257147036
Energy: 1.2661561416196883
Energy: 0.7630553237003784
Energy: 1.8229879270740603
Energy: 0.7630553237017815
Energy: 0.9349063802930151
Energy: 0.77062169732845
Energy: 1.5485673488481966
Energy: 0.7706216973305549
Energy: 0.9347434116981435
Energy: 0.7624207625159442
Energy: 1.9757464504152558
Energy: 0.7624207625145412
Energy: 0.9358879567336524
Energy: 0.7687205820092504
Energy: 1.825537184128648
Energy: 0.7687205820113552
Energy: 0.7625565407446808
Energy: 0.7731885362756907
Energy: 1.8299298789363279
Energy: 0.7731885362749892
Energy: 0.7625136224071979
Energy: 0.7633950901399366
Energy: 1.9747743633381827
Energy: 0.763395090140638
Energy: 0.7782306468220189
Energy: 0.7722417202723745
Energy: 1.6852260413780036
Energy: 0.7722417202737778
Energy: 0.9501935592821654
Energy: 0.7696152383165833
Energy: 1.970952934940025
Energy: 0.7696152383130754
Energy: 0.9302677085242322
Energy: 0.7625337627826552
Energy: 1.9761666243568627
Energy: 0.7625337627812521
Energy: 0.9323605270834041
Energy: 0.7705456573620376
Energy: 1.6896979670790153
Energy: 0.7705456573613362
Energy: 1.2681885158350354
Energy: 0.7632876239302245
Energy: 1.681246086591357
Energy: 0.7632876239316277
Energy: 1.2615557348416198
Energy: 0.7617649341734148
Energy: 1.8296904223375527
Energy: 0.7617649341713102
Energy: 1.278909696309456
Energy: 0.7649557924229741
Energy: 1.408115989702566
Energy: 0.7649557924243771
Energy: 1.5413705936929076
Energy: 1.087967046860965
Energy: 1.8276965743824027
Energy: 1.0879670468630698
Energy: 1.258079944561421
Energy: 0.8394033359404186
Energy: 1.54692873723609
Energy: 0.8394033359460312
Energy: 1.5579505847557689
Energy: 1.0898790673310832
Energy: 1.4073848098343253
Energy: 1.0898790673275753
Energy: 1.5433856201602245
Energy: 1.0889110015827772
Energy: 1.5470439287829902
Energy: 1.0889110015827772
Energy: 1.5406561760944548
Energy: 1.0873697171187284
Energy: 1.261414820659381
Energy: 1.0873697171201318
Energy: 1.8398111709388192
Energy: 0.7617503620550409
Energy: 1.1035713747290103
Energy: 0.7617503620606535
Energy: 1.5471043734138243
Energy: 0.7699010574536133
Energy: 1.281808797629029
Energy: 0.7699010574501054
Energy: 1.823403819681852
Energy: 0.7638205405934824
Energy: 0.9417025057721335
Energy: 0.7638205405927807
Energy: 1.9747013674594707
Energy: 0.7655738246935417
Energy: 0.9483626255141839
Energy: 0.7655738246935417
Energy: 1.822304085827729
Energy: 0.7795486921752811
Energy: 0.9323683637024923
Energy: 0.7795486921745793
Energy: 2.0956449302846845
Energy: 0.7650785933757402
Energy: 0.76936428462386
Energy: 0.7650785933757402
Energy: 1.9626968737726773
Energy: 0.7653012448594785
Energy: 0.7716054549489115
Energy: 0.7653012448559705

minimum gb energy = 0.7615521696757104 eV
minimum distance =  2.23127100470662 Angstroms
sigma value = 85


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

Energy: 1.7796099434130686
Energy: 0.7653265056365666
Energy: 0.6885737718941779
Energy: 0.6885019633895076
Energy: 2.117490735756065
Energy: 0.691408851570724
Energy: 0.8384430115437727
Energy: 0.6914088515713325
Energy: 1.749674526954073
Energy: 0.6904521474938206
Energy: 0.8381558652016617
Energy: 0.6904521474938206
Energy: 1.4942074776627388
Energy: 0.6892710464407676
Energy: 1.1291090214796662
Energy: 0.6892710464401591
Energy: 2.009123311217572
Energy: 0.6900767958923809
Energy: 1.128612736856395
Energy: 0.6900767958935978
Energy: 1.4964783766002805
Energy: 0.6893886041499178
Energy: 1.1338988129228342
Energy: 0.6893886041511071
Energy: 1.5012250675337178
Energy: 0.6894595218625369
Energy: 1.3765206818802207
Energy: 0.6894595218601032
Energy: 1.7679855277011827
Energy: 0.6887616739753917
Energy: 1.1173276835099268
Energy: 0.688761673977217
Energy: 1.5016631321772154
Energy: 1.259625257300227
Energy: 1.3801748551640702
Energy: 1.259625257300227
Energy: 1.5000875592373046
Energy: 1.2582612442751204
Energy: 1.630398899039035
Energy: 1.2582612442751204
Energy: 1.3764778224880074
Energy: 1.0132123614925053
Energy: 1.373811395721325
Energy: 1.0132123614912882
Energy: 1.2512905848562077
Energy: 0.6887318626033115
Energy: 1.6313563957848691
Energy: 0.6887318626033115
Energy: 1.3766973113568826
Energy: 0.6894400796644414
Energy: 1.6255124983029086
Energy: 0.6894400796650498
Energy: 1.1292400194167178
Energy: 0.6889657609542205
Energy: 1.3707383939745887
Energy: 0.6889657609548013
Energy: 0.9817439711194453
Energy: 0.6884824577070925
Energy: 1.8818538815932544
Energy: 0.6884824577064841
Energy: 1.1301506089715412
Energy: 0.6907183197829295
Energy: 1.6239537280062941
Energy: 0.6907183197829295
Energy: 0.8376315902175083
Energy: 0.6924208920598535
Energy: 1.622777872523313
Energy: 0.692420892060462
Energy: 0.8363584202169626
Energy: 0.6889119047112013
Energy: 2.007311453228708
Energy: 0.68891190471181
Energy: 0.8378633796689721
Energy: 0.6888101585001525
Energy: 1.872786176415512
Energy: 0.6888101585007608
Energy: 0.6889386305886417
Energy: 0.689210917970733
Energy: 1.8727248763497115
Energy: 0.6892109179701246
Energy: 0.6899937100305705
Energy: 0.6893647776402857
Energy: 2.008230435040225
Energy: 0.6893647776402857
Energy: 0.689231667103484
Energy: 0.6890502720997638
Energy: 1.747203433340937
Energy: 0.6890502720991554
Energy: 0.8474885291988979
Energy: 0.6891428089582856
Energy: 1.996279934130748
Energy: 0.6891428089582856
Energy: 0.8399373247530433
Energy: 0.6887049067337462
Energy: 2.009666393358816
Energy: 0.6887049067337462
Energy: 0.8405922783622422
Energy: 0.6888866406624138
Energy: 1.4945091098044052
Energy: 0.6888866406636307
Energy: 1.1322569754324088
Energy: 0.689002309257241
Energy: 1.9991075800092197
Energy: 0.6890023092566325
Energy: 1.1292060284790604
Energy: 0.6889408508744113
Energy: 1.752889183951865
Energy: 0.6889408508750198
Energy: 1.3765454566369888
Energy: 0.6900235371893594
Energy: 1.497070802473966
Energy: 0.6900235371893594
Energy: 1.376979269949012
Energy: 0.6885506315760094
Energy: 1.8785277456054958
Energy: 0.6885506315754009
Energy: 1.3762591168589466
Energy: 1.2550092457466269
Energy: 1.5000362045807598
Energy: 1.2550092457460185
Energy: 1.6278993143838842
Energy: 1.2567434813039207
Energy: 1.249088528801325
Energy: 1.2567434813039207
Energy: 1.3734298282556505
Energy: 1.256555482565968
Energy: 1.6280243042710305
Energy: 1.2565554825665763
Energy: 1.6274562994606376
Energy: 0.6886703628646426
Energy: 1.2488724042702268
Energy: 0.6886703628640343
Energy: 1.8782086378592493
Energy: 0.6888458745313232
Energy: 1.2484318277300868
Energy: 0.6888458745337571
Energy: 1.3711572161333783
Energy: 0.6898200069913589
Energy: 1.288862005832694
Energy: 0.6898200069913589
Energy: 1.8775217660877932
Energy: 0.6885400219292472
Energy: 1.1216905902969978
Energy: 0.6885400219292472
Energy: 1.8748852563769793
Energy: 0.6890976658677009
Energy: 1.1318734262087082
Energy: 0.6890976658683096
Energy: 1.6228579199111601
Energy: 0.6900314657833755
Energy: 0.8380706452647962
Energy: 0.690031465782767
Energy: 2.1171304938425224
Energy: 0.6885380340209825
Energy: 0.8397530175768281
Energy: 0.6885380340209825
Energy: 1.8750349032718883
Energy: 0.6890801902351587
Energy: 0.8375410290580454
Energy: 0.689080190235767
Energy: 1.6204514554982146
Energy: 0.6888904800063453
Energy: 0.6889844417192345
Energy: 0.6888904800063453
Energy: 2.0082816940199053
Energy: 0.6890618728122592
Energy: 0.6893980262444945
Energy: 0.6890618728128676
Energy: 1.747388649239172
Energy: 0.6889701589905758
Energy: 0.6892406259325551
Energy: 0.6889701589911842

minimum gb energy = 0.6884824577064841 eV
minimum distance =  2.22719416210427 Angstroms
sigma value = 113


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

Energy: 0.02035254618901322
Energy: 0.02156882219196414
Energy: 1.618934605334462
Energy: 0.7241238924669597
Energy: 0.021384780150945026
Energy: 0.168759010945504
Energy: 1.06181475729445
Energy: 0.168759010945504
Energy: 0.021374850728786806
Energy: 0.16630933417947055
Energy: 1.0594824667094043
Energy: 0.16630933417947055
Energy: 0.02294883776528851
Energy: 0.16871665633684757
Energy: 1.059950038551755
Energy: 0.1687166563377831
Energy: 1.0593993091446037
Energy: 0.1687172914519407
Energy: 1.0596941068190988
Energy: 0.16871729145240846
Energy: 0.02101828957499742
Energy: 0.16636406455582306
Energy: 1.0595813786258488
Energy: 0.16636406455582306

minimum gb energy = 0.02035254618901322 eV
minimum distance =  2.45517948604301 Angstroms
sigma value = 1