Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.071862576852536e-19, 1.5714837362224619e-19, 1.95896534862546e-19, 2.2773659111002796e-19, 2.54677191210738e-19, 2.77863891457986e-19, 2.9803849963331397e-19, 3.1571211008296797e-19, 3.31256427786036e-19, 3.4495664018336996e-19, 3.5703544982709598e-19, 3.67670698323588e-19, 3.7700818374653996e-19, 3.8516967152013603e-19, 3.92256098772318e-19, 3.98355585217956e-19, 4.03545035335482e-19, 4.07888536190256e-19, 4.1144376614110196e-19, 4.1426199484030796e-19, 4.1638968541025997e-19, 4.1786529009017397e-19, 4.18727261119266e-19, 4.1900924420684997e-19, 4.18708034999658e-19, 4.1773551378281996e-19, 4.15971517308786e-19, 4.1327986056366594e-19, 4.0949071282425596e-19, 4.0440700636457393e-19, 3.9778681251288596e-19, 3.8934173947507193e-19, 3.78724114921554e-19, 3.65499748984518e-19, 3.4914793425791397e-19, 3.2901177832180198e-19, 3.04280579799378e-19, 2.7393214999815e-19, 2.36662317138042e-19, 1.90808021872962e-19, 1.3420007725813738e-19, 6.39951004212084e-20, -2.36069511783462e-20, -1.337503462769736e-19, -2.7355884284242795e-19, -4.53202897929678e-19, -6.876125547203159e-19, -9.99187844734296e-19, -1.420118098725312e-18, -1.99530271468458e-18, -2.82090433418478e-18, -4.0761135963257396e-18, -6.0606176404971594e-18, -9.25542193575852e-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: -0.0307342631051472 eV

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

Energy: 0.008137028918750665
Energy: 0.1951330050598393
Energy: 0.00853838837544117
Energy: 0.009515093056909278
Energy: 0.1859773494657647
Energy: 0.00844952453471044
Energy: 0.19513300506007825
Energy: 0.046840568346259784
Energy: 0.04684842402353397
Energy: 0.04684698623524931
Energy: 0.11831685626635366
Energy: 0.04687251335464371
Energy: 0.008538388375933096
Energy: 0.04684842402402589
Energy: 0.04695977865827867
Energy: 0.008552076062425834
Energy: 0.11849851751593947
Energy: 0.04753129166186058
Energy: 0.009515093058146124
Energy: 0.04684698623426546
Energy: 0.008552076058715295
Energy: 0.008313314742281095
Energy: 0.118055266457085
Energy: 0.008537444047556315
Energy: 0.18597734946527278
Energy: 0.11831685626733753
Energy: 0.11849851751568648
Energy: 0.11805526645733799
Energy: 0.046888882683939745
Energy: 0.1174918006629108
Energy: 0.008449524534218513
Energy: 0.04687251335415178
Energy: 0.04753129165914795
Energy: 0.008537444048062297
Energy: 0.11749180066265781
Energy: 0.008625619353285022

minimum gb energy = 0.008137028918750665 eV
minimum distance =  2.83757132900516 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.5503426043081918
Energy: 0.440110195823366
Energy: 0.454415918436709
Energy: 0.5495648471388043
Energy: 0.427778069975669
Energy: 0.4544993044394803
Energy: 0.5035955360740739
Energy: 0.42454990389481717
Energy: 0.4248697411694379
Energy: 0.4487274870369228
Energy: 0.4262705380710567
Energy: 0.3958124969080313
Energy: 0.5047907116910916
Energy: 0.4243430212161345
Energy: 0.4242130789354108
Energy: 0.4348390688669622
Energy: 0.4243391624546896
Energy: 0.41092286042657855
Energy: 0.5171204274857566
Energy: 0.4550089736675223
Energy: 0.453038108307996
Energy: 0.4402149670659702
Energy: 0.45477347140490976
Energy: 0.42722863592871047
Energy: 0.4953206738323431
Energy: 0.41996223500186614
Energy: 0.41993452184051716
Energy: 0.436067103144544
Energy: 0.41923262418209256
Energy: 0.41977928357589084
Energy: 0.491987671522357
Energy: 0.4151216414258127
Energy: 0.4122726038590283
Energy: 0.44209818731102846
Energy: 0.4346796799172569
Energy: 0.40607585459207735
Energy: 0.49422455498647344
Energy: 0.46143445043805514
Energy: 0.43468514497860183
Energy: 0.4424865491484253
Energy: 0.4185308890829182
Energy: 0.4413572851779004
Energy: 0.433057864103325
Energy: 0.4487542782030204
Energy: 0.45470619725504063
Energy: 0.426943828998457
Energy: 0.48185198166840104
Energy: 0.4429886921914192
Energy: 0.43443363031966253
Energy: 0.4124044786075379
Energy: 0.41236625213996264
Energy: 0.43506860087795446
Energy: 0.4304390756981851
Energy: 0.406125404727203
Energy: 0.4359612825431398
Energy: 0.4342621721285592
Energy: 0.41920776488661954
Energy: 0.4267746330837358
Energy: 0.430911774916665
Energy: 0.4194542945962609
Energy: 0.42653381557502007
Energy: 0.41630594949981137
Energy: 0.4194779939842939
Energy: 0.42613565798751984
Energy: 0.41797676142229695
Energy: 0.4479392697729685
Energy: 0.42642106657355827
Energy: 0.4283836152793838
Energy: 0.41065457336497313
Energy: 0.42690986906459066
Energy: 0.4242166680130445
Energy: 0.424128678686692
Energy: 0.4244998541512537
Energy: 0.42877610640384234
Energy: 0.38132040923670146
Energy: 0.4245321993150129
Energy: 0.43239573908634493
Energy: 0.40927936196104225
Energy: 0.4568323122986404
Energy: 0.4149495306991918
Energy: 0.4266019224020758
Energy: 0.45734033987526457
Energy: 0.402986974062965
Energy: 0.4543883743660709
Energy: 0.4293492295467768
Energy: 0.4315343094518943
Energy: 0.4043452502147168
Energy: 0.42639952303122514
Energy: 0.42921803908711015
Energy: 0.4045298856303569
Energy: 0.4277194452987886
Energy: 0.4209751555768076
Energy: 0.4014129510832754
Energy: 0.42056377502625003
Energy: 0.4301848683587312
Energy: 0.4135892701135269
Energy: 0.5033934400669546
Energy: 0.42942620252718894
Energy: 0.43851692209963566
Energy: 0.4279985348218541
Energy: 0.4236501864219479
Energy: 0.42429142305496625
Energy: 0.46128304256773217
Energy: 0.435275753101047
Energy: 0.4356237295012064
Energy: 0.46084979056543585
Energy: 0.435410808313093
Energy: 0.4361095754350183
Energy: 0.46262502538180494
Energy: 0.4256376000215542
Energy: 0.42721326466428766
Energy: 0.4628449086055235
Energy: 0.4617430342124238
Energy: 0.425266138967592
Energy: 0.46064514394475586
Energy: 0.4254732073778919
Energy: 0.4365477713905599
Energy: 0.4385521641821848
Energy: 0.44813246626890696
Energy: 0.4362184932496432
Energy: 0.5089951798324827
Energy: 0.41579902353256387
Energy: 0.419916479445704
Energy: 0.406474689605785
Energy: 0.4204421585244211
Energy: 0.414143719653617
Energy: 0.5140961948454891
Energy: 0.4237284359831841
Energy: 0.41956762039069245
Energy: 0.43753555412886425
Energy: 0.42124488347430605
Energy: 0.4197723739722003
Energy: 0.5040849264682715
Energy: 0.425648975125169
Energy: 0.4255052608481011
Energy: 0.44849599129109063
Energy: 0.4259661057122398
Energy: 0.40433015772882236

minimum gb energy = 0.38132040923670146 eV
minimum distance =  2.56391617294006 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.6901224583701725
Energy: 0.45477149918511506
Energy: 0.43659249447940035
Energy: 0.43782551252588053
Energy: 0.43430080184536235
Energy: 0.45010152541551146
Energy: 0.4823465945124268
Energy: 0.4367794243274066
Energy: 0.42828851613458124
Energy: 0.46169833734679705
Energy: 0.4378044143772135
Energy: 0.4245760190365209
Energy: 0.4996507582169844
Energy: 0.4322673788021276
Energy: 0.4259304397868223
Energy: 0.44588661557915243
Energy: 0.4246097250309812
Energy: 0.42096395476719384
Energy: 0.5065429082139967
Energy: 0.4632292160619149
Energy: 0.43408055588663513
Energy: 0.48429621417495433
Energy: 0.5069003132467689
Energy: 0.4467117012856584
Energy: 0.5033902880943685
Energy: 0.443538695364751
Energy: 0.4431389023365095
Energy: 0.44996489017536306
Energy: 0.42434458610714315
Energy: 0.43985719569922505
Energy: 0.5171877838338633
Energy: 0.45947574538002295
Energy: 0.44236517164275035
Energy: 0.5160549607353373
Energy: 0.438792496359865
Energy: 0.44236918446733436
Energy: 0.5161600592526061
Energy: 0.4824914710104195
Energy: 0.4494109028114786
Energy: 0.5161407381418647
Energy: 0.4738482973418028
Energy: 0.4496895117620092
Energy: 0.47829825463907005
Energy: 0.44083038852989026
Energy: 0.43592520832117476
Energy: 0.4236090868126439
Energy: 0.4271437943630195
Energy: 0.43625539164247684
Energy: 0.4655909825656743
Energy: 0.42867877856634196
Energy: 0.44060451360013764
Energy: 0.45910041588445066
Energy: 0.44621054207418914
Energy: 0.44329397079701754
Energy: 0.46642144307912237
Energy: 0.4478151853835118
Energy: 0.4463225344377461
Energy: 0.46512841252621967
Energy: 0.4466513364160271
Energy: 0.44245539709714043
Energy: 0.4882336852743742
Energy: 0.41142369058688855
Energy: 0.41105185625536295
Energy: 0.43672803814855393
Energy: 0.41117354744907736
Energy: 0.44397054922152446
Energy: 0.4497510239814072
Energy: 0.39874336352662565
Energy: 0.43017986565172356
Energy: 0.4499613381083321
Energy: 0.41615432901189364
Energy: 0.4344786305134729
Energy: 0.4491347434589789
Energy: 0.41617971553946254
Energy: 0.4364400786112821
Energy: 0.4491607777131185
Energy: 0.4455285386985709
Energy: 0.4381774384196902
Energy: 0.45906493878682697
Energy: 0.4271638272879345
Energy: 0.4471128185721784
Energy: 0.45819029119599264
Energy: 0.4220326307719998
Energy: 0.4525857350440435
Energy: 0.47293903683821453
Energy: 0.42362230734557943
Energy: 0.46459611790818384
Energy: 0.47394869875688994
Energy: 0.4522779465284313
Energy: 0.46430508950251
Energy: 0.4690899580327463
Energy: 0.4465975313714477
Energy: 0.44705657206155275
Energy: 0.4683377478912711
Energy: 0.4028630487995508
Energy: 0.4475224095645992
Energy: 0.4697416296548777
Energy: 0.45029159618363557
Energy: 0.45379567179732305
Energy: 0.4624157193262334
Energy: 0.40335222015236555
Energy: 0.4774621915904512
Energy: 0.47488067325989863
Energy: 0.47818096020194367
Energy: 0.46382650702762285
Energy: 0.4532003812321054
Energy: 0.4932412517787671
Energy: 0.436262603840525
Energy: 0.4762918857369585
Energy: 0.4448109657421441
Energy: 0.44639931652361525
Energy: 0.4559249774645247
Energy: 0.4555950098426208
Energy: 0.443964937893086
Energy: 0.5086135233025988
Energy: 0.4537628271759892
Energy: 0.4538135327303284
Energy: 0.47506181372910816
Energy: 0.4723553024757106
Energy: 0.45330866857282553
Energy: 0.5588328950362947
Energy: 0.49098525113498576
Energy: 0.46802892931109064
Energy: 0.523273631616678
Energy: 0.49454536455800574
Energy: 0.4308873778379908
Energy: 0.4812851988525724
Energy: 0.454752712627603
Energy: 0.4355734530078403
Energy: 0.449467869140194
Energy: 0.4546844054649621
Energy: 0.43552422014444175
Energy: 0.5084710024199144
Energy: 0.44367430821880177
Energy: 0.44409493229255637
Energy: 0.4536909692779207
Energy: 0.4488274614496044
Energy: 0.44437322039775506
Energy: 0.5626116284949422
Energy: 0.45269790024657713
Energy: 0.45283270633630657
Energy: 0.4357569739496989
Energy: 0.46010528988482235
Energy: 0.4521482135857035
Energy: 0.508334972502169
Energy: 0.4713910852460584
Energy: 0.463125375399698
Energy: 0.46784932008281
Energy: 0.4469831316282578
Energy: 0.4619369794076653
Energy: 0.5168397061102963
Energy: 0.4460308251499419
Energy: 0.44785095845451534
Energy: 0.48092873424441673
Energy: 0.43685464775212546
Energy: 0.4491585150037753
Energy: 0.5154026597123587
Energy: 0.4653250902672605
Energy: 0.4649098980398455
Energy: 0.5161478149104026
Energy: 0.4655339312123209
Energy: 0.4606162871808196
Energy: 0.4738903180421381
Energy: 0.4334005485679807
Energy: 0.4372698169170159
Energy: 0.47430503753270287
Energy: 0.44909695195949606
Energy: 0.4618129820053554
Energy: 0.4632517709246128
Energy: 0.42711784065505815
Energy: 0.4358562202729397
Energy: 0.46311546960905886
Energy: 0.44892270972579273
Energy: 0.4509730423676655
Energy: 0.46336836979034257
Energy: 0.45024860713960313
Energy: 0.44971953425092803
Energy: 0.4639162762912483
Energy: 0.45059701645346745
Energy: 0.4512620998898725
Energy: 0.48352013475632877
Energy: 0.3778029300792687
Energy: 0.37806054672405826
Energy: 0.47992309201302474
Energy: 0.3458457551710191
Energy: 0.40264790069814094
Energy: 0.4502265924127794
Energy: 0.39908481632716086
Energy: 0.4066494144681923
Energy: 0.44705100666018804
Energy: 0.41573978561066843
Energy: 0.4314354484247233
Energy: 0.45195146197911057
Energy: 0.4024040046980134
Energy: 0.43386526680695303
Energy: 0.4476181044848315
Energy: 0.4521789874556191
Energy: 0.4385759505556098
Energy: 0.45408480343649565
Energy: 0.44308701331067535
Energy: 0.43866862730104106
Energy: 0.45235188273137467
Energy: 0.42090264782798914
Energy: 0.43870647759354925
Energy: 0.46923367590764176
Energy: 0.430769394313032
Energy: 0.4388928185953623
Energy: 0.46800817289459645
Energy: 0.4629874194722933
Energy: 0.46832767719116153
Energy: 0.4673148868399716
Energy: 0.44410495402743816
Energy: 0.44280134449056524
Energy: 0.46170220424787806
Energy: 0.4526486307171516
Energy: 0.44525416918769334
Energy: 0.46943232522567774
Energy: 0.47087471286749005
Energy: 0.4356817298265418
Energy: 0.4474140319281551
Energy: 0.45728169688215137
Energy: 0.46272413722401934
Energy: 0.4766534701092226
Energy: 0.44313666179299127
Energy: 0.43590211588756156
Energy: 0.4569779823897067
Energy: 0.4442454650810606
Energy: 0.46183831064110153
Energy: 0.47466636907699
Energy: 0.4279223597774428
Energy: 0.43465030885886546
Energy: 0.4528797704865934
Energy: 0.4452978613035502
Energy: 0.4388167082264943
Energy: 0.5031808973054545
Energy: 0.44043588941693945
Energy: 0.4403308715216446
Energy: 0.447073149067168
Energy: 0.4515314884557938
Energy: 0.43033568456944754
Energy: 0.5450513880018119
Energy: 0.4605831383142755
Energy: 0.3881732818332402
Energy: 0.44292895904365276
Energy: 0.4606677521840272
Energy: 0.4018424192381454

minimum gb energy = 0.3458457551710191 eV
minimum distance =  2.63038851677957 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.5849280434735394
Energy: 0.4246212035243561
Energy: 0.42504378822794925
Energy: 0.5840910979508487
Energy: 0.40875330906256313
Energy: 0.41312205613522374
Energy: 0.48997303682440185
Energy: 0.39648883469020474
Energy: 0.3971309183395349
Energy: 0.3963538769834967
Energy: 0.40522862333993503
Energy: 0.38803956084431296
Energy: 0.4771537116555898
Energy: 0.3867436533206854
Energy: 0.3867268779621497
Energy: 0.41029054067731713
Energy: 0.3887156589507146
Energy: 0.3871116522848236
Energy: 0.4991811031244167
Energy: 0.43454394819166275
Energy: 0.38735036646932464
Energy: 0.36390435548798616
Energy: 0.46088752876857475
Energy: 0.3920174041575992
Energy: 0.45464194735809615
Energy: 0.4167246056017721
Energy: 0.41802417313784895
Energy: 0.3999332770664333
Energy: 0.380846943151673
Energy: 0.41666633162948696
Energy: 0.454486369156297
Energy: 0.4116518426398019
Energy: 0.4090734620768582
Energy: 0.3900477092062113
Energy: 0.38055967658063294
Energy: 0.4091978612229995
Energy: 0.4546855168120238
Energy: 0.4221302646920258
Energy: 0.4152512678005634
Energy: 0.38962564395728994
Energy: 0.41007660958525805
Energy: 0.4166733370302809
Energy: 0.46142959280163287
Energy: 0.3753054245760921
Energy: 0.37564711667290895
Energy: 0.4610798784540066
Energy: 0.36303151918209814
Energy: 0.3761352529926707
Energy: 0.41730675784760213
Energy: 0.3755125243898623
Energy: 0.37555534374570326
Energy: 0.3969508648955085
Energy: 0.37552421692711785
Energy: 0.38688115678645013
Energy: 0.4176729768308734
Energy: 0.42084443209805816
Energy: 0.3885748926020945
Energy: 0.39751757234003915
Energy: 0.40177888773009895
Energy: 0.3879375826482873
Energy: 0.41983777756770324
Energy: 0.40466182924003435
Energy: 0.40373104889225275
Energy: 0.42013475114662746
Energy: 0.3950916754168796
Energy: 0.4180896925626747
Energy: 0.4228102851338122
Energy: 0.4109097205189213
Energy: 0.3958598098082844
Energy: 0.3971766527511967
Energy: 0.4047425344645038
Energy: 0.39386985532508156
Energy: 0.42196125995748773
Energy: 0.39361530871108097
Energy: 0.3934120152941022
Energy: 0.397802916800851
Energy: 0.39454641143964236
Energy: 0.39346738840498136
Energy: 0.42183762391334195
Energy: 0.3951405589123324
Energy: 0.3920862806623277
Energy: 0.397690952230971
Energy: 0.3859656822432822
Energy: 0.4196772784349296
Energy: 0.4814682792701536
Energy: 0.3934697363617211
Energy: 0.3943017005442127
Energy: 0.3747716144392328
Energy: 0.43177921500959104
Energy: 0.39474600094932394
Energy: 0.481643930856838
Energy: 0.3863758627785873
Energy: 0.3864373898499015
Energy: 0.4816732240720623
Energy: 0.39786022589547226
Energy: 0.40936680517684954
Energy: 0.45472073783267003
Energy: 0.39554301121046576
Energy: 0.3942975183006123
Energy: 0.40091236165620003
Energy: 0.38972363878134997
Energy: 0.39395616849716936
Energy: 0.5136846128029724
Energy: 0.3974020886973312
Energy: 0.4056639455789303
Energy: 0.4151897591496796
Energy: 0.3976337609714025
Energy: 0.39581497692252277

minimum gb energy = 0.36303151918209814 eV
minimum distance =  2.66398448582821 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.49228800921446636
Energy: 0.3676361467088302
Energy: 0.33315853724516614
Energy: 0.4921518964333838
Energy: 0.3423651664388251
Energy: 0.332694588963973
Energy: 0.4492872339586575
Energy: 0.34094151356024976
Energy: 0.3408554972208567
Energy: 0.33538189577910865
Energy: 0.3412581402889571
Energy: 0.34027752406651385
Energy: 0.39822286399656287
Energy: 0.3411870308121495
Energy: 0.3415007797740615
Energy: 0.32124461298892715
Energy: 0.34164775486176396
Energy: 0.3413909192918481
Energy: 0.4219978369577606
Energy: 0.34248702990114854
Energy: 0.34158239223428144
Energy: 0.4011341693457276
Energy: 0.39938583463524363
Energy: 0.3417004558732445
Energy: 0.4258555413958285
Energy: 0.3348777569279316
Energy: 0.33536081464114226
Energy: 0.352174259913349
Energy: 0.33509768133771545
Energy: 0.33516700485988166
Energy: 0.42538949760129957
Energy: 0.3104082221226646
Energy: 0.33482426833682677
Energy: 0.42451360530973103
Energy: 0.3116253336219594
Energy: 0.33526613955141304
Energy: 0.42576148123318663
Energy: 0.33480135262271016
Energy: 0.33490621576098467
Energy: 0.33476894358023734
Energy: 0.38413897563846555
Energy: 0.3545733940095607
Energy: 0.39854162266501886
Energy: 0.3111207656549647
Energy: 0.31047181228542653
Energy: 0.3986995833495294
Energy: 0.488853643428522
Energy: 0.3106468383951526
Energy: 0.3612916648543736
Energy: 0.3106194750778243
Energy: 0.31072703301150983
Energy: 0.34108826963513794
Energy: 0.3107311315346675
Energy: 0.3104325812738456
Energy: 0.36247026193998416
Energy: 0.32070935135778394
Energy: 0.32166476626501483
Energy: 0.34236179752188284
Energy: 0.3213004201552441
Energy: 0.3216582604365967
Energy: 0.3620457558330686
Energy: 0.3334997416924042
Energy: 0.3333800353071364
Energy: 0.3421047539136897
Energy: 0.4018584947710979
Energy: 0.32155798382390216
Energy: 0.4259441622279121
Energy: 0.3345696619668157
Energy: 0.33449150026706215
Energy: 0.3528073565026602
Energy: 0.3213195580417066
Energy: 0.340411829449676
Energy: 0.3555551138637922
Energy: 0.3537727652678839
Energy: 0.3373356133915144
Energy: 0.31087275643631557
Energy: 0.3523320319305183
Energy: 0.33688118505969783
Energy: 0.4263365266107026
Energy: 0.3352355981505461
Energy: 0.335171949644648
Energy: 0.3532127188605996
Energy: 0.3358794240661034
Energy: 0.33473809831373336
Energy: 0.48977833410099714
Energy: 0.3406625992192289
Energy: 0.34083824794295714
Energy: 0.31073836139043404
Energy: 0.39833628803115123
Energy: 0.3105259254215076
Energy: 0.49085923568897505
Energy: 0.3414272525232946
Energy: 0.3105310904686871
Energy: 0.4903471700272704
Energy: 0.3414003232653891
Energy: 0.31066918323362147
Energy: 0.42562361800641685
Energy: 0.3220349546855299
Energy: 0.32230190061274805
Energy: 0.33488097919614246
Energy: 0.3209375466359939
Energy: 0.3221813852859187
Energy: 0.42236177065217784
Energy: 0.3419431144489925
Energy: 0.3415163434628959
Energy: 0.3331131918734933
Energy: 0.3418923929622016
Energy: 0.3418103324734596
Energy: 0.42295253554688966
Energy: 0.3411528660900945
Energy: 0.3411591071402393
Energy: 0.3337261201285028
Energy: 0.34061974077083546
Energy: 0.34113422946084354
Energy: 0.4260735714973057
Energy: 0.3105628359754173
Energy: 0.33493534931607843
Energy: 0.3536317863383267
Energy: 0.31082073875077326
Energy: 0.3347524452695169
Energy: 0.4251306478928239
Energy: 0.3352647047543836
Energy: 0.3541109420063038
Energy: 0.42533338369187285
Energy: 0.35331972229312836
Energy: 0.35304787367352186
Energy: 0.42588508619234916
Energy: 0.3397528290781297
Energy: 0.3355665858883343
Energy: 0.33602695873989313
Energy: 0.3865861811584393
Energy: 0.35317466652254603
Energy: 0.3989746673736831
Energy: 0.3106061231589515
Energy: 0.3108662879089235
Energy: 0.3988276998496169
Energy: 0.4915167884083571
Energy: 0.33326154084461174
Energy: 0.3620572211629001
Energy: 0.3348394371596991
Energy: 0.3408097947696802
Energy: 0.3413373625141513
Energy: 0.3292058948278085
Energy: 0.34076570312188637
Energy: 0.36255629154847
Energy: 0.32081578376429426
Energy: 0.34122608437886803
Energy: 0.34187929191201066
Energy: 0.32075485088324707
Energy: 0.3415755276232247
Energy: 0.3998335688201246
Energy: 0.33305766751689764
Energy: 0.3331746828707419
Energy: 0.3988713963673639
Energy: 0.3331059723665446
Energy: 0.3413520281216809
Energy: 0.4257810170781774
Energy: 0.3347411180283385
Energy: 0.33511057054236315
Energy: 0.334678219554092
Energy: 0.33438349428202524
Energy: 0.3354617475471337
Energy: 0.35504020461949454
Energy: 0.3354219074861916
Energy: 0.3350246475221084
Energy: 0.31149304703971764
Energy: 0.3346763407618711
Energy: 0.3348703152304303
Energy: 0.40102055468291853
Energy: 0.3356728921543409
Energy: 0.3356121238473328
Energy: 0.34060102727639646
Energy: 0.3346700453367002
Energy: 0.3348961762636244
Energy: 0.49042557594996117
Energy: 0.3984843576562269
Energy: 0.3104510866357902
Energy: 0.48963511187636605
Energy: 0.3986282523102687
Energy: 0.3103784760064271

minimum gb energy = 0.3103784760064271 eV
minimum distance =  2.7201217524701 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.4232065804726813
Energy: 0.3768651057439935
Energy: 0.4226269134847108
Energy: 0.4239656054461756
Energy: 0.3562663229088263
Energy: 0.38102475024580007
Energy: 0.34022674707680794
Energy: 0.3748156180341387
Energy: 0.37515513992213384
Energy: 0.4077922863267756
Energy: 0.37466939926926507
Energy: 0.3451296257527084
Energy: 0.38313880388543375
Energy: 0.3443919496971694
Energy: 0.34435413554475697
Energy: 0.3234343579747276
Energy: 0.34539998497873686
Energy: 0.34436990757582925
Energy: 0.37662423589616556
Energy: 0.38148187809130946
Energy: 0.34499387558224537
Energy: 0.3647334727135729
Energy: 0.4329730087530093
Energy: 0.34474591009478134
Energy: 0.41472334034170816
Energy: 0.30530291299685136
Energy: 0.32528873241881173
Energy: 0.36032881135566325
Energy: 0.3060882465113994
Energy: 0.3515171668570292
Energy: 0.3626591190171
Energy: 0.30571341418530457
Energy: 0.3060067254534914
Energy: 0.34503539779021913
Energy: 0.42590218032188565
Energy: 0.3053432179919749
Energy: 0.362146720350668
Energy: 0.3477939201830642
Energy: 0.34460462761432176
Energy: 0.34514477977858854
Energy: 0.3231037846625776
Energy: 0.34462327304596424
Energy: 0.3740343053828047
Energy: 0.34542152408634247
Energy: 0.34345801323951464
Energy: 0.37417791970051795
Energy: 0.34536322294463534
Energy: 0.3454575326629104
Energy: 0.4026220122100986
Energy: 0.34348608193913205
Energy: 0.3468482315214096
Energy: 0.3542211193974365
Energy: 0.32281944507689087
Energy: 0.3816751793390081
Energy: 0.38343336196549604
Energy: 0.32541894553760997
Energy: 0.3234998110495535
Energy: 0.36809431831392225
Energy: 0.32396408113391184
Energy: 0.32358189388333347
Energy: 0.3832429338607633
Energy: 0.35073509383856244
Energy: 0.3503677095759316
Energy: 0.32365132389952267
Energy: 0.3666910748643412
Energy: 0.32395402944502394
Energy: 0.41966478475902225
Energy: 0.35452226710090573
Energy: 0.3545237120903114
Energy: 0.34706933512271115
Energy: 0.3541523121128952
Energy: 0.3248365131259777

minimum gb energy = 0.30530291299685136 eV
minimum distance =  2.65188232849183 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.7932119241029404
Energy: 0.3736180917617574
Energy: 0.2985899201640511
Energy: 0.3169130425589102
Energy: 0.3049823669313797
Energy: 0.32196288421799946
Energy: 0.32427956249249623
Energy: 0.3055346810771805
Energy: 0.30461904339231477
Energy: 0.3432939588647704
Energy: 0.30445171367284096
Energy: 0.3041697888947365
Energy: 0.3232697855658719
Energy: 0.30375917275934655
Energy: 0.30435847274205957
Energy: 0.3084511244694361
Energy: 0.3041434278030575
Energy: 0.304766430763287
Energy: 0.3247981609370804
Energy: 0.33317020764970884
Energy: 0.30472924319157213
Energy: 0.327311078548437
Energy: 0.3069303841920224
Energy: 0.33497055021298483
Energy: 0.36118341952417593
Energy: 0.3306797381845295
Energy: 0.3430958871388795
Energy: 0.3184899116901899
Energy: 0.3301082181390028
Energy: 0.32110522200301034
Energy: 0.3258459069585183
Energy: 0.3022854870872268
Energy: 0.3014619693029557
Energy: 0.32612109566387926
Energy: 0.30380541924996723
Energy: 0.3014237862965445
Energy: 0.32723127839981225
Energy: 0.3227891971428692
Energy: 0.3272844497963103
Energy: 0.32730603288159044
Energy: 0.3785056852556921
Energy: 0.32725161970909106
Energy: 0.31658617804316724
Energy: 0.3204195786084962
Energy: 0.3189439805813933
Energy: 0.31655971845688735
Energy: 0.3202377732335816
Energy: 0.3161012797281203
Energy: 0.3127350092186466
Energy: 0.32044173732090275
Energy: 0.3463929681745066
Energy: 0.31292029448486797
Energy: 0.32058293784519604
Energy: 0.31923340802278355
Energy: 0.3020465890920913
Energy: 0.31451169992703315
Energy: 0.3171351544369946
Energy: 0.3058075574714143
Energy: 0.31347113634549284
Energy: 0.3337384007986481
Energy: 0.29838906692673156
Energy: 0.3157668888096086
Energy: 0.31579635717423016
Energy: 0.2775497548427298
Energy: 0.31584290273849086
Energy: 0.3157263811743586
Energy: 0.3138320807922673
Energy: 0.3216838780013505
Energy: 0.3215984755320204
Energy: 0.3143059037206336
Energy: 0.32162257388968085
Energy: 0.32147825636819144
Energy: 0.4459567902807898
Energy: 0.3254024204376009
Energy: 0.32679842808643644
Energy: 0.3409670087908475
Energy: 0.3278352608018773
Energy: 0.34616878092040376
Energy: 0.35206921103268324
Energy: 0.32228136041395405
Energy: 0.3223603418557702
Energy: 0.3512935547478288
Energy: 0.35270988852553575
Energy: 0.2948742008888498
Energy: 0.3139554134470053
Energy: 0.33281279029363336
Energy: 0.3331087465968518
Energy: 0.3035040683666177
Energy: 0.34690272007371076
Energy: 0.3403422437746398
Energy: 0.3147350468571138
Energy: 0.316970049713984
Energy: 0.30356526244637433
Energy: 0.30483533687519826
Energy: 0.333102991826426
Energy: 0.30327963976633227
Energy: 0.3143293250247966
Energy: 0.3142527386920759
Energy: 0.32045696389843104
Energy: 0.3035450293723324
Energy: 0.33257759570704715
Energy: 0.3142151461404997
Energy: 0.3446677828157283
Energy: 0.31387772554886834
Energy: 0.32470408019123426
Energy: 0.34473186817849494
Energy: 0.354910979900326
Energy: 0.3248345865837608
Energy: 0.3225525267949934
Energy: 0.29438413539739283
Energy: 0.294108642110827
Energy: 0.3057363508113188
Energy: 0.31872354254186164
Energy: 0.30700561167711954
Energy: 0.32389472126205016
Energy: 0.30816025159647426
Energy: 0.31034236131860354
Energy: 0.3133430202026157
Energy: 0.3080880512872186
Energy: 0.2944291071960148
Energy: 0.3225201447373281
Energy: 0.3065805494205355
Energy: 0.3069925055691447
Energy: 0.3122119751624382
Energy: 0.3084727511699603
Energy: 0.29329412470233784
Energy: 0.335545297705462
Energy: 0.3046141519679925
Energy: 0.33939566124655074
Energy: 0.33546714463206767
Energy: 0.34711958289170547
Energy: 0.3019131139233966
Energy: 0.3322710807411544
Energy: 0.3054928870501655
Energy: 0.3053037105594906
Energy: 0.3319288194840187
Energy: 0.305279472285295
Energy: 0.334337858337247
Energy: 0.3232196654058832
Energy: 0.3042516578670328
Energy: 0.30432533997378897
Energy: 0.3060924692299337
Energy: 0.30452262318932555
Energy: 0.3044928782407462
Energy: 0.45207019080001626
Energy: 0.3032560108317148
Energy: 0.3032921083121193
Energy: 0.3518795216259046
Energy: 0.3046875702778443
Energy: 0.34212506466311454
Energy: 0.3226519749834438
Energy: 0.31462952952468776
Energy: 0.3172887382056031
Energy: 0.3120336018961341
Energy: 0.32355637098765205
Energy: 0.32718506548540105
Energy: 0.3721462399459388
Energy: 0.344918480646934
Energy: 0.34550793246934336
Energy: 0.372501224713342
Energy: 0.33822004024410113
Energy: 0.43959481366314546
Energy: 0.3206192901754636
Energy: 0.29619203533862337
Energy: 0.3209168050914061
Energy: 0.32078681134574555
Energy: 0.3431047967338028
Energy: 0.32120986544536195
Energy: 0.3150619217190767
Energy: 0.31891570946577213
Energy: 0.31549368529769367
Energy: 0.31537575231123155
Energy: 0.3209660609309237
Energy: 0.3156066385951076
Energy: 0.31308472710687935
Energy: 0.31777999489543307
Energy: 0.31907987253960335
Energy: 0.3132342741272995
Energy: 0.32116854959321217
Energy: 0.3172564660167116
Energy: 0.2984457326600577
Energy: 0.31622370938001243
Energy: 0.3200163158290601
Energy: 0.2783894587940791
Energy: 0.31324789159215805
Energy: 0.36140029107501914
Energy: 0.30127922741966856
Energy: 0.31678108358709783
Energy: 0.3154310003629776
Energy: 0.37538417680323666
Energy: 0.3168497391230839
Energy: 0.329265055790692
Energy: 0.31809815052602364
Energy: 0.32736969851402303
Energy: 0.3264557905455611
Energy: 0.3073102801818603
Energy: 0.3281764958442606
Energy: 0.32623037784841324
Energy: 0.3184168266386311
Energy: 0.3236779071038669
Energy: 0.32377910742760146
Energy: 0.3088367741364853
Energy: 0.326849434801757
Energy: 0.3152346933262278
Energy: 0.31539728466950534
Energy: 0.3210690582448302
Energy: 0.32116177534282164
Energy: 0.3064874542207417
Energy: 0.3722593231474823
Energy: 0.3572070704804233
Energy: 0.3164803167453084
Energy: 0.3338104740111271
Energy: 0.33861192203916657
Energy: 0.30631524687732686
Energy: 0.3354440306159637
Energy: 0.3065035333241353
Energy: 0.31436718932542834
Energy: 0.3199562792937845
Energy: 0.3034782483916997
Energy: 0.3037136760386519
Energy: 0.3210470558425001
Energy: 0.30328477905290446
Energy: 0.3140761193378349
Energy: 0.31762926541148406
Energy: 0.30439766202547686
Energy: 0.30300958209053014
Energy: 0.3167568322877674
Energy: 0.3044871249843549
Energy: 0.31560026365452953
Energy: 0.34729216838139354
Energy: 0.345886559310461
Energy: 0.35143826280240703
Energy: 0.3475888418926095
Energy: 0.3309738858502336
Energy: 0.32210524366957005
Energy: 0.3171297377755506
Energy: 0.3017675679026153
Energy: 0.31161402180030645
Energy: 0.3686501636324663
Energy: 0.3040142178084763
Energy: 0.323181492075889
Energy: 0.30826458811204416
Energy: 0.29353052233962845
Energy: 0.3122764994239958
Energy: 0.307345685665786
Energy: 0.30783744834609167
Energy: 0.32252659897494884
Energy: 0.3088843979531884
Energy: 0.3077660459985722
Energy: 0.311788791757068
Energy: 0.30848516662422004
Energy: 0.2959286479893244
Energy: 0.33237439382704476
Energy: 0.30515364558563723
Energy: 0.3056780851105022
Energy: 0.3318605130467663
Energy: 0.3132114158904787
Energy: 0.3277906716782282

minimum gb energy = 0.2775497548427298 eV
minimum distance =  2.65549273421939 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.11982892823775598
Energy: 0.12581022412767173
Energy: 0.12556927125776876
Energy: 0.12132040087008725
Energy: 0.12506344478609158
Energy: 0.12039128326532972
Energy: 0.12017437731182161
Energy: 0.13971445952293002
Energy: 0.14565812515818008
Energy: 0.14099956683185064
Energy: 0.14132496585445325
Energy: 0.14494538753395983
Energy: 0.1632022470085923
Energy: 0.1394557303144296
Energy: 0.1395352768010524
Energy: 0.16331759755643158
Energy: 0.13942549669818033
Energy: 0.13952853752224
Energy: 0.16310869530327965
Energy: 0.13936508117684376
Energy: 0.1394149808534929
Energy: 0.16347409735377327
Energy: 0.16328286442496606
Energy: 0.16369349631944752
Energy: 0.16395632015751774
Energy: 0.12016263641026448
Energy: 0.13507780243484446
Energy: 0.1645333923440898
Energy: 0.1200644334281876
Energy: 0.13958199203808935
Energy: 0.13930743991482766
Energy: 0.120033112414457
Energy: 0.12025416402358606
Energy: 0.13935622079662283
Energy: 0.12005730343076007
Energy: 0.13483498513774178
Energy: 0.13983660512455592
Energy: 0.14526339503087263
Energy: 0.14599663733373633
Energy: 0.1403755135023183
Energy: 0.1394737192247926
Energy: 0.1460083971132266
Energy: 0.13934699531593428
Energy: 0.16351019934305086
Energy: 0.16346183267254247
Energy: 0.13937280596427382
Energy: 0.16382295462416746
Energy: 0.13934230956056998
Energy: 0.16388929726587417
Energy: 0.16402427921584908
Energy: 0.16488665157005145
Energy: 0.16460588981861532
Energy: 0.16347572432390484
Energy: 0.1394552724733459
Energy: 0.12009909771950009
Energy: 0.14050661136146408
Energy: 0.13557588082854433
Energy: 0.11998861511009053
Energy: 0.1633974518484279
Energy: 0.12129859048996004
Energy: 0.11999316225329847
Energy: 0.13961396236582568
Energy: 0.14527654043705776
Energy: 0.12001475494369562
Energy: 0.13942071611177867
Energy: 0.13719628207919085
Energy: 0.16472793019447748
Energy: 0.13975977063778863
Energy: 0.13957878736444254
Energy: 0.16410392500509602
Energy: 0.13987456093833434
Energy: 0.14459661873087154
Energy: 0.16308577230639892
Energy: 0.16313541473999568
Energy: 0.16340530965442024
Energy: 0.16358160968626054
Energy: 0.16303309463539975
Energy: 0.16337465604391288
Energy: 0.16472315807638255
Energy: 0.13972212299023784
Energy: 0.1396226759018812
Energy: 0.16498757782640228
Energy: 0.14103040462117292
Energy: 0.13957793660547982
Energy: 0.1633241442544518
Energy: 0.12000797967141817
Energy: 0.12012272544828684
Energy: 0.16334585657173814
Energy: 0.12278131206668416
Energy: 0.13544282303869618
Energy: 0.1417467837813275
Energy: 0.14006898083105412
Energy: 0.1454469412419818
Energy: 0.14190400652723065
Energy: 0.12015636791395493
Energy: 0.14532517977531653
Energy: 0.13945782859712358
Energy: 0.1638917793182335
Energy: 0.1396731638639212
Energy: 0.13947236641717242
Energy: 0.16468910612450063
Energy: 0.13952291685414228
Energy: 0.16323343361633363
Energy: 0.16353973037672023
Energy: 0.16350827954121006
Energy: 0.1632664629247166
Energy: 0.14087964336163777
Energy: 0.13944056360076942
Energy: 0.12002842151354884
Energy: 0.16420303902331024
Energy: 0.13964832235195426
Energy: 0.12007742157388523
Energy: 0.164992528627373
Energy: 0.13964231072965566

minimum gb energy = 0.11982892823775598 eV
minimum distance =  2.68594392687452 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.37955986377376816
Energy: 0.30109059259841786
Energy: 0.3127615197249668
Energy: 0.25297758555259103
Energy: 0.2774926160331988
Energy: 0.31419803418880643
Energy: 0.29681347295415567
Energy: 0.28444541761207454
Energy: 0.28445087422721044
Energy: 0.30909104637856993
Energy: 0.2846493892303013
Energy: 0.2709882949977278
Energy: 0.2848580407142596
Energy: 0.28282517937687546
Energy: 0.28067970304260464
Energy: 0.28571829431772416
Energy: 0.2820810284652823
Energy: 0.2842203196423934
Energy: 0.28499179089641635
Energy: 0.2990169446364905
Energy: 0.28320072516313627
Energy: 0.28566560500895793
Energy: 0.28622744518770893
Energy: 0.28082182562768876
Energy: 0.2849791034672686
Energy: 0.268383815628267
Energy: 0.2449032915604611
Energy: 0.2852523754721652
Energy: 0.2992974274848385
Energy: 0.2929591478054108
Energy: 0.3677896673257965
Energy: 0.278522094358633
Energy: 0.2454407595697103
Energy: 0.3677357811907088
Energy: 0.30121960387595237
Energy: 0.28232397103686807
Energy: 0.36777426542658165
Energy: 0.28078494314121655
Energy: 0.2754835038192909
Energy: 0.29009362153719864
Energy: 0.2975823801096652
Energy: 0.2874681491652682
Energy: 0.29531189665934143
Energy: 0.281514988608541
Energy: 0.2806981523927911
Energy: 0.29651609398463374
Energy: 0.28100490953352064
Energy: 0.27677507600396284
Energy: 0.37139763897451683
Energy: 0.28266617219569073
Energy: 0.2826072292345948
Energy: 0.2845429068110489
Energy: 0.28505426166767883
Energy: 0.270459514172735
Energy: 0.3410800367612944
Energy: 0.28250465876868885
Energy: 0.2825152401217773
Energy: 0.31968997508906827
Energy: 0.28241637785811224
Energy: 0.24497549251060563
Energy: 0.4109926775524576
Energy: 0.28235734832956993
Energy: 0.29100419703273417
Energy: 0.35733786206917206
Energy: 0.36505205147093495
Energy: 0.24455006858612194
Energy: 0.36754075993667784
Energy: 0.26420761295769085
Energy: 0.27845600425391515
Energy: 0.3682319991634924
Energy: 0.26944734005828247
Energy: 0.27914212692666324
Energy: 0.2984902443555034
Energy: 0.26388640645716765
Energy: 0.3054018999717941
Energy: 0.2986673017394319
Energy: 0.268647475264924
Energy: 0.29833416131148965
Energy: 0.3005532619732513
Energy: 0.24958721942191434
Energy: 0.24476518375539252
Energy: 0.30108490080925676
Energy: 0.3038750983094025
Energy: 0.29798748433902883
Energy: 0.2983774009142251
Energy: 0.27777249446536983
Energy: 0.27748663345796143
Energy: 0.29841427647393176
Energy: 0.26418516025200933
Energy: 0.29853663156588006
Energy: 0.43848752919289297
Energy: 0.30177534464807665
Energy: 0.2744587338694582
Energy: 0.4392709216222401
Energy: 0.3003070249781239
Energy: 0.2445576172128959
Energy: 0.3332470896503914
Energy: 0.31064354015556445
Energy: 0.27658784126597796
Energy: 0.2606800540198287
Energy: 0.2992017953065282
Energy: 0.27629991162510986
Energy: 0.3656113252630452
Energy: 0.29846542832350503
Energy: 0.29871457157800174
Energy: 0.2935445233671422
Energy: 0.2982104781265389
Energy: 0.2443814470510231
Energy: 0.3978761929533307
Energy: 0.2999380931493935
Energy: 0.29815045479268687
Energy: 0.28450983381775385
Energy: 0.3018152781597497
Energy: 0.2747961730387695
Energy: 0.32028969861041245
Energy: 0.36480871001075094
Energy: 0.25421819647994487
Energy: 0.2754044333318153
Energy: 0.3129895411405155
Energy: 0.26418619047817454
Energy: 0.4383631935700184
Energy: 0.3016314436438318
Energy: 0.26863121677521373
Energy: 0.3653910599919443
Energy: 0.3045475637479127
Energy: 0.24435801563439236
Energy: 0.43219904211909815
Energy: 0.286043543657595
Energy: 0.3000606805761239
Energy: 0.4324419171424579
Energy: 0.27989564817012447
Energy: 0.29589109674580916
Energy: 0.2831149066182906
Energy: 0.26883755992447916
Energy: 0.26849550732582056
Energy: 0.28294617305965913
Energy: 0.30625301703302127
Energy: 0.2900241028555078
Energy: 0.27918229907302483
Energy: 0.28529740671417725
Energy: 0.28589894404991956
Energy: 0.27957405854545847
Energy: 0.28344698343017355
Energy: 0.2795684484836278
Energy: 0.29030392287688883
Energy: 0.2810375266292306
Energy: 0.2788419348643493
Energy: 0.29098209611469805
Energy: 0.28672518132960095
Energy: 0.283270112905284
Energy: 0.34690581855242225
Energy: 0.28529541286538856
Energy: 0.3065571331023211
Energy: 0.40872836040824867
Energy: 0.2852292570969956
Energy: 0.2710110152936135

minimum gb energy = 0.24435801563439236 eV
minimum distance =  2.60922704642756 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.4204530743105511
Energy: 0.3798921202301634
Energy: 0.37984580558322883
Energy: 0.33413545596154964
Energy: 0.37091992300333904
Energy: 0.3305939373589833
Energy: 0.33367301595006615
Energy: 0.3192069367459748
Energy: 0.31861649328574093
Energy: 0.32991084370531126
Energy: 0.31901607998834053
Energy: 0.3002893318389838
Energy: 0.31380802872085234
Energy: 0.31140399193092216
Energy: 0.31145274221516245
Energy: 0.3134788524067295
Energy: 0.3126856944518597
Energy: 0.29408787112646145
Energy: 0.3161069024653691
Energy: 0.3200653091217896
Energy: 0.2958303355027936
Energy: 0.31427408965688414
Energy: 0.3125189729624346
Energy: 0.31392435079339537
Energy: 0.3193943032491941
Energy: 0.2928875403684965
Energy: 0.2799981142342193
Energy: 0.3194024814078804
Energy: 0.3044729145031596
Energy: 0.30039568175643877
Energy: 0.35169041169365806
Energy: 0.2940058223274894
Energy: 0.3052422599389856
Energy: 0.3251145843199715
Energy: 0.3066121340245221
Energy: 0.31086758959160493
Energy: 0.3524921021107054
Energy: 0.3076573990628863
Energy: 0.2954974183619587
Energy: 0.3179335400081587
Energy: 0.3157439119130697
Energy: 0.2807948453702362
Energy: 0.3380915681535871
Energy: 0.30852929997203943
Energy: 0.3091326859853311
Energy: 0.339080317655079
Energy: 0.30562212949690304
Energy: 0.2812429954430517
Energy: 0.35323251188162996
Energy: 0.3078391947582674
Energy: 0.3094714707600695
Energy: 0.30092432633118005
Energy: 0.3080437083326133
Energy: 0.2980654066200855
Energy: 0.3557968618204709
Energy: 0.3126699514978271
Energy: 0.31237909238310996
Energy: 0.31192553077111795
Energy: 0.31272374422056115
Energy: 0.302401471172227
Energy: 0.35167234054415947
Energy: 0.31183700837830336
Energy: 0.30275421056250085
Energy: 0.3114074044202457
Energy: 0.3273999258506278
Energy: 0.2834861178246237
Energy: 0.4252125595517685
Energy: 0.28452300097187816
Energy: 0.2648276841243806
Energy: 0.31785555650638725
Energy: 0.28409794339748723
Energy: 0.27958737799836864
Energy: 0.31272253656292653
Energy: 0.28296212674520504
Energy: 0.26488915635029636
Energy: 0.31272415747400406
Energy: 0.2840586661957801
Energy: 0.3270873234126917
Energy: 0.30958944610982253
Energy: 0.3023689451471593
Energy: 0.28011815652141897
Energy: 0.3102101656386407
Energy: 0.3046488482725519
Energy: 0.3065871919551365
Energy: 0.3053208919878195
Energy: 0.34391700717832724
Energy: 0.2934286430397024
Energy: 0.3053204469342675
Energy: 0.3040127036772268
Energy: 0.3052161617332273
Energy: 0.3185555511646447
Energy: 0.318480062043925
Energy: 0.3068568463411393
Energy: 0.3185368845785678
Energy: 0.31892561175643186
Energy: 0.3005575596991759
Energy: 0.3771960980269414
Energy: 0.30048112345572153
Energy: 0.28440554652490513
Energy: 0.28562192245823675
Energy: 0.32605035120737874
Energy: 0.3236971357013585
Energy: 0.33588922349365347
Energy: 0.32024145596410675
Energy: 0.32405041477385005
Energy: 0.3187756319850795
Energy: 0.32013541531366374
Energy: 0.2647671932355498
Energy: 0.31357091282670074
Energy: 0.31205308516768726
Energy: 0.3120813084555165
Energy: 0.3136325080147083
Energy: 0.3138635957592935
Energy: 0.29663465454266136
Energy: 0.31197603292065734
Energy: 0.31245306156965647
Energy: 0.30360561948975323
Energy: 0.3123773431188995
Energy: 0.3126048656460858
Energy: 0.3144341129040328
Energy: 0.3189927047744077
Energy: 0.3018294234623001
Energy: 0.28941610016755925
Energy: 0.3190140000142897
Energy: 0.30165334319058085
Energy: 0.29423369180274006
Energy: 0.3171156463908351
Energy: 0.30443133498956765
Energy: 0.3158042080059448
Energy: 0.3172318232032179
Energy: 0.30808063109680606
Energy: 0.31104122821260227
Energy: 0.41785830108278815
Energy: 0.30174271809823183
Energy: 0.30161612868832854
Energy: 0.3188333515902763
Energy: 0.3242316336268872
Energy: 0.30293278112838634
Energy: 0.33784842598566556
Energy: 0.3056867534956601
Energy: 0.3055146580426689
Energy: 0.3387640070406514
Energy: 0.3054401128939941
Energy: 0.33671377930184254
Energy: 0.35290288417896776
Energy: 0.30592801302360756
Energy: 0.305877435617131
Energy: 0.31726521361416965
Energy: 0.3074743808404727
Energy: 0.2955062689488523
Energy: 0.35402583319290803
Energy: 0.31219393824749264
Energy: 0.3120485533246247
Energy: 0.31092310210487517
Energy: 0.3122909341117223
Energy: 0.2797208977572673
Energy: 0.3551929954111059
Energy: 0.31116276123403486
Energy: 0.30403261297504575
Energy: 0.3119064537121357
Energy: 0.31225035406812407
Energy: 0.2794254160373891
Energy: 0.41800712049700034
Energy: 0.2835682743761433
Energy: 0.2926580322018936
Energy: 0.3266908034282798
Energy: 0.2843685068494805
Energy: 0.2797054510159481
Energy: 0.3122818388312436
Energy: 0.26492492972330334
Energy: 0.3179729338012098
Energy: 0.31237931427243926
Energy: 0.28384907743933513
Energy: 0.3223610064499758
Energy: 0.3107589621654732
Energy: 0.293033553469943
Energy: 0.2798922774397077
Energy: 0.31080641559626293
Energy: 0.29289655075746596
Energy: 0.2927097930008692
Energy: 0.3055126513641251
Energy: 0.3073037942873109
Energy: 0.3147830815045071
Energy: 0.30565293601509214
Energy: 0.3125959385411021
Energy: 0.3051364753294501
Energy: 0.3178377533782004
Energy: 0.31308024176939536
Energy: 0.30800920911637636
Energy: 0.31733418899018434
Energy: 0.3130011246725385
Energy: 0.2956400428676358
Energy: 0.3682200014376298
Energy: 0.31963654289139826
Energy: 0.28654266383437577
Energy: 0.2835045279836882
Energy: 0.300752605962556
Energy: 0.2646047742961437

minimum gb energy = 0.2646047742961437 eV
minimum distance =  2.6355274336055 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.38285480296723895
Energy: 0.3543001514796182
Energy: 0.3544120744729442
Energy: 0.38375646136918673
Energy: 0.3577664083648956
Energy: 0.3709785425000666
Energy: 0.3484466544191159
Energy: 0.33448944144415566
Energy: 0.31403378192299375
Energy: 0.32255979108471533
Energy: 0.3345470235100608
Energy: 0.3136409158327638
Energy: 0.34240472460797305
Energy: 0.34526468823250434
Energy: 0.34244715254317015
Energy: 0.342973799229168
Energy: 0.34265127767144266
Energy: 0.3131692765343091
Energy: 0.34352069549086395
Energy: 0.3201667771560005
Energy: 0.31987477212686044
Energy: 0.34391530552853683
Energy: 0.3323183979469775
Energy: 0.3200357703791413
Energy: 0.3325029386245392
Energy: 0.31582794257897845
Energy: 0.3173266573487474
Energy: 0.3326290836323782
Energy: 0.33047031247668446
Energy: 0.35489886937084614
Energy: 0.36952564769897567
Energy: 0.3733240386110107
Energy: 0.3353681729319369
Energy: 0.3699678605140771
Energy: 0.34326654057636835
Energy: 0.32127554047404877
Energy: 0.35029235196591413
Energy: 0.32325872661795374
Energy: 0.3348146461540394
Energy: 0.33307081117887427
Energy: 0.324883833846963
Energy: 0.3360119698654697
Energy: 0.38273904816487836
Energy: 0.3159321094998051
Energy: 0.30527055988539165
Energy: 0.38349110859642577
Energy: 0.31619159162633936
Energy: 0.301200089074141
Energy: 0.35037216706093954
Energy: 0.31836550602011526
Energy: 0.31636249340175654
Energy: 0.334079490909384
Energy: 0.31868072200255243
Energy: 0.3152346009775972
Energy: 0.3699909716211148
Energy: 0.31621858122070207
Energy: 0.3164106717740877
Energy: 0.34359197960326354
Energy: 0.31592247007828506
Energy: 0.3327840498590952
Energy: 0.3506397603890956
Energy: 0.32291931413010555
Energy: 0.3326896884781308
Energy: 0.33096770470927706
Energy: 0.3232092444237195
Energy: 0.3203984462950412
Energy: 0.34940406219612047
Energy: 0.30151333677575787
Energy: 0.3032064434508178
Energy: 0.34958618572678624
Energy: 0.30610626537023927
Energy: 0.33182135847970556
Energy: 0.3355379685226143
Energy: 0.3017402223542917
Energy: 0.30366880141800767
Energy: 0.335047660105715
Energy: 0.30400623429544193
Energy: 0.3329149491837369
Energy: 0.3319390422157905
Energy: 0.33475451248562405
Energy: 0.32105765831525274
Energy: 0.33190838442676335
Energy: 0.33330706544798555
Energy: 0.3213295649460375
Energy: 0.3037372957416677
Energy: 0.34583091780267783
Energy: 0.3131737823306298
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Energy: 0.34355560350039777
Energy: 0.3127027022237682
Energy: 0.3347614755202791
Energy: 0.334156972214361
Energy: 0.333433107975176
Energy: 0.3241576140743475
Energy: 0.3340897191020389
Energy: 0.3240342689116598
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Energy: 0.332546220635639
Energy: 0.3096380143506316
Energy: 0.34264757682653896
Energy: 0.33235061647709874
Energy: 0.30991738961673965
Energy: 0.34997297690542606
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Energy: 0.35483819403364164
Energy: 0.3304985820510243
Energy: 0.33325166486718677
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Energy: 0.3325613919810346
Energy: 0.3855210500545066
Energy: 0.30343613796604163
Energy: 0.34277425844107245
Energy: 0.3836914920860758
Energy: 0.3171008590308854
Energy: 0.3164664967673639
Energy: 0.3531451785883486
Energy: 0.30351785603135345
Energy: 0.31654490101842275
Energy: 0.3837962020688232
Energy: 0.3333581508095143
Energy: 0.3181264152000693
Energy: 0.31824935672192023
Energy: 0.3355905223638088
Energy: 0.31837846936271397
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Energy: 0.31628335824757553
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Energy: 0.3678944782250829
Energy: 0.31633632049210164
Energy: 0.3328509366272388
Energy: 0.31572489412881405
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Energy: 0.33402247786402967
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Energy: 0.3221183536545667
Energy: 0.33459486602575783
Energy: 0.33690097170212313
Energy: 0.38247102137163663
Energy: 0.3298709515399359
Energy: 0.3039639059514942
Energy: 0.30213666058225147
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Energy: 0.3347048740884374
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Energy: 0.30100046501046474
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Energy: 0.34584956304449715
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Energy: 0.3154795960383221
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Energy: 0.31565212178616464
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Energy: 0.31658586935831434
Energy: 0.33331273213314666
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Energy: 0.3016852486940907
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Energy: 0.3333385973704345
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Energy: 0.30208619588591323
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Energy: 0.3308578775405203
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Energy: 0.3319226538094017
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Energy: 0.32161345186965823
Energy: 0.3163916677306116
Energy: 0.3863814736618047
Energy: 0.3030461158390707
Energy: 0.3163182894915665
Energy: 0.3838520434200774
Energy: 0.3051922220096611
Energy: 0.3177634424388212
Energy: 0.3394732181128227
Energy: 0.33646386060975847
Energy: 0.31832972207799554
Energy: 0.32280757871266824
Energy: 0.3162883320506693
Energy: 0.3227453252007175
Energy: 0.33192347505937136
Energy: 0.323983485338668
Energy: 0.3228279068119745
Energy: 0.33270333676668823
Energy: 0.32311433681441865
Energy: 0.3344528372265826
Energy: 0.33367774220430163
Energy: 0.32406492170919965
Energy: 0.32380865124883756
Energy: 0.33359808834599786
Energy: 0.3356212631233223
Energy: 0.3528381702925616
Energy: 0.32936498858672725
Energy: 0.3039654879070484
Energy: 0.3022997590691652
Energy: 0.32923656981880894
Energy: 0.35275246079092504

minimum gb energy = 0.3009056061325847 eV
minimum distance =  2.6286919123741 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.44404506250338344
Energy: 0.3010022823171246
Energy: 0.3017577341015388
Energy: 0.4441395645491456
Energy: 0.34860515747929016
Energy: 0.3020681192844049
Energy: 0.4127161246146475
Energy: 0.34842022262381367
Energy: 0.29137394249487975
Energy: 0.2905716054727945
Energy: 0.3493872448565674
Energy: 0.29116196414961903
Energy: 0.34751497998871855
Energy: 0.276776194047856
Energy: 0.2911233804657579
Energy: 0.36720193367838067
Energy: 0.27682031518614814
Energy: 0.29089872722052995
Energy: 0.34865119727622995
Energy: 0.29088440729423287
Energy: 0.29125009435655536
Energy: 0.34888582140286617
Energy: 0.348628269301937
Energy: 0.2914208205518388
Energy: 0.3490726436558754
Energy: 0.2908820357145025
Energy: 0.2908562228585962
Energy: 0.34974832694693747
Energy: 0.3483196431773618
Energy: 0.347961201435408
Energy: 0.3476804443486689
Energy: 0.3093200776208087
Energy: 0.34785147308358244
Energy: 0.3477602644722954
Energy: 0.30835146267676766
Energy: 0.34786073881238866
Energy: 0.4130558409003912
Energy: 0.34855986328352734
Energy: 0.2920732682038325
Energy: 0.41397710064166643
Energy: 0.3492877147885087
Energy: 0.2920801487128605

minimum gb energy = 0.276776194047856 eV
minimum distance =  2.70913544725635 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.47756564338277613
Energy: 0.458690846156964
Energy: 0.43069181741915
Energy: 0.4113196069888958
Energy: 0.4685457040804899
Energy: 0.4312903633854615
Energy: 0.35196451095897996
Energy: 0.40984641579794595
Energy: 0.3845728509655406
Energy: 0.3812453488501817
Energy: 0.42095518713284663
Energy: 0.3847767612794575
Energy: 0.4232573480706906
Energy: 0.3950371845525858
Energy: 0.3944362743240578
Energy: 0.42427800031025414
Energy: 0.3939013757204353
Energy: 0.4123354238192568
Energy: 0.3596180622065225
Energy: 0.35518427015276327
Energy: 0.35488750699639154
Energy: 0.35875046494919216
Energy: 0.40917925329672655
Energy: 0.3545264571456943
Energy: 0.3606147600491955
Energy: 0.41543549403120267
Energy: 0.3568778463139218
Energy: 0.3610830424178032
Energy: 0.3849243442936614
Energy: 0.3551116181671105
Energy: 0.3547005056958168
Energy: 0.4165374634006714
Energy: 0.4139490161993362
Energy: 0.35479415019519084
Energy: 0.41138113510756974
Energy: 0.41206150688131404
Energy: 0.3550046389549723
Energy: 0.40583455685779046
Energy: 0.4107518193401928
Energy: 0.3961891057912997
Energy: 0.4037680044612507
Energy: 0.41114327375155746
Energy: 0.577135122931835
Energy: 0.43844844379129533
Energy: 0.40381982349708967
Energy: 0.3796428565751874
Energy: 0.4693008181793257
Energy: 0.3899419399316895
Energy: 0.3558541599576591
Energy: 0.4054634885464409
Energy: 0.4102796654780513
Energy: 0.38626769340888994
Energy: 0.4025540325751797
Energy: 0.40988038404462507
Energy: 0.4046898713857969
Energy: 0.3707381603752243
Energy: 0.3972235735942842
Energy: 0.4049222762236659
Energy: 0.3707118179360584
Energy: 0.4103371968749901
Energy: 0.42466742252388134
Energy: 0.4089570817539362
Energy: 0.41182965845802205
Energy: 0.42514731326002086
Energy: 0.4010954542011128
Energy: 0.4123790201585932
Energy: 0.404496229175315
Energy: 0.3644076641058248
Energy: 0.41004194247522985
Energy: 0.4238337029945625
Energy: 0.35631459369977153
Energy: 0.4150485647168169
Energy: 0.4460008248892999
Energy: 0.3563598760659204
Energy: 0.35666827762115466
Energy: 0.4343418737546816
Energy: 0.3561019357061159
Energy: 0.3588365125170942
Energy: 0.4033161405352646
Energy: 0.3595341616562093
Energy: 0.35537829628632084
Energy: 0.40620847900785245
Energy: 0.3588147659543306
Energy: 0.3554068656386568
Energy: 0.42494454206876403
Energy: 0.3571328287351727
Energy: 0.3572501692631653
Energy: 0.4172051887893723
Energy: 0.3567972476408665
Energy: 0.41399819363601037
Energy: 0.4206270478157997
Energy: 0.37710859910183503
Energy: 0.37950296570469305
Energy: 0.403929006621827
Energy: 0.4050567207702799
Energy: 0.37668923190896153
Energy: 0.45770363173896916
Energy: 0.3978800062545369
Energy: 0.3891322418568262
Energy: 0.4581340840382035
Energy: 0.39349741661220594
Energy: 0.43785717597250906
Energy: 0.4329728458309587
Energy: 0.4129755381096572
Energy: 0.37683622698744496
Energy: 0.39002395582702515
Energy: 0.40682905896889143
Energy: 0.37681770197198766
Energy: 0.44690491923558273
Energy: 0.4082890904318609
Energy: 0.41000495085747324
Energy: 0.46457819081320473
Energy: 0.35620405636083385
Energy: 0.37006507316404047
Energy: 0.43928520350280814
Energy: 0.379642505265403
Energy: 0.384806189404572
Energy: 0.43686539858399853
Energy: 0.3800869293221716
Energy: 0.3700375510283048
Energy: 0.39431419108327986
Energy: 0.37904202756921446
Energy: 0.3802481854723337
Energy: 0.395173423289656
Energy: 0.3694794981113584
Energy: 0.3768047818886232
Energy: 0.41880416657006064
Energy: 0.41066855051006335
Energy: 0.41940833580245196
Energy: 0.4198396125751645
Energy: 0.4094370649711565
Energy: 0.41384911598126073
Energy: 0.38965030431617587
Energy: 0.39320230175885607
Energy: 0.3788308878087876
Energy: 0.3904949250770694
Energy: 0.3941097922681988
Energy: 0.39612058789122073
Energy: 0.38384974962928414
Energy: 0.38472654643519977
Energy: 0.38433792047368864
Energy: 0.3839262228986029
Energy: 0.37239073974810555
Energy: 0.39237667081500727
Energy: 0.35500814955985843
Energy: 0.40595405571139637
Energy: 0.40994332608377415
Energy: 0.35544513318803006
Energy: 0.39546822740880544
Energy: 0.4088503083866496
Energy: 0.46893612720531136
Energy: 0.43094535740212037
Energy: 0.42228976506603055
Energy: 0.40706739686393895
Energy: 0.3903014889320475
Energy: 0.40252127813587035
Energy: 0.358606081404211
Energy: 0.405070998626764
Energy: 0.4173254818016255
Energy: 0.4162306773120603
Energy: 0.4075370511714558
Energy: 0.40242504914078153
Energy: 0.3492971517688547
Energy: 0.4061609501480553
Energy: 0.410604158013696
Energy: 0.34914952333994903
Energy: 0.3964951305265283
Energy: 0.37122646238639195
Energy: 0.3632302242165102
Energy: 0.40678267606684243
Energy: 0.36608291974116886
Energy: 0.3632762194330466
Energy: 0.3949764325171356
Energy: 0.36557955789186003
Energy: 0.3624354783532854
Energy: 0.349237133937933
Energy: 0.3496035377256801
Energy: 0.3633859647862138
Energy: 0.39628690664800365
Energy: 0.349763083205227
Energy: 0.3628769728316143
Energy: 0.3866594150115642
Energy: 0.3905098846237569
Energy: 0.36294664696583606
Energy: 0.40913535638851817
Energy: 0.3870120722600162
Energy: 0.36712453044654536
Energy: 0.40438384121389115
Energy: 0.4029678247417325
Energy: 0.36769550219794117
Energy: 0.3856600540666389
Energy: 0.4024541086918845
Energy: 0.4671689714124408
Energy: 0.4144197456228107
Energy: 0.42716251588507603
Energy: 0.3956435256837181
Energy: 0.4144669043835521
Energy: 0.39407790294961365
Energy: 0.38757075793177465
Energy: 0.40492872110326
Energy: 0.39786542056884217
Energy: 0.41584675027917123
Energy: 0.35631306850562106
Energy: 0.4059209945895954
Energy: 0.38045209372656386
Energy: 0.4092089441311691
Energy: 0.4122375407919238
Energy: 0.3806352115135066
Energy: 0.40120117096303537
Energy: 0.37860653105696473
Energy: 0.42220361303238085
Energy: 0.3704753495879219
Energy: 0.3798015726193281
Energy: 0.4222246824006653
Energy: 0.37074666009768964
Energy: 0.4163169883036379
Energy: 0.42071869761682074
Energy: 0.39403057506891426
Energy: 0.40230621882265527
Energy: 0.40379289824407183
Energy: 0.3947192243181396
Energy: 0.4018715876929664
Energy: 0.4532955835825848
Energy: 0.35718478256590785
Energy: 0.35720815744567913
Energy: 0.4535446980498052
Energy: 0.35629395223127436
Energy: 0.35776821757893873
Energy: 0.40475742146099797
Energy: 0.35924630562841975
Energy: 0.3554370395587252
Energy: 0.4054441084432327
Energy: 0.3583530451945846
Energy: 0.3553362504920889
Energy: 0.42469366596501024
Energy: 0.3560524844139288
Energy: 0.35639095980216984
Energy: 0.42254926505276524
Energy: 0.3562484141961272
Energy: 0.35662529561359047
Energy: 0.4364404397234229
Energy: 0.4017134963553655
Energy: 0.38242246827473775
Energy: 0.40244526346089415
Energy: 0.3561541592373097
Energy: 0.37208449123485166
Energy: 0.4366364875233829
Energy: 0.4089491897515118
Energy: 0.41110680161684354
Energy: 0.4371596261262253
Energy: 0.42414148532416057
Energy: 0.3844988050437026
Energy: 0.4597983910013665
Energy: 0.39404513438326927
Energy: 0.40608308047677927
Energy: 0.4604039217196156
Energy: 0.39406102475218774
Energy: 0.43327720120189483
Energy: 0.3822753684379361
Energy: 0.3862184239771033
Energy: 0.386940630931123
Energy: 0.4037608850075678
Energy: 0.38608599813583133
Energy: 0.3842440081736519
Energy: 0.5344375674625343
Energy: 0.3822359301988337
Energy: 0.3805294985178688
Energy: 0.4031375082156671
Energy: 0.3821999655880568
Energy: 0.3818358217143913
Energy: 0.38252336318134567
Energy: 0.38691553882782437
Energy: 0.3865158321441106
Energy: 0.39233467380781994
Energy: 0.38411870796202435
Energy: 0.38421973946082866
Energy: 0.41441449128185703
Energy: 0.3943201085809805
Energy: 0.40333280671095284
Energy: 0.4149367675758392
Energy: 0.4092894717355288
Energy: 0.4177330798940273
Energy: 0.3861267720298913
Energy: 0.41483706253447755
Energy: 0.39610716202902213
Energy: 0.38672009470661584
Energy: 0.3839520046132192
Energy: 0.38476700513334183
Energy: 0.38645014133395383
Energy: 0.37045239575830746
Energy: 0.3554395887801297
Energy: 0.38683556693881116
Energy: 0.35526769996195245
Energy: 0.38317511070923593
Energy: 0.3549444924502199
Energy: 0.37006624176634767
Energy: 0.38288656434123897
Energy: 0.35493993243689165
Energy: 0.3561816383573009
Energy: 0.397059978043843
Energy: 0.3517387294473348
Energy: 0.40585219757395796
Energy: 0.38479081547960203
Energy: 0.40351289399008944
Energy: 0.4219311463428665
Energy: 0.3846973988278778

minimum gb energy = 0.34914952333994903 eV
minimum distance =  2.61812152417936 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.7486283192621663
Energy: 0.41077249852264824
Energy: 0.4079866968026737
Energy: 0.404833561390427
Energy: 0.40036178268212597
Energy: 0.3936274178218498
Energy: 0.35273712132282803
Energy: 0.36065649658532756
Energy: 0.39169341222134707
Energy: 0.38736680530195705
Energy: 0.38381626787850576
Energy: 0.38903700997157015
Energy: 0.4103943284094854
Energy: 0.406080495974997
Energy: 0.41304527868885627
Energy: 0.41031840539241277
Energy: 0.3835708112834961
Energy: 0.4312619854452805
Energy: 0.3752638106544688
Energy: 0.3832533569674933
Energy: 0.3776624953170104
Energy: 0.37516749444345665
Energy: 0.38292893788359045
Energy: 0.3752610892798444
Energy: 0.3745995525477138
Energy: 0.3916014212000452
Energy: 0.39022314207199016
Energy: 0.3745957669938617
Energy: 0.3735453646779819
Energy: 0.37477224909487844
Energy: 0.41482978777567947
Energy: 0.37397879757496477
Energy: 0.39140644273867614
Energy: 0.4147022740250341
Energy: 0.37577985827608673
Energy: 0.40730576217472714
Energy: 0.3904049603132825
Energy: 0.3831119210572364
Energy: 0.391750712469335
Energy: 0.38698737840440567
Energy: 0.3817213591926033
Energy: 0.3916034614722618
Energy: 0.44111974426661776
Energy: 0.42263939009356144
Energy: 0.4390793830795268
Energy: 0.38405791861377514
Energy: 0.42261737965563523
Energy: 0.384864794883714
Energy: 0.3789343808753404
Energy: 0.38548306955298917
Energy: 0.4025961081610776
Energy: 0.39978812217749277
Energy: 0.3665237485934996
Energy: 0.4044321277464473
Energy: 0.4195470833086642
Energy: 0.3618956184662237
Energy: 0.3503926587293354
Energy: 0.41901935893469444
Energy: 0.35050522320452876
Energy: 0.3919760970414634
Energy: 0.3666229743823805
Energy: 0.35047518107555586
Energy: 0.3503354083364178
Energy: 0.36663041948895425
Energy: 0.36744875280249656
Energy: 0.38810075314662923
Energy: 0.36659914831375734
Energy: 0.3675067162738917
Energy: 0.41926889795528627
Energy: 0.37215614588274953
Energy: 0.35928946903021414
Energy: 0.3913915218956206
Energy: 0.3964497033417652
Energy: 0.38045483850744677
Energy: 0.36579216203752163
Energy: 0.38407674328877467
Energy: 0.3801671188602598
Energy: 0.4155198876011189
Energy: 0.36725418886763783
Energy: 0.3602863236578178
Energy: 0.35985186555639087
Energy: 0.367294988329577
Energy: 0.36898477601120233
Energy: 0.3597121624789071
Energy: 0.4291333415251159
Energy: 0.3773016388116599
Energy: 0.3777094432308131
Energy: 0.37735429571085777
Energy: 0.3927832286612775
Energy: 0.3776650426389412
Energy: 0.3672933185043481
Energy: 0.37157099923283377
Energy: 0.3780035607356532
Energy: 0.3676999509143634
Energy: 0.3463959564247609
Energy: 0.3780210482068559
Energy: 0.44757260810571503
Energy: 0.3832974620910166
Energy: 0.3828528885493504
Energy: 0.44778754122327236
Energy: 0.37464153832049285
Energy: 0.38012254632873965
Energy: 0.3446399172896524
Energy: 0.344404705668026
Energy: 0.3445871403873373
Energy: 0.34451387012808893
Energy: 0.3442919654112898
Energy: 0.3444918874377753
Energy: 0.34591071665293055
Energy: 0.3870987763756688
Energy: 0.3443749626886458
Energy: 0.3451384725962721
Energy: 0.3679315303881459
Energy: 0.3441927000009422
Energy: 0.34607781876242166
Energy: 0.36785992450889915
Energy: 0.3444448590046829
Energy: 0.3443267551451108
Energy: 0.36783354841101795
Energy: 0.34446339431567585
Energy: 0.3444472962128222
Energy: 0.3444872302381818
Energy: 0.3445965740144073
Energy: 0.3444916501761972
Energy: 0.3444500782360568
Energy: 0.34461809303693675
Energy: 0.38505186604362046
Energy: 0.3800586783189571
Energy: 0.41233670162337277
Energy: 0.38553258465864765
Energy: 0.41242322264932946
Energy: 0.41437945746852667
Energy: 0.36512122785789913
Energy: 0.37851578784400625
Energy: 0.3767685112861767
Energy: 0.36601790593579525
Energy: 0.3445127048552639
Energy: 0.37769270630420765
Energy: 0.3940480626798741
Energy: 0.4193541817300803
Energy: 0.4193663947767116
Energy: 0.39184202180641325
Energy: 0.41954101038182956
Energy: 0.3768676705310075
Energy: 0.3657671383312805
Energy: 0.374393832481233
Energy: 0.39383697011517627
Energy: 0.36568050935893376
Energy: 0.3694812422938435
Energy: 0.3965475628218608
Energy: 0.4463011409187734
Energy: 0.3691717764219387
Energy: 0.41331103861931817
Energy: 0.3847022851356042
Energy: 0.432246021896463
Energy: 0.37314861924511095
Energy: 0.3912751644944674
Energy: 0.3672352278527413
Energy: 0.41969467690065265
Energy: 0.4029868892518364
Energy: 0.3593154910171671
Energy: 0.39145100655537357
Energy: 0.36564949864099167
Energy: 0.35058522014735033
Energy: 0.40268002474243675
Energy: 0.3657976111633216
Energy: 0.37075704960756317
Energy: 0.38110549840048336
Energy: 0.40205789695646865
Energy: 0.3505720487740233
Energy: 0.3669954567405354
Energy: 0.40210535718799856
Energy: 0.3619642242277431
Energy: 0.403436404928077
Energy: 0.37888625912061685
Energy: 0.40126871091729494
Energy: 0.40337376038310935
Energy: 0.3994671500290769
Energy: 0.3668374489878192
Energy: 0.4039207296982479
Energy: 0.3975227960626229
Energy: 0.3617193737417902
Energy: 0.42302632219351105
Energy: 0.38327331857717883
Energy: 0.36012406891569976
Energy: 0.4183806163443536
Energy: 0.37992634289845273
Energy: 0.37984693767164374
Energy: 0.3800771952822526
Energy: 0.3972179588214594
Energy: 0.37951828442277297
Energy: 0.35984910447134094
Energy: 0.4359434669079999
Energy: 0.3607778136598585
Energy: 0.3602053769982523
Energy: 0.39008998118665233
Energy: 0.37964690495143705
Energy: 0.35923469054277335
Energy: 0.3776124527543763
Energy: 0.3610120138573358
Energy: 0.4116978706002514
Energy: 0.37739301843366957
Energy: 0.359498927556354
Energy: 0.3901957314926769
Energy: 0.3774456481105027
Energy: 0.38859436506119743
Energy: 0.38885413929590706
Energy: 0.3774288135544282
Energy: 0.38346458594486
Energy: 0.3892339359175789
Energy: 0.4382150394831515
Energy: 0.38555220931693346
Energy: 0.3856664860921052
Energy: 0.43822144378827577
Energy: 0.3844881716601953
Energy: 0.44078091852277734
Energy: 0.3763029354706202
Energy: 0.3898254563343447
Energy: 0.3912352540449171
Energy: 0.387364675828499
Energy: 0.3838200994858292
Energy: 0.3885876121624072
Energy: 0.41886128596819466
Energy: 0.3979344450066763
Energy: 0.3982660677569126
Energy: 0.38436214477658753
Energy: 0.3888369830178404
Energy: 0.40393511605654986

minimum gb energy = 0.3441927000009422 eV
minimum distance =  2.6361672755959 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.6608147255523179
Energy: 0.4344477491641621
Energy: 0.4217775190553451
Energy: 0.4044814571810089
Energy: 0.4472961556454609
Energy: 0.40444389124553937
Energy: 0.3506147854185455
Energy: 0.3719593764074217
Energy: 0.4163250851332031
Energy: 0.39319025516193784
Energy: 0.3718373970704988
Energy: 0.3645644645231941
Energy: 0.3691115244336708
Energy: 0.3508910474393928
Energy: 0.36801651173844574
Energy: 0.3687006779950102
Energy: 0.35070563492379814
Energy: 0.38168976802766197
Energy: 0.3637942397878348
Energy: 0.3512026721779537
Energy: 0.36392512878784794
Energy: 0.3637894510104881
Energy: 0.3507268463136269
Energy: 0.3638680816510076
Energy: 0.36348532417884427
Energy: 0.36399443870529347
Energy: 0.4031894227316962
Energy: 0.36357004667390064
Energy: 0.36423118468023774
Energy: 0.3639112339331065
Energy: 0.3637181206907728
Energy: 0.36378406563057825
Energy: 0.3642927007180207
Energy: 0.36433011420411093
Energy: 0.3639936842084318
Energy: 0.3685209521487013
Energy: 0.3718326040955274
Energy: 0.36396823684147206
Energy: 0.36392707831747445
Energy: 0.37216423477329313
Energy: 0.3640395370280268
Energy: 0.36382277209515285
Energy: 0.38794406776840457
Energy: 0.36402265499616504
Energy: 0.36411860794462786
Energy: 0.4015473144883259
Energy: 0.36392401421003323
Energy: 0.4436466254650986
Energy: 0.37186560989183975
Energy: 0.3809272302617944
Energy: 0.36418125695135584
Energy: 0.37201861043427364
Energy: 0.3820473206065059
Energy: 0.3640995809169012
Energy: 0.37179344708895373
Energy: 0.37219235992083466
Energy: 0.3890295011169348
Energy: 0.3718969632636934
Energy: 0.36304845294401455
Energy: 0.40986400728078803
Energy: 0.3490305421306911
Energy: 0.36858734496268103
Energy: 0.3919304604065698
Energy: 0.349050288597348
Energy: 0.41655445889476994
Energy: 0.4174034280365381
Energy: 0.413168489044
Energy: 0.4017008134523824
Energy: 0.38169328152060605
Energy: 0.35204772519622707
Energy: 0.3640919722514396
Energy: 0.36401886878523354
Energy: 0.40163612346702443
Energy: 0.3817745700958213
Energy: 0.3970212617662485
Energy: 0.35036293509529093
Energy: 0.3812426472504088
Energy: 0.3765546513546315
Energy: 0.34895791426668116
Energy: 0.38151125101207806
Energy: 0.36537119875336627
Energy: 0.34901307097906537
Energy: 0.3928532109390765
Energy: 0.40662604421793963
Energy: 0.34912631663541244
Energy: 0.4245580400561162
Energy: 0.34927977511283603
Energy: 0.3494235784433912
Energy: 0.41580376920728424
Energy: 0.34919517145520046
Energy: 0.3489555709719004
Energy: 0.3490318815890782
Energy: 0.3491387413995344
Energy: 0.34974350963223877
Energy: 0.3839736624951833
Energy: 0.3491912253908415
Energy: 0.3491982681815665
Energy: 0.3494913811599994
Energy: 0.3495715021330754
Energy: 0.3492984279605673
Energy: 0.4251442193482386
Energy: 0.3493488514770517
Energy: 0.34902482904512816
Energy: 0.36900469880715525
Energy: 0.39358179956594497
Energy: 0.34916165980130837
Energy: 0.4004430901232824
Energy: 0.41809897927776674
Energy: 0.38292016963413245
Energy: 0.38887911667484504
Energy: 0.4157330168637387
Energy: 0.3769605635958994
Energy: 0.3886210378330708
Energy: 0.36331196061561477
Energy: 0.38274149201246876
Energy: 0.3742818639298505
Energy: 0.415805036963499
Energy: 0.37693681167718707
Energy: 0.34941573699818246
Energy: 0.38075509558459597
Energy: 0.3491038309069725
Energy: 0.41042867205046046
Energy: 0.3690714711001739
Energy: 0.3490814036973142
Energy: 0.3911086180214375
Energy: 0.3940215419855992
Energy: 0.38920070583678007
Energy: 0.4097107000545868
Energy: 0.4270710829707117
Energy: 0.4243394040602238
Energy: 0.3682761686225921
Energy: 0.42700480408370406
Energy: 0.3887293224566342
Energy: 0.4100303636897143
Energy: 0.4214785387440292
Energy: 0.38885802597139035
Energy: 0.4008334664925358
Energy: 0.36868249964159006
Energy: 0.3859296160480207
Energy: 0.3498943660027763
Energy: 0.379420685008722
Energy: 0.42655573896238563
Energy: 0.3497225793523821
Energy: 0.41589377299367847
Energy: 0.40037650653760576
Energy: 0.34902412297992635
Energy: 0.3489517860078002
Energy: 0.4000317654021533
Energy: 0.34909787711144225
Energy: 0.34884266660890406
Energy: 0.39306934353572215
Energy: 0.3489449222934785
Energy: 0.34926246467704436
Energy: 0.36416415426757087
Energy: 0.3488184309998521
Energy: 0.34923790934580456
Energy: 0.39276393553940375
Energy: 0.34974259444130007
Energy: 0.426710675611643
Energy: 0.39314481754851777
Energy: 0.3494764740138828
Energy: 0.42478179743383077
Energy: 0.38171900155692096
Energy: 0.36423500162365047
Energy: 0.36394920273110415
Energy: 0.3818549024742853
Energy: 0.3727189303021739
Energy: 0.3646631043778989
Energy: 0.3685508422244687
Energy: 0.3805963074573865
Energy: 0.4059545583561162
Energy: 0.3639695130748886
Energy: 0.36646563505542434
Energy: 0.39006450557080685
Energy: 0.3639420069384371
Energy: 0.3718713087167301
Energy: 0.36838261573169884
Energy: 0.3885763408652861
Energy: 0.37170320232259774
Energy: 0.36400621250256016
Energy: 0.4700464765178015
Energy: 0.349731060462402
Energy: 0.3700704372539423
Energy: 0.37576197519050886
Energy: 0.349191413083414
Energy: 0.392270004767114

minimum gb energy = 0.3488184309998521 eV
minimum distance =  2.65329889721114 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.44578616898310697
Energy: 0.41493161843069665
Energy: 0.4141674048634858
Energy: 0.44673157519518414
Energy: 0.4137963399426664
Energy: 0.41423204882335707
Energy: 0.3256793027777299
Energy: 0.36272113534641254
Energy: 0.36307347786131444
Energy: 0.3633510772866359
Energy: 0.3630436125780522
Energy: 0.40793924927922764
Energy: 0.36144963795079355
Energy: 0.32603108999436825
Energy: 0.35461953806933727
Energy: 0.3615893294958083
Energy: 0.39075576137905876
Energy: 0.35503771123197386
Energy: 0.36122025473654307
Energy: 0.3260434575332768
Energy: 0.326381530872486
Energy: 0.3586355098382109
Energy: 0.39081184060404073
Energy: 0.3586997359978761
Energy: 0.35923565767622856
Energy: 0.3411379871928468
Energy: 0.34166412103632954
Energy: 0.35924837477154786
Energy: 0.35898014735685374
Energy: 0.34195614829670584
Energy: 0.3770858986156522
Energy: 0.35958110116029945
Energy: 0.39121752058568504
Energy: 0.3789261129464137
Energy: 0.35976353038441694
Energy: 0.39140930349502034
Energy: 0.3633821913828785
Energy: 0.3598611931831375
Energy: 0.35877962589122125
Energy: 0.3633617183078784
Energy: 0.3603248255297671
Energy: 0.3588080856559336
Energy: 0.40849208750773736
Energy: 0.3600485815667284
Energy: 0.3605212366955608
Energy: 0.4087754729409935
Energy: 0.36006319239609497
Energy: 0.38378593239086817
Energy: 0.36350587913092053
Energy: 0.3628568536722655
Energy: 0.3602956258917248
Energy: 0.3634700359039827
Energy: 0.3643564563163461
Energy: 0.4077374016043413
Energy: 0.36269687345701057
Energy: 0.35883804954897053
Energy: 0.38446846878382945
Energy: 0.3628165867385223
Energy: 0.3842963778305078
Energy: 0.38516409541384966
Energy: 0.4319730512684809
Energy: 0.40462760328607
Energy: 0.40771210256513074
Energy: 0.43082662716072206
Energy: 0.3623903900902193
Energy: 0.36417666002495247
Energy: 0.326234646534392
Energy: 0.36294700508598854
Energy: 0.3633632254113161
Energy: 0.3272021029143911
Energy: 0.43088635905138273
Energy: 0.39077775222481576
Energy: 0.3281949531869253
Energy: 0.3630782839727026
Energy: 0.39092299748160686
Energy: 0.390730141210623
Energy: 0.3630650767458907
Energy: 0.39130608585231963
Energy: 0.43049825631894756
Energy: 0.36286432228779336
Energy: 0.4079760400871399
Energy: 0.36360564015574537
Energy: 0.36343794968256676
Energy: 0.40823022004314713
Energy: 0.3595007880047518
Energy: 0.3537129926607682
Energy: 0.354479598755449
Energy: 0.3595487380939418
Energy: 0.3561687480893828
Energy: 0.3536959136539197
Energy: 0.3590191832855071
Energy: 0.3419818487489342
Energy: 0.3588744838830306
Energy: 0.35956301398737145
Energy: 0.3636484073151248
Energy: 0.35860835738228275
Energy: 0.35987058046374837
Energy: 0.37835126236292077
Energy: 0.3784763953987255
Energy: 0.3596888106954321
Energy: 0.37899210064935746
Energy: 0.3415300663258062
Energy: 0.3599831888640657
Energy: 0.35934200132643346
Energy: 0.3593909473947704
Energy: 0.35989034550126925
Energy: 0.35899234015322706
Energy: 0.3418997420349242
Energy: 0.36240169370371045
Energy: 0.3593126493179863
Energy: 0.359473741357311
Energy: 0.362538132082469
Energy: 0.35930691881874305
Energy: 0.3595140611875258
Energy: 0.3624007668505162
Energy: 0.4131522516689362
Energy: 0.4144881542563506
Energy: 0.3625017065813273
Energy: 0.36012815920210955
Energy: 0.3595229699004925
Energy: 0.3636370442583861
Energy: 0.3598753432221798
Energy: 0.4083781686005291
Energy: 0.3632390543964539
Energy: 0.36362298195494996
Energy: 0.3590317357808921
Energy: 0.4122406909361475
Energy: 0.38392477279441456
Energy: 0.38384582988893007
Energy: 0.4115292880413685
Energy: 0.3843639618483117
Energy: 0.38437896370762104
Energy: 0.430194710877045
Energy: 0.3633830961434141
Energy: 0.40778274102797235
Energy: 0.36355367001800387
Energy: 0.3633193356016133
Energy: 0.40764968059164985
Energy: 0.32800911160941687
Energy: 0.3971046253616169
Energy: 0.39105975505556945
Energy: 0.3911543305665073
Energy: 0.39705346791184015
Energy: 0.3912589109847137

minimum gb energy = 0.3256793027777299 eV
minimum distance =  2.68404726488626 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.4761649591374528
Energy: 0.47061276814915237
Energy: 0.46712265600478586
Energy: 0.3749899598140262
Energy: 0.39412736263143794
Energy: 0.3748111012438311
Energy: 0.34787850131413145
Energy: 0.3975403808864243
Energy: 0.3892079294779699
Energy: 0.39509196514053024
Energy: 0.3943719030277022
Energy: 0.38818295770387823
Energy: 0.48358055825807633
Energy: 0.34572420553577865
Energy: 0.34758344437099453
Energy: 0.4841283311549718
Energy: 0.3438115070192692
Energy: 0.34752342631486705
Energy: 0.38836296671639764
Energy: 0.3468341442911812
Energy: 0.3478105771642486
Energy: 0.38842919471516185
Energy: 0.31971212033412993
Energy: 0.38843287557762485
Energy: 0.33792462045919164
Energy: 0.3850165419238002
Energy: 0.38514600084311695
Energy: 0.3384074370701407
Energy: 0.38508803810547093
Energy: 0.3818672678169853
Energy: 0.3443394068416702
Energy: 0.3345131351729367
Energy: 0.33437882762314036
Energy: 0.34807952104150897
Energy: 0.33423007037682356
Energy: 0.3687187165261414
Energy: 0.33218947212765293
Energy: 0.3322372881591896
Energy: 0.33179540277140446
Energy: 0.3319743885597882
Energy: 0.3353795946320305
Energy: 0.3339979840719636
Energy: 0.332013630918645
Energy: 0.37436566481208033
Energy: 0.41021161282334095
Energy: 0.3321251955288521
Energy: 0.3360447788901926
Energy: 0.40982937556034515
Energy: 0.3329441737903183
Energy: 0.336004067210304
Energy: 0.33340715876460325
Energy: 0.3335184522869848
Energy: 0.33332823579993814
Energy: 0.3343249740560896
Energy: 0.3340012976457438
Energy: 0.33497321906974414
Energy: 0.3349043798190857
Energy: 0.3340218256735682
Energy: 0.33509496770300884
Energy: 0.33465772965763796
Energy: 0.3994646465595537
Energy: 0.3876081180020642
Energy: 0.38219952160107407
Energy: 0.4360824772557373
Energy: 0.38760835396696813
Energy: 0.3816195196473839
Energy: 0.3851632223888826
Energy: 0.3885750515098826
Energy: 0.38861822026684395
Energy: 0.38541035601843826
Energy: 0.388739562572836
Energy: 0.38915586487902454
Energy: 0.3852521193277246
Energy: 0.42282254431802496
Energy: 0.3885556422837153
Energy: 0.3587118448945167
Energy: 0.47196023561946904
Energy: 0.38862084366681793
Energy: 0.394421672999212
Energy: 0.38725395016880304
Energy: 0.38702572320587186
Energy: 0.3943449046519955
Energy: 0.3954475750091386
Energy: 0.38851803605133906
Energy: 0.39462244448469613
Energy: 0.4203205558688572
Energy: 0.4200785348980692
Energy: 0.3946970534312357
Energy: 0.3907487745032511
Energy: 0.42023920207898224
Energy: 0.46880938169104325
Energy: 0.3948432761025737
Energy: 0.4456371267714016
Energy: 0.43194806413105025
Energy: 0.3951009249066607
Energy: 0.39008497773029793
Energy: 0.37838053293046714
Energy: 0.3887728937917183
Energy: 0.4350938576678075
Energy: 0.42707747303950994
Energy: 0.47218492418257996
Energy: 0.43877582225270995

minimum gb energy = 0.31971212033412993 eV
minimum distance =  2.64142581909863 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.4048489399466212
Energy: 0.4593439270165146
Energy: 0.3845288408363487
Energy: 0.356259977927402
Energy: 0.46570525005448105
Energy: 0.3983258447512975
Energy: 0.45153954329894885
Energy: 0.4197109465389837
Energy: 0.41496478803347414
Energy: 0.4438731738324218
Energy: 0.4157788502852477
Energy: 0.3806828715066342
Energy: 0.48936426559491053
Energy: 0.33039015113378994
Energy: 0.3713069923524947
Energy: 0.459194872324695
Energy: 0.3609842592766498
Energy: 0.3715041985389724
Energy: 0.41947722776810653
Energy: 0.3711720959593255
Energy: 0.3711203147554329
Energy: 0.40810516436979244
Energy: 0.33378848276258166
Energy: 0.3711894633362595
Energy: 0.3616699542941998
Energy: 0.3663880311158661
Energy: 0.34437781284862823
Energy: 0.3622054954066143
Energy: 0.3453934637143413
Energy: 0.3661511173306648
Energy: 0.37823630490191035
Energy: 0.3588689605266485
Energy: 0.33145481355344275
Energy: 0.330820051923273
Energy: 0.35874761054258125
Energy: 0.33098853736308886
Energy: 0.380901245527938
Energy: 0.35670319554075164
Energy: 0.3570028418979786
Energy: 0.38198460319818384
Energy: 0.35738088046875405
Energy: 0.38197517918881957
Energy: 0.41693119700167464
Energy: 0.3163737855203989
Energy: 0.33726190489072244
Energy: 0.38135312726469384
Energy: 0.31528269928699376
Energy: 0.33681501189818003
Energy: 0.3320438666342121
Energy: 0.33109928586834286
Energy: 0.33018957013446715
Energy: 0.33289336150454896
Energy: 0.33440090715155146
Energy: 0.33046785713853444
Energy: 0.3302714823843208
Energy: 0.3597143450709503
Energy: 0.3592891461459904
Energy: 0.330220425648196
Energy: 0.34851702222975506
Energy: 0.35996099862603204
Energy: 0.3301355762570356
Energy: 0.3295685904946047
Energy: 0.36351818888415294
Energy: 0.3685633236122586
Energy: 0.32882855254354326
Energy: 0.3698018571110422
Energy: 0.37291051075197706
Energy: 0.3300984549025409
Energy: 0.33008739037946727
Energy: 0.36423364626584914
Energy: 0.3318375928879304
Energy: 0.33021995562254763
Energy: 0.37083785667939545
Energy: 0.35491252019978564
Energy: 0.3551359000000525
Energy: 0.35528946562401664
Energy: 0.4004842212421768
Energy: 0.3551921018926044
Energy: 0.35503630957177007
Energy: 0.3554008980779844
Energy: 0.3552317623276197
Energy: 0.35586634380844595
Energy: 0.3807411840063374
Energy: 0.3549652022669488
Energy: 0.3585072522419672
Energy: 0.3260553962676073
Energy: 0.3217863064995283
Energy: 0.35893972853228945
Energy: 0.32610798177240286
Energy: 0.3561123974491492
Energy: 0.4398094506855122
Energy: 0.3652992660191314
Energy: 0.39105422510515525
Energy: 0.44173865364914167
Energy: 0.3651200810087306
Energy: 0.37843415883687365
Energy: 0.3226328974825999
Energy: 0.4184479497683859
Energy: 0.4184500289814377
Energy: 0.323028972557242
Energy: 0.4184097070774721
Energy: 0.35148630483889465
Energy: 0.360808401481847
Energy: 0.44423141680392597
Energy: 0.4235887102148112
Energy: 0.36118623092451607
Energy: 0.47712287537806736
Energy: 0.34862252901591656
Energy: 0.4455427327809242
Energy: 0.42073253440574965
Energy: 0.4160889331776105
Energy: 0.4458859060737612
Energy: 0.35644533769898357
Energy: 0.40069549530891474
Energy: 0.47857040083707747
Energy: 0.3577443356433928
Energy: 0.352714945235392
Energy: 0.462921048635798
Energy: 0.40187156337143576
Energy: 0.4285955068585071
Energy: 0.47491028948550196
Energy: 0.4211928689602227
Energy: 0.4293837458741269
Energy: 0.4522441106345428
Energy: 0.4409833131361858
Energy: 0.41490748510772646
Energy: 0.3839209506178531
Energy: 0.46479572867732905
Energy: 0.4377073007766998
Energy: 0.40710944349099415
Energy: 0.46491653828544877
Energy: 0.363060649711547
Energy: 0.32297706163130324
Energy: 0.4279087717476941
Energy: 0.42772440128684747
Energy: 0.3230001108266849
Energy: 0.45708097725185703
Energy: 0.43673749611391277
Energy: 0.48490139875756233
Energy: 0.3598634089279059
Energy: 0.4170080372524557
Energy: 0.46151842024998874
Energy: 0.330522189986634
Energy: 0.41728654351105693
Energy: 0.40677018765368267
Energy: 0.33101281153488443
Energy: 0.37127450113836374
Energy: 0.40431704367639915
Energy: 0.33082254460868943
Energy: 0.3759192496637732
Energy: 0.40394478608844553
Energy: 0.37819140445214144
Energy: 0.4064233141663506
Energy: 0.40465090114107655
Energy: 0.3781949162874611
Energy: 0.38153402366736217
Energy: 0.373401415903223
Energy: 0.38669672292613283
Energy: 0.3649942317473973
Energy: 0.3309207102142304
Energy: 0.44054867326933844
Energy: 0.3317191439261391
Energy: 0.3172525705058695
Energy: 0.35879363658072505
Energy: 0.35855091081550416
Energy: 0.3171530948887319
Energy: 0.3628524323591864
Energy: 0.35853376184193264
Energy: 0.3787728824763473
Energy: 0.36975897610662956
Energy: 0.39902591551022426
Energy: 0.37802876306604744
Energy: 0.35743706551060545
Energy: 0.3998103277910093
Energy: 0.33069036582593614
Energy: 0.3153185076436725
Energy: 0.3316572012370474
Energy: 0.33063736815969824
Energy: 0.3151784608527408
Energy: 0.3307743029121872
Energy: 0.3334723038709708
Energy: 0.35294664622304456
Energy: 0.3528777202068073
Energy: 0.3323916283680493
Energy: 0.36874590362545073
Energy: 0.330849557187027
Energy: 0.330556315091415
Energy: 0.3589286542470145
Energy: 0.3594518261768095
Energy: 0.3754238573767573
Energy: 0.3329559749135711
Energy: 0.40812738129058496
Energy: 0.34899586957656764
Energy: 0.32910754591624714
Energy: 0.32852006733570466
Energy: 0.34916960293968125
Energy: 0.33207173572300946
Energy: 0.32963973213092507
Energy: 0.3568982140264426
Energy: 0.37875114851298775
Energy: 0.416941691288365
Energy: 0.41431894995519125
Energy: 0.3301900238714217
Energy: 0.3726212937555726
Energy: 0.35736715693873505
Energy: 0.4206830839510531
Energy: 0.4126519113717117
Energy: 0.35500347578638086
Energy: 0.3889517849941467
Energy: 0.38568610089789285
Energy: 0.3574048391777469
Energy: 0.321976235505348
Energy: 0.35856915679532103
Energy: 0.35737961785534306
Energy: 0.32198911684199033
Energy: 0.35737656454246475
Energy: 0.44262549840435866
Energy: 0.36048198998905284
Energy: 0.36080614470677386
Energy: 0.4430515398655645
Energy: 0.36294417542055785
Energy: 0.3607666651677835
Energy: 0.3214819590939211
Energy: 0.4166580383946883
Energy: 0.4162071907183799
Energy: 0.35967963800386726
Energy: 0.4248459296087475
Energy: 0.4145966082193672
Energy: 0.4171563061823269
Energy: 0.47495858818759207
Energy: 0.3525599671310015
Energy: 0.3528176938408215
Energy: 0.4752713151350427
Energy: 0.3551918937089897
Energy: 0.41371761180766264
Energy: 0.4227881444793269
Energy: 0.3988515616131493
Energy: 0.4143013143499052
Energy: 0.40217932798166256
Energy: 0.41940169815383754
Energy: 0.46444771074857155
Energy: 0.35254611456958973
Energy: 0.4128335094328591
Energy: 0.4522632743024167
Energy: 0.3525856808117624
Energy: 0.4098726234995306
Energy: 0.48766551448876977
Energy: 0.38663511925551597
Energy: 0.4091964420742903
Energy: 0.4582889886518209
Energy: 0.34908328353520085
Energy: 0.3768262879519498
Energy: 0.3347142658849831
Energy: 0.41583712778570386
Energy: 0.4159348903062352
Energy: 0.3825454369150446
Energy: 0.4669181528008463
Energy: 0.4468517442554661

minimum gb energy = 0.3151784608527408 eV
minimum distance =  2.61426005781897 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.39627008473012876
Energy: 0.4497141330540585
Energy: 0.383182155369136
Energy: 0.4361063918866185
Energy: 0.5473835201190104
Energy: 0.38426384419603793
Energy: 0.430485812615141
Energy: 0.4022858333199101
Energy: 0.38367273890384535
Energy: 0.3947001073545064
Energy: 0.43141708870762285
Energy: 0.3413899176072269
Energy: 0.4469550287304062
Energy: 0.32302968101212703
Energy: 0.3228772688209107
Energy: 0.44705640332078345
Energy: 0.3523094239399706
Energy: 0.3654191977149828
Energy: 0.40302045391676483
Energy: 0.3231020460249374
Energy: 0.36538909073645864
Energy: 0.40379501317634103
Energy: 0.35907078023125844
Energy: 0.36518546987132383
Energy: 0.3689889148901003
Energy: 0.34497222672616945
Energy: 0.34095708556166343
Energy: 0.3628543002696522
Energy: 0.3651103592170055
Energy: 0.340505473923086
Energy: 0.3192418090474633
Energy: 0.3449713152669575
Energy: 0.3242705790985922
Energy: 0.33951560833421174
Energy: 0.34515778092720395
Energy: 0.32354774384906204
Energy: 0.395057762834502
Energy: 0.34410289463244803
Energy: 0.3399465845745589
Energy: 0.3322578503493517
Energy: 0.3414537860425264
Energy: 0.3638503872439942
Energy: 0.39576872047908723
Energy: 0.3010265606015033
Energy: 0.301316845549976
Energy: 0.3968392626683568
Energy: 0.3008743917780943
Energy: 0.3135596799880863
Energy: 0.31384285536248463
Energy: 0.3105490032567208
Energy: 0.31239281805291996
Energy: 0.3147833709419708
Energy: 0.31894813133573946
Energy: 0.3123281755453087
Energy: 0.3102137751353726
Energy: 0.3412905462741341
Energy: 0.3622913166826581
Energy: 0.3101591582482265
Energy: 0.3329296028826579
Energy: 0.3712361893036208
Energy: 0.2987955770050377
Energy: 0.2978903528520993
Energy: 0.2975578475154726
Energy: 0.35887944092661533
Energy: 0.2980992667137809
Energy: 0.2990074671185351
Energy: 0.29618486051908693
Energy: 0.2995974513717357
Energy: 0.29681092141030363
Energy: 0.29636042805647733
Energy: 0.299738494280289
Energy: 0.32854525805746887
Energy: 0.29702998812511405
Energy: 0.33331010335585465
Energy: 0.3585930140707092
Energy: 0.29703999776453716
Energy: 0.36223949381862625
Energy: 0.35800061048654197
Energy: 0.2975084060846131
Energy: 0.3348749256103379
Energy: 0.297124680841114
Energy: 0.2981926165716982
Energy: 0.2965836459697886
Energy: 0.2968390533678523
Energy: 0.29725820724561924
Energy: 0.3352940661338479
Energy: 0.33500904248641344
Energy: 0.29717442982698367
Energy: 0.3631875880085812
Energy: 0.2978601706245717
Energy: 0.34621366788860986
Energy: 0.3097707426379224
Energy: 0.3096358562211231
Energy: 0.34022016274270267
Energy: 0.3138075622721989
Energy: 0.3635993862275457
Energy: 0.30897048013430684
Energy: 0.31240574257681597
Energy: 0.312482441522335
Energy: 0.30916511413428904
Energy: 0.31566316760214574
Energy: 0.3124594596568578
Energy: 0.33947662596241546
Energy: 0.31758032812293946
Energy: 0.3122780878133839
Energy: 0.33967070589286025
Energy: 0.3337788213970085
Energy: 0.3120572008565251
Energy: 0.3412610028719933
Energy: 0.3585213745540499
Energy: 0.3394937053226343
Energy: 0.34173396556111
Energy: 0.33126203713134694
Energy: 0.3399880095618704
Energy: 0.4191996694473311
Energy: 0.3531095410114823
Energy: 0.3222827848806024
Energy: 0.4193747122937199
Energy: 0.3514773605089211
Energy: 0.34498633691192787
Energy: 0.4175274891040219
Energy: 0.38122357127526507
Energy: 0.3837427322756012
Energy: 0.38928544500901435
Energy: 0.3859639213935084
Energy: 0.3822515908426939
Energy: 0.33876814063917765
Energy: 0.3984189787186985
Energy: 0.3442621075388783
Energy: 0.3416767670280587
Energy: 0.39831674794990973
Energy: 0.34450869321934335
Energy: 0.34771641875913906
Energy: 0.40145436080514363
Energy: 0.3955122005842057
Energy: 0.34800483292113865
Energy: 0.41279495929282356
Energy: 0.3933708094073882
Energy: 0.4171470102654579
Energy: 0.37837480991755745
Energy: 0.35309332586796777
Energy: 0.417711601663918
Energy: 0.34804666608143187
Energy: 0.351453878091788
Energy: 0.4478221184927601
Energy: 0.3461927304811225
Energy: 0.3462083063881232
Energy: 0.44785127059992824
Energy: 0.3441129267020593
Energy: 0.396295937711733
Energy: 0.45492148252640585
Energy: 0.398660806055871
Energy: 0.3936180913563493
Energy: 0.4340450220580121
Energy: 0.3954169388552894
Energy: 0.39390305153167615
Energy: 0.35919991350228936
Energy: 0.40924356774460274
Energy: 0.36580541373153763
Energy: 0.32461224199847993
Energy: 0.44692426286655607
Energy: 0.36488620291566126

minimum gb energy = 0.29618486051908693 eV
minimum distance =  2.63566933006007 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.3637839607343796
Energy: 0.4192288127410487
Energy: 0.3665332197789199
Energy: 0.33477388762071536
Energy: 0.40600113580113356
Energy: 0.32952338220389316
Energy: 0.3905257541775138
Energy: 0.33149690302464774
Energy: 0.331344850933246
Energy: 0.36672865817117334
Energy: 0.3806885468036249
Energy: 0.3315286727520438
Energy: 0.40413599966202396
Energy: 0.28752457403821474
Energy: 0.3098730610120695
Energy: 0.40419159794719717
Energy: 0.3130293227540341
Energy: 0.31016015946248227
Energy: 0.359571080885814
Energy: 0.3098181720771853
Energy: 0.3101902090006621
Energy: 0.36007921314538616
Energy: 0.3063589162659628
Energy: 0.3443780554834006
Energy: 0.3485809231170852
Energy: 0.3241470711296962
Energy: 0.32419343914491744
Energy: 0.3488009601738907
Energy: 0.3427451787164989
Energy: 0.3239499170439516
Energy: 0.28466164874622885
Energy: 0.3274743789250682
Energy: 0.31032083096105867
Energy: 0.32845540472421814
Energy: 0.3275253772287499
Energy: 0.28723644064094667
Energy: 0.36463125962892423
Energy: 0.3239946185796576
Energy: 0.3238138713189455
Energy: 0.3195221313573609
Energy: 0.32599901697294065
Energy: 0.3480848655526137
Energy: 0.3645519935568689
Energy: 0.2734246789053709
Energy: 0.2875228840203631
Energy: 0.36582263931162495
Energy: 0.27260737867989615
Energy: 0.28738287923030076
Energy: 0.30003752776398523
Energy: 0.28736571585273746
Energy: 0.2987238708208716
Energy: 0.30064782008772034
Energy: 0.30632894736541944
Energy: 0.2988577205564534
Energy: 0.2852282999718891
Energy: 0.2810393021747532
Energy: 0.30832658201876645
Energy: 0.29559933729176274
Energy: 0.30968349478472396
Energy: 0.31018975600218
Energy: 0.27094470025666995
Energy: 0.2803511379485442
Energy: 0.28055158963428495
Energy: 0.3175257584770717
Energy: 0.2802185147287908
Energy: 0.2730310301230363
Energy: 0.343317968037637
Energy: 0.27847932226366456
Energy: 0.27844067150817714
Energy: 0.34361122189377663
Energy: 0.2785832486162339
Energy: 0.3255538813887503
Energy: 0.34329695399004695
Energy: 0.3176676838399485
Energy: 0.29906381416179445
Energy: 0.3429441300483964
Energy: 0.3178840313706361
Energy: 0.32165513067118956
Energy: 0.2698754378545159
Energy: 0.26913431827189727
Energy: 0.26871832370694476
Energy: 0.2707036687396712
Energy: 0.2782934727102371
Energy: 0.26850266469393813
Energy: 0.2672076403488966
Energy: 0.3109452869982508
Energy: 0.3170312054078124
Energy: 0.26733572161731467
Energy: 0.27633408788480546
Energy: 0.3194439135036058
Energy: 0.2727913700578178
Energy: 0.2633869798239809
Energy: 0.263070295646696
Energy: 0.31697217341175865
Energy: 0.2633002380833431
Energy: 0.3163245922482221
Energy: 0.34406783825639503
Energy: 0.2630352662204756
Energy: 0.2628950933220893
Energy: 0.26358526752669487
Energy: 0.262995985252948
Energy: 0.31791046930681427
Energy: 0.2642845944136118
Energy: 0.31273119181280307
Energy: 0.314805226638187
Energy: 0.2642410058794464
Energy: 0.30695976158332805
Energy: 0.3148784870636924
Energy: 0.26433559216984015
Energy: 0.28916021992251123
Energy: 0.2622116024906389
Energy: 0.2654197838860944
Energy: 0.28943798860878944
Energy: 0.2631223049050501
Energy: 0.3378512855354416
Energy: 0.317410215593857
Energy: 0.3168751109814366
Energy: 0.3386520127935329
Energy: 0.31710201900960666
Energy: 0.31693574685499165
Energy: 0.3450508445806005
Energy: 0.2679500074233299
Energy: 0.2676553782001782
Energy: 0.33224516270299953
Energy: 0.2678640341324423
Energy: 0.3168081694021677
Energy: 0.2651280219732826
Energy: 0.26892279318611506
Energy: 0.26886532409194175
Energy: 0.2982336386192009
Energy: 0.2688022042080112
Energy: 0.29864680879093675
Energy: 0.27773320187995365
Energy: 0.26841278572093713
Energy: 0.2992920035103826
Energy: 0.2777990830430056
Energy: 0.30024884494735704
Energy: 0.2685259423054007
Energy: 0.28093309662540533
Energy: 0.3263994489346358
Energy: 0.27920173681442345
Energy: 0.2816573087070954
Energy: 0.2964060661280759
Energy: 0.28014734544028697
Energy: 0.3516298814745173
Energy: 0.2974911830759074
Energy: 0.28069868993890046
Energy: 0.3527082137328052
Energy: 0.29776838613949347
Energy: 0.2803953449366509
Energy: 0.3521607990110351
Energy: 0.2961813929587267
Energy: 0.2959817843346053
Energy: 0.3230761924318176
Energy: 0.29612994869518516
Energy: 0.33669559748727496
Energy: 0.2780376023842384
Energy: 0.29856891683833253
Energy: 0.29885139609944344
Energy: 0.29740451484332725
Energy: 0.29867792617829536
Energy: 0.2803695580719415
Energy: 0.3127148696975514
Energy: 0.2995630472087329
Energy: 0.29893123348653916
Energy: 0.32365011080895084
Energy: 0.33034589385420055
Energy: 0.2986717092895253
Energy: 0.3292133452000167
Energy: 0.29876983479866454
Energy: 0.3256046024388279
Energy: 0.3298669706537514
Energy: 0.32366666257654314
Energy: 0.3279320432724645
Energy: 0.38289798520671536
Energy: 0.2800983132160316
Energy: 0.29886222395502643
Energy: 0.38256876820063507
Energy: 0.2798858971309261
Energy: 0.298837567974384
Energy: 0.38138952434677503
Energy: 0.33141144153830326
Energy: 0.33189503700643025
Energy: 0.34130307523089
Energy: 0.35608757303692246
Energy: 0.32537767505134163
Energy: 0.29594979821843337
Energy: 0.3705055921802631
Energy: 0.32716865921933536
Energy: 0.33763874875669786
Energy: 0.37067371985986897
Energy: 0.298720920347419
Energy: 0.3563643765374088
Energy: 0.3672861695725102
Energy: 0.36718028218593673
Energy: 0.32628603713323767
Energy: 0.3749610187330843
Energy: 0.36713109886055917
Energy: 0.38187629010074114
Energy: 0.32733385044834984
Energy: 0.3273886388520439
Energy: 0.3819300515422705
Energy: 0.32447137954034366
Energy: 0.3695568910745286
Energy: 0.4034455537928206
Energy: 0.29911294153829254
Energy: 0.3275100183864987
Energy: 0.4031089746736657
Energy: 0.32488954686837146
Energy: 0.32753603600038117
Energy: 0.3905257540636767
Energy: 0.36707061607825214
Energy: 0.366995312258373
Energy: 0.39222418824458843
Energy: 0.39242439081607233
Energy: 0.3670387543712453

minimum gb energy = 0.2622116024906389 eV
minimum distance =  2.62696892782538 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.17886753857076007
Energy: 0.19685659267330158
Energy: 0.07950926294136626
Energy: 0.08044336957198303
Energy: 0.2681386137762954
Energy: 0.17881636475856733
Energy: 0.19739263353234385
Energy: 0.2548151426432586
Energy: 0.25474800318570945
Energy: 0.2936507851896048
Energy: 0.2547387865104408
Energy: 0.26004665784657494
Energy: 0.2920283168708104
Energy: 0.07937653582951046
Energy: 0.07949224383575186
Energy: 0.29379741430623296
Energy: 0.07945505875988589
Energy: 0.10157130164552744
Energy: 0.27262733743663675
Energy: 0.07939976359161931
Energy: 0.07953049779001707
Energy: 0.28523371426745603
Energy: 0.07940143911445308
Energy: 0.10125518691204123
Energy: 0.10092150232791645
Energy: 0.29851222213556833
Energy: 0.29994864803640414
Energy: 0.10146771969757429
Energy: 0.299976890052113
Energy: 0.2998403684381709
Energy: 0.0798539827314537
Energy: 0.2784016200627406
Energy: 0.07943341908728091
Energy: 0.08071982923747266
Energy: 0.27843933043633684
Energy: 0.0794023340619472
Energy: 0.2941243961313288
Energy: 0.2784334414461207
Energy: 0.2785401734979533
Energy: 0.30555328858512626
Energy: 0.27917573841272764
Energy: 0.27849451269614617
Energy: 0.2930100551033067
Energy: 0.07943455299760127
Energy: 0.07940813690145915
Energy: 0.3053772644966347
Energy: 0.079349747988259
Energy: 0.07946089337117546
Energy: 0.27421812050223227
Energy: 0.07952428798478946
Energy: 0.10137208635083983
Energy: 0.2741719250095562
Energy: 0.07938322127146087
Energy: 0.10220495985423722
Energy: 0.1788880719138069
Energy: 0.2759377876243925
Energy: 0.2781402290928273
Energy: 0.07949364483683495
Energy: 0.2781950549657171
Energy: 0.2777280038020215

minimum gb energy = 0.079349747988259 eV
minimum distance =  2.68182696555904 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.4228165852815174
Energy: 0.33909370283384044
Energy: 0.38433875146264357
Energy: 0.33733774544160555
Energy: 0.35141644579692866
Energy: 0.3374323314504714
Energy: 0.3713701743726777
Energy: 0.38523366221432803
Energy: 0.38524191597693686
Energy: 0.3693394280065429
Energy: 0.38543453832519337
Energy: 0.34536950568686875
Energy: 0.3746285047187389
Energy: 0.35618242401633643
Energy: 0.3460821179285443
Energy: 0.3746949624251113
Energy: 0.3606865085309377
Energy: 0.3464793641462776
Energy: 0.35369484519750455
Energy: 0.3599488885873188
Energy: 0.35616699388471545
Energy: 0.3546361406666345
Energy: 0.3091195893651892
Energy: 0.3439675522129629
Energy: 0.30932381518876995
Energy: 0.34955237796046945
Energy: 0.3448128161406697
Energy: 0.30939052171650794
Energy: 0.36085078645364566
Energy: 0.34463966054540934
Energy: 0.2846104159109789
Energy: 0.34495954966181963
Energy: 0.3657418187578752
Energy: 0.3421568398724426
Energy: 0.3448347123375036
Energy: 0.33786220977587633
Energy: 0.3486202155026876
Energy: 0.3099571311606063
Energy: 0.34490985343054376
Energy: 0.3488380876218949
Energy: 0.3097848889917251
Energy: 0.345043282866967
Energy: 0.354624230518216
Energy: 0.34775909205681266
Energy: 0.32572572724235904
Energy: 0.35534364416547304
Energy: 0.33944055260429784
Energy: 0.32552795655242883
Energy: 0.3558782055353783
Energy: 0.3420266899842392
Energy: 0.36139698284750943
Energy: 0.3560115370081946
Energy: 0.284786835077647
Energy: 0.3574443102100963
Energy: 0.2849195258100954
Energy: 0.31024818146992883
Energy: 0.3100889796192361
Energy: 0.2849492755431617
Energy: 0.3100868626797883
Energy: 0.31283658989373736
Energy: 0.3160881535723779
Energy: 0.34264077471081056
Energy: 0.34729240239299675
Energy: 0.34015394897588475
Energy: 0.35554411051745766
Energy: 0.3185174782716637
Energy: 0.28500437457438854
Energy: 0.34279693182380716
Energy: 0.3433157196831763
Energy: 0.2850402124653621
Energy: 0.26999941107319153
Energy: 0.2848655151331097
Energy: 0.2882224283243113
Energy: 0.30285253723616523
Energy: 0.2882220689929064
Energy: 0.28827746702903284
Energy: 0.33363246044834727
Energy: 0.2882270160682089
Energy: 0.30516985720411316
Energy: 0.33544103964912203
Energy: 0.3364161178385268
Energy: 0.3364921933163465
Energy: 0.27011607191441134
Energy: 0.3368399991840341
Energy: 0.26352747052169845
Energy: 0.269884624862744
Energy: 0.26982730608868966
Energy: 0.2634691328910357
Energy: 0.2701518014851511
Energy: 0.26974015127746503
Energy: 0.26281336142241446
Energy: 0.33563902120891326
Energy: 0.33490113290510115
Energy: 0.3332242574496336
Energy: 0.2723482499136516
Energy: 0.3355825894829622
Energy: 0.2623457823237025
Energy: 0.3234094432630253
Energy: 0.32362091006733945
Energy: 0.26254970015322676
Energy: 0.3035933838129683
Energy: 0.26260499582812685
Energy: 0.2626864408475713
Energy: 0.3201972609720288
Energy: 0.3198816229412546
Energy: 0.2626554203380382
Energy: 0.32044661938254204
Energy: 0.32177718653961096
Energy: 0.27144825553715246
Energy: 0.2650761775780067
Energy: 0.33004806506205797
Energy: 0.33204471076488595
Energy: 0.2629695549122979
Energy: 0.33012911177243187
Energy: 0.2650316302424951
Energy: 0.2626874350334201
Energy: 0.2626905388314038
Energy: 0.26324350932082613
Energy: 0.2628894912848469
Energy: 0.26247298811472897
Energy: 0.27138678139871414
Energy: 0.3330807977953628
Energy: 0.33502474920501574
Energy: 0.2700053008546934
Energy: 0.263271428421694
Energy: 0.33363703072833273
Energy: 0.27291531191727175
Energy: 0.32860219708003646
Energy: 0.2731643850317382
Energy: 0.27367105411479414
Energy: 0.30808905520853225
Energy: 0.27010803723711013
Energy: 0.2697088055731766
Energy: 0.3309817375466835
Energy: 0.3304442481836782
Energy: 0.2697721503728172
Energy: 0.32980194097085436
Energy: 0.33099104038213034
Energy: 0.34658269744569864
Energy: 0.28799579503229267
Energy: 0.28823855319645697
Energy: 0.3086611951394247
Energy: 0.2879647172720759
Energy: 0.30893362302523314
Energy: 0.27034778797559245
Energy: 0.2851543649744031
Energy: 0.2851117024950821
Energy: 0.27064314686560403
Energy: 0.2852065161063225
Energy: 0.2848386877801462
Energy: 0.3548078641596299
Energy: 0.3436973078955997
Energy: 0.34391293792561384
Energy: 0.35573082753201124
Energy: 0.3136769575870973
Energy: 0.34785916859571697
Energy: 0.31361779395384076
Energy: 0.3422627394720402
Energy: 0.32146785382918974
Energy: 0.3144130218991125
Energy: 0.275072422265847
Energy: 0.31372252991125915
Energy: 0.2940826857854116
Energy: 0.36251438378828943
Energy: 0.3617556186184594
Energy: 0.29409139393725325
Energy: 0.35766321960375663
Energy: 0.36157107946068534
Energy: 0.27415475024479224
Energy: 0.353750521905517
Energy: 0.3413384522663216
Energy: 0.34501533414236696
Energy: 0.35371076813894164
Energy: 0.3222611648163622
Energy: 0.3099925527399122
Energy: 0.35442490169410573
Energy: 0.34514049877056424
Energy: 0.3100278350821282
Energy: 0.3489340548108858
Energy: 0.3502383996214402
Energy: 0.34741347652954957
Energy: 0.3503661089402477
Energy: 0.34102422652388226
Energy: 0.3474429639204098
Energy: 0.33399018184535767
Energy: 0.3410411469675322
Energy: 0.370010815831491
Energy: 0.3486613932572947
Energy: 0.36254991856853414
Energy: 0.39577815549903855
Energy: 0.2943666020227047
Energy: 0.34491862722494965
Energy: 0.3243526192377199
Energy: 0.3493399359255733
Energy: 0.34883150438875704
Energy: 0.32452754995192873
Energy: 0.3488718539159192
Energy: 0.3250581876250907

minimum gb energy = 0.2623457823237025 eV
minimum distance =  2.61709311734613 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.47052162870322645
Energy: 0.34510108766036995
Energy: 0.4098975685247315
Energy: 0.347371282628032
Energy: 0.4531820130013788
Energy: 0.41050221839794615
Energy: 0.3967459497351672
Energy: 0.4173509760858566
Energy: 0.41715412255949047
Energy: 0.39786289964637067
Energy: 0.43645742059654413
Energy: 0.4179741687974292
Energy: 0.4056712820702665
Energy: 0.37410109902841504
Energy: 0.3708355961710075
Energy: 0.40591703373989474
Energy: 0.3623726368664564
Energy: 0.37084291457566954
Energy: 0.37408592569302973
Energy: 0.37213396575036617
Energy: 0.36965061388289977
Energy: 0.3707981846356298
Energy: 0.3201759646115277
Energy: 0.3694623643326565
Energy: 0.3652229556993438
Energy: 0.4182128141670179
Energy: 0.42300606609928487
Energy: 0.36558098771309955
Energy: 0.4342778487831532
Energy: 0.4203882478420563
Energy: 0.303352308572356
Energy: 0.366671915870313
Energy: 0.3937719114918982
Energy: 0.3879210089441958
Energy: 0.36682940771346617
Energy: 0.39320563831422356
Energy: 0.3676848189350831
Energy: 0.37218571977011056
Energy: 0.3714341604766089
Energy: 0.3676513882471583
Energy: 0.366185451329368
Energy: 0.37051409259773294
Energy: 0.3739660778220663
Energy: 0.3457172870675118
Energy: 0.3459051852236861
Energy: 0.37495377609873626
Energy: 0.35954362703793913
Energy: 0.3731804808824289
Energy: 0.3862161662613235
Energy: 0.3875379490897094
Energy: 0.3878379505757091
Energy: 0.3869207029399779
Energy: 0.3206846567195448
Energy: 0.3908909724213997
Energy: 0.30076669830963515
Energy: 0.3236280273935877
Energy: 0.3212164270640004
Energy: 0.3007318590566383
Energy: 0.32132461082952307
Energy: 0.32153143929338834
Energy: 0.3031208055854066
Energy: 0.38744213578304526
Energy: 0.386103339208556
Energy: 0.3777563179476088
Energy: 0.3248098096432649
Energy: 0.3867439996798411
Energy: 0.304261756088097
Energy: 0.36786052486959037
Energy: 0.36712591227212943
Energy: 0.3022279021303914
Energy: 0.3740374225902304
Energy: 0.30098202156213916
Energy: 0.3057341215613609
Energy: 0.30384633920485166
Energy: 0.3046023345190261
Energy: 0.30624400408402963
Energy: 0.3019830263540983
Energy: 0.30335136735652685
Energy: 0.3209882910366972
Energy: 0.3731765928517478
Energy: 0.37673094780943633
Energy: 0.3742000080339024
Energy: 0.30339571188655834
Energy: 0.377371671276188
Energy: 0.30590442066684426
Energy: 0.3036903275951795
Energy: 0.30144533302860094
Energy: 0.3045533803476223
Energy: 0.30270512001541816
Energy: 0.30164315775533607
Energy: 0.3035247702639356
Energy: 0.37561947965592896
Energy: 0.37792209162436396
Energy: 0.3815850279075033
Energy: 0.3013045328541912
Energy: 0.37697891978300363
Energy: 0.32701736927923974
Energy: 0.3460318520680042
Energy: 0.3459839192571354
Energy: 0.32741609272359984
Energy: 0.3556351870836923
Energy: 0.32567851393860225
Energy: 0.3212510589347464
Energy: 0.3885478228131137
Energy: 0.3874193585892342
Energy: 0.32127180733350064
Energy: 0.38681922560633464
Energy: 0.36112962236089147
Energy: 0.299508237895148
Energy: 0.37810510847519735
Energy: 0.3613863733331558
Energy: 0.3784424645620477
Energy: 0.37822162036070406
Energy: 0.36150844163588897
Energy: 0.32049008519362754
Energy: 0.36570346678478194
Energy: 0.37131369427000704
Energy: 0.3204109506132809
Energy: 0.36818726332090446
Energy: 0.3710513076732261
Energy: 0.36466927762216045
Energy: 0.40043408602133795
Energy: 0.4006905312461253
Energy: 0.36523382172724556
Energy: 0.3480183028552362
Energy: 0.4005080083001236
Energy: 0.4050569515669325
Energy: 0.3620658264684937
Energy: 0.4007064689036989
Energy: 0.40576918905750986
Energy: 0.3456708713524409
Energy: 0.4010514599643927
Energy: 0.39612812378180184
Energy: 0.3658462014886831
Energy: 0.36574458108916313
Energy: 0.3967028750329133
Energy: 0.3681149609406217
Energy: 0.36560142262887774

minimum gb energy = 0.299508237895148 eV
minimum distance =  2.62079497819244 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.5337616197697281
Energy: 0.4729517654469731
Energy: 0.4733544234067354
Energy: 0.43002414994841626
Energy: 0.5373024315297501
Energy: 0.40850330648119704
Energy: 0.39151382344150815
Energy: 0.4209121371940027
Energy: 0.42140472756857583
Energy: 0.42152444991884547
Energy: 0.36249705072835553
Energy: 0.36296765835174366
Energy: 0.4483044061954223
Energy: 0.42620823143307385
Energy: 0.4260266814924752
Energy: 0.4487348968693913
Energy: 0.37057321953307776
Energy: 0.4275208206322204
Energy: 0.42872903840358917
Energy: 0.4255170721922793
Energy: 0.42563321310569735
Energy: 0.4292791671685474
Energy: 0.36070079688605466
Energy: 0.4257744910462522
Energy: 0.3617387724718053
Energy: 0.4206702836909131
Energy: 0.42062540882081456
Energy: 0.3617616631658085
Energy: 0.44262232721049266
Energy: 0.371240914454087
Energy: 0.42223717401988586
Energy: 0.4215172065945087
Energy: 0.42795057072351633
Energy: 0.3928308993732016
Energy: 0.42174282087139464
Energy: 0.37522242966202307
Energy: 0.36225076601860534
Energy: 0.37226915631231233
Energy: 0.4285070216600173
Energy: 0.3620497007240563
Energy: 0.3667748706848789
Energy: 0.3616445529554325
Energy: 0.3712312955337912
Energy: 0.37081313366919594
Energy: 0.37446782002828705
Energy: 0.37135688551673446
Energy: 0.36873936547648584
Energy: 0.3709933729874797
Energy: 0.3981609969352181
Energy: 0.39301795253492994
Energy: 0.3946474874921209
Energy: 0.39882462729231855
Energy: 0.3232404664990611
Energy: 0.3945408049997209
Energy: 0.3999550258960099
Energy: 0.32406920665981426
Energy: 0.32373320066052297
Energy: 0.4006672503866779
Energy: 0.32455853209971414
Energy: 0.3238281047344265
Energy: 0.350035779020419
Energy: 0.36784592316425396
Energy: 0.3962188037950223
Energy: 0.3959062857952932
Energy: 0.3262088119932492
Energy: 0.39662293897182743
Energy: 0.3260463687699061
Energy: 0.32659868369238054
Energy: 0.32612309861836486
Energy: 0.32608019271013855
Energy: 0.3936057896259066
Energy: 0.3260262436924417
Energy: 0.3233593445157771
Energy: 0.39577466464175226
Energy: 0.3666642044271605
Energy: 0.3234747600416334
Energy: 0.3997681624581666
Energy: 0.32346249209290323
Energy: 0.3588866702176901
Energy: 0.38202284975608264
Energy: 0.39696896203242443
Energy: 0.356284940745517
Energy: 0.3879044333439011
Energy: 0.37316011034560376
Energy: 0.3587145294375514
Energy: 0.3617912513946762
Energy: 0.3615493411075946
Energy: 0.35863221363133346
Energy: 0.362903602725449
Energy: 0.3711376541295508
Energy: 0.3653238140919648
Energy: 0.4032717545001915
Energy: 0.4052846784598093
Energy: 0.3653836730822333
Energy: 0.3298105981635696
Energy: 0.3714712324506531
Energy: 0.4493274045209923
Energy: 0.40535272098854686
Energy: 0.40580951740523913
Energy: 0.44976890707805933
Energy: 0.40394074205179076
Energy: 0.409146679101799
Energy: 0.4025640989447448
Energy: 0.3623282157870605
Energy: 0.42052936843546435
Energy: 0.43415184126009315
Energy: 0.36216926586545617
Energy: 0.4152573030974389
Energy: 0.4450944171583254
Energy: 0.42810482108971776
Energy: 0.42577476568971884
Energy: 0.40503165549015646
Energy: 0.4281848420259202
Energy: 0.40315426548118644
Energy: 0.40113475156705763
Energy: 0.42093560842984734
Energy: 0.4206453641988602
Energy: 0.3916501336586479
Energy: 0.44309680288145203
Energy: 0.36296245922221265
Energy: 0.4481196658799987
Energy: 0.42571640419342344
Energy: 0.4260981011503231
Energy: 0.4486781554568694
Energy: 0.3679737160618458
Energy: 0.4274900246382762
Energy: 0.4295894747197105
Energy: 0.4258385767582219
Energy: 0.4263039626010354
Energy: 0.4301162793053121
Energy: 0.3706741289751346
Energy: 0.42632475612681936
Energy: 0.36196824642791625
Energy: 0.4208293079646278
Energy: 0.4206784592564404
Energy: 0.3619922018233444
Energy: 0.4422251506363329
Energy: 0.37156921389360725
Energy: 0.48852803158680363
Energy: 0.43925921547772434
Energy: 0.421818069521564
Energy: 0.3752289593629666
Energy: 0.43946203057299854
Energy: 0.3746012679755347
Energy: 0.3618612347921745
Energy: 0.37120764102096315
Energy: 0.4278999161681551
Energy: 0.3618850095924761
Energy: 0.365691941649741
Energy: 0.3717898351489293
Energy: 0.37138837337616104
Energy: 0.39013217115892607
Energy: 0.37439109977537377
Energy: 0.37110097965623584
Energy: 0.39368766635991875
Energy: 0.3713099348864038
Energy: 0.3826358604530616
Energy: 0.39555359098722703
Energy: 0.39577757666489094
Energy: 0.38222087462343507
Energy: 0.3231306673143559
Energy: 0.395718422265821
Energy: 0.39969600966070606
Energy: 0.32381187873516165
Energy: 0.3234727797866644
Energy: 0.40012048426696223
Energy: 0.3248084565069683
Energy: 0.3234578528945855
Energy: 0.35059688500571595
Energy: 0.32620378212214585
Energy: 0.32605462802010665
Energy: 0.3950630321338799
Energy: 0.3260032972520302
Energy: 0.39488624229845826
Energy: 0.326069833212508
Energy: 0.326233753912382
Energy: 0.326893223783307
Energy: 0.3262253413569596
Energy: 0.3232623598925523
Energy: 0.3260993275517979
Energy: 0.3248100342836463
Energy: 0.3684793774403755
Energy: 0.32358563529577244
Energy: 0.32348018359907527
Energy: 0.3993857502039236
Energy: 0.3235801655662374
Energy: 0.31459269417080443
Energy: 0.39549134513183737
Energy: 0.3966521413845706
Energy: 0.31466806851462187
Energy: 0.38252683278707816
Energy: 0.37231204943880514
Energy: 0.3585570506626507
Energy: 0.36205160755562493
Energy: 0.361550210400612
Energy: 0.3583762661051633
Energy: 0.3644645802486763
Energy: 0.3706248532037998
Energy: 0.365534113992053
Energy: 0.404079477602367
Energy: 0.37105403964438916
Energy: 0.3656798231052892
Energy: 0.3298654063531771
Energy: 0.371346914098466
Energy: 0.41728697578002943
Energy: 0.40600142077274287
Energy: 0.40897891074135184
Energy: 0.4481392805567268
Energy: 0.41250717956000865
Energy: 0.4091516785674723
Energy: 0.4016072353918656
Energy: 0.3616835340386281
Energy: 0.362682168406197
Energy: 0.44139251567056625
Energy: 0.36192419537920356
Energy: 0.36336868051745547
Energy: 0.3885985055407062
Energy: 0.42792167026728894
Energy: 0.44517227236076334
Energy: 0.40349746348680743
Energy: 0.4278739131419035
Energy: 0.408764680174827

minimum gb energy = 0.31459269417080443 eV
minimum distance =  2.63183133882311 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.4895162093255723
Energy: 0.47590865630283236
Energy: 0.4761919256612956
Energy: 0.4890333383682852
Energy: 0.48502050779874367
Energy: 0.47638022988250317
Energy: 0.3786194232524848
Energy: 0.4163719055214481
Energy: 0.4143969106610072
Energy: 0.41685502487181697
Energy: 0.4159283628612194
Energy: 0.4153833553522045
Energy: 0.4522642589275116
Energy: 0.41810743655720206
Energy: 0.420406147641201
Energy: 0.452056263807103
Energy: 0.4568580202317885
Energy: 0.42020709205989404
Energy: 0.4226967814695261
Energy: 0.404886258095854
Energy: 0.4050666102098732
Energy: 0.42350233513317187
Energy: 0.3592197813524028
Energy: 0.4208258818861188
Energy: 0.3609192483848007
Energy: 0.4149892596951962
Energy: 0.4137430893564794
Energy: 0.3605373659154713
Energy: 0.44388145834390236
Energy: 0.41461674757929123
Energy: 0.42643684496973006
Energy: 0.43207581095759084
Energy: 0.42964361246522986
Energy: 0.42516070488954805
Energy: 0.43161991066712135
Energy: 0.4283331992205952
Energy: 0.3610021783760265
Energy: 0.4298901925179956
Energy: 0.40672386666363364
Energy: 0.35997607188274616
Energy: 0.4308021031939914
Energy: 0.3599749705053991
Energy: 0.36493099166908227
Energy: 0.3659564338176863
Energy: 0.3657941122419971
Energy: 0.3655426057076244
Energy: 0.37722854976996545
Energy: 0.3659690286494401
Energy: 0.4035499260383395
Energy: 0.3940804969172882
Energy: 0.394838469507348
Energy: 0.4046012369597845
Energy: 0.36496531682301053
Energy: 0.41847947699665555
Energy: 0.3793996182001496
Energy: 0.36685434419083074
Energy: 0.3650875693452342
Energy: 0.37834060030571626
Energy: 0.3669953003711865
Energy: 0.36580898795235745
Energy: 0.4263590893524573
Energy: 0.3601971337064954
Energy: 0.35241141575647944
Energy: 0.4270258870474241
Energy: 0.3394294319650207
Energy: 0.4067616754419665
Energy: 0.4480340439232048
Energy: 0.3925288387740339
Energy: 0.3928096160930106
Energy: 0.4484433856766519
Energy: 0.38973726526481867
Energy: 0.39264590320361176
Energy: 0.4460073237207901
Energy: 0.4156315288556482
Energy: 0.41606649673911716
Energy: 0.41487601310455907
Energy: 0.4178270861052265
Energy: 0.41598686206796137
Energy: 0.4442686864736235
Energy: 0.4211503063666836
Energy: 0.4448201163927023
Energy: 0.3939000080191257
Energy: 0.4211697691399918
Energy: 0.44454330450978224

minimum gb energy = 0.3394294319650207 eV
minimum distance =  2.65090651777086 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.6222685202825038
Energy: 0.5007887202889021
Energy: 0.4829364543708917
Energy: 0.4825081788586027
Energy: 0.466910968957628
Energy: 0.48207514877285307
Energy: 0.4568140434970119
Energy: 0.3852791970258848
Energy: 0.3852341615936988
Energy: 0.4318474122624738
Energy: 0.3854534680114418
Energy: 0.3850495540764566
Energy: 0.43786157098604955
Energy: 0.41170801002186025
Energy: 0.41178403576774175
Energy: 0.43899641797323163
Energy: 0.4108989836329345
Energy: 0.4124290512166732
Energy: 0.4128070827422841
Energy: 0.4298524160950429
Energy: 0.436521317091548
Energy: 0.41286303537974195
Energy: 0.3796682678816962
Energy: 0.41957916840996695
Energy: 0.42235152601550296
Energy: 0.3847764482298673
Energy: 0.38471780074528983
Energy: 0.4220106922372459
Energy: 0.39436857403760756
Energy: 0.38551974864314553
Energy: 0.42177335604714244
Energy: 0.3912746304881441
Energy: 0.3909402778503751
Energy: 0.42181438058747184
Energy: 0.3912554901086289
Energy: 0.39159785724232554
Energy: 0.3911064620426818
Energy: 0.3914251493729705
Energy: 0.39124255559268045
Energy: 0.39114723079535335
Energy: 0.44532383943053183
Energy: 0.3911060463714779
Energy: 0.3941168481995838
Energy: 0.43112293547863095
Energy: 0.42359529586406347
Energy: 0.3940425580300645
Energy: 0.4223884903133996
Energy: 0.38513918019618026
Energy: 0.3862853454128456
Energy: 0.41325159816778967
Energy: 0.4126092611141358
Energy: 0.38523844639382254
Energy: 0.41331994338255346
Energy: 0.42265217529535015
Energy: 0.38590931969303977
Energy: 0.4341568141354056
Energy: 0.43002878128735056
Energy: 0.38579646588296773
Energy: 0.4661005761474988
Energy: 0.42256747743065654
Energy: 0.3942579689641539
Energy: 0.40615258635095697
Energy: 0.4172845892982757
Energy: 0.3942743223773724
Energy: 0.39551259223023766
Energy: 0.3846194978427522
Energy: 0.38879392726787915
Energy: 0.4120226981175058
Energy: 0.4260623811488428
Energy: 0.38888307896090074
Energy: 0.44348708999631153
Energy: 0.45728635605593115
Energy: 0.3843688599879126
Energy: 0.4215950023045362
Energy: 0.43157729284917723
Energy: 0.3843736273886045
Energy: 0.41900849937526663
Energy: 0.3855561132135236
Energy: 0.3956312897979756
Energy: 0.46208513185027456
Energy: 0.44866915905256344
Energy: 0.4031826555893009
Energy: 0.43916057511414747
Energy: 0.43630191681456554
Energy: 0.3804069094023892
Energy: 0.42978226062178027
Energy: 0.4357195138884034
Energy: 0.37978721755268635
Energy: 0.42220784188364585
Energy: 0.43072714631596565
Energy: 0.38016004429119515
Energy: 0.3908001939922517
Energy: 0.37974746786001695
Energy: 0.38095652192728496
Energy: 0.4234796484219137
Energy: 0.37949799588437755
Energy: 0.3799883843134943
Energy: 0.41761317410688326
Energy: 0.41438754369218117
Energy: 0.37932986751054154
Energy: 0.4114520526975139
Energy: 0.4154359706119937
Energy: 0.4116279407651763
Energy: 0.42224095457713384
Energy: 0.4220897908077091
Energy: 0.42950295756993845
Energy: 0.42307389395724976
Energy: 0.4028576475463346
Energy: 0.39713784453288864
Energy: 0.39797042643871194
Energy: 0.39814595476077114
Energy: 0.39716548061751933
Energy: 0.3976604880107329
Energy: 0.4302815723619014
Energy: 0.4133141860295931
Energy: 0.41877748758043504
Energy: 0.42244261464205457
Energy: 0.3962438008484326
Energy: 0.4198080422261771
Energy: 0.4022020151542477
Energy: 0.4265411834154079
Energy: 0.42584965221756044
Energy: 0.40650805983646193
Energy: 0.42789847251692764
Energy: 0.381252049464496
Energy: 0.3953409077523798
Energy: 0.3937565282279759
Energy: 0.3954390892386169
Energy: 0.3951302054667489
Energy: 0.3851181968808364
Energy: 0.42891431430173715
Energy: 0.39791954966193915
Energy: 0.3838707043214063
Energy: 0.39642368484610235
Energy: 0.42643164266740013
Energy: 0.42452163056939773
Energy: 0.3961779073494223
Energy: 0.41173865307576807
Energy: 0.432620365593983
Energy: 0.39770043949455364
Energy: 0.42957817604103876
Energy: 0.40762698251281515
Energy: 0.3979497354566332
Energy: 0.4295722051160373
Energy: 0.42233337272038424
Energy: 0.3965766667528547
Energy: 0.39638341905211416
Energy: 0.4222434553414758
Energy: 0.43157345177048645
Energy: 0.4217138666013027
Energy: 0.422600848285032
Energy: 0.37926849068505997
Energy: 0.41471947468433945
Energy: 0.42333688187598223
Energy: 0.37920242208679344
Energy: 0.37933752981079
Energy: 0.4213769004652796
Energy: 0.3796645568049982
Energy: 0.37955087600157916
Energy: 0.42245174755170195
Energy: 0.37995150419575047
Energy: 0.3793277265812322
Energy: 0.4215690285490253
Energy: 0.3804913913171573
Energy: 0.4306856111058201
Energy: 0.4220725411537112
Energy: 0.3798753549354302
Energy: 0.4326780427846205
Energy: 0.43582836987930723
Energy: 0.41971236416330276
Energy: 0.43635231245161316
Energy: 0.43734851797949653
Energy: 0.4321177814094365
Energy: 0.4280535041416077
Energy: 0.4910780069305001
Energy: 0.3853849090101619
Energy: 0.3862543202357899
Energy: 0.4360625984194224
Energy: 0.3849613862595124
Energy: 0.43133328883570693
Energy: 0.6224027037483065
Energy: 0.3878966598170415
Energy: 0.4335996488298097
Energy: 0.4444972255855027
Energy: 0.3892394911195094
Energy: 0.42256576582969035

minimum gb energy = 0.37920242208679344 eV
minimum distance =  2.59425507791739 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.5501248503963935
Energy: 0.4305580638145505
Energy: 0.43087868736635393
Energy: 0.5522145038520729
Energy: 0.6112091878640951
Energy: 0.4305430502639313
Energy: 0.3500606704951377
Energy: 0.362859216288615
Energy: 0.36469554724502556
Energy: 0.4027835457572885
Energy: 0.40307428639470533
Energy: 0.3750340730621743
Energy: 0.39545433031669747
Energy: 0.41358096885197976
Energy: 0.4122345786806128
Energy: 0.39600763110550247
Energy: 0.39538341459129395
Energy: 0.39132738944999973
Energy: 0.39291082581844744
Energy: 0.37561169941286837
Energy: 0.3759918044227947
Energy: 0.3934281544721016
Energy: 0.37330625750870405
Energy: 0.3630289312469314
Energy: 0.3747291128432045
Energy: 0.4048523742408886
Energy: 0.3637564060587684
Energy: 0.37470128619618626
Energy: 0.39464650358798187
Energy: 0.36377228533893397
Energy: 0.3748222536374361
Energy: 0.39425455207741533
Energy: 0.3948218587422443
Energy: 0.39839515104476625
Energy: 0.39425843448360764
Energy: 0.395388499655204
Energy: 0.3957891193785204
Energy: 0.37698264072995163
Energy: 0.3753509902729483
Energy: 0.39658010278058353
Energy: 0.3703742708352814
Energy: 0.3949009466424099
Energy: 0.40315189761111137
Energy: 0.3753003300968772
Energy: 0.4005377779660061
Energy: 0.40234744197086214
Energy: 0.375166898257699
Energy: 0.362783018948776
Energy: 0.3504707176314678
Energy: 0.3914294760386752
Energy: 0.42990040872332874
Energy: 0.35023525561173796
Energy: 0.3932297603087357
Energy: 0.4025318725873426
Energy: 0.3504365461954776
Energy: 0.3942618653981666
Energy: 0.4318998053531615
Energy: 0.3502349915765481
Energy: 0.3942416222918465
Energy: 0.3697278955878414
Energy: 0.4065123950009041
Energy: 0.37529641357711124
Energy: 0.39946488706298255
Energy: 0.40253538606516687
Energy: 0.3757754705290863
Energy: 0.36297335966800226
Energy: 0.3919908113134066
Energy: 0.41596999162433507
Energy: 0.41188726484916965
Energy: 0.3923033206809669
Energy: 0.4618255179708274
Energy: 0.3916902596423905
Energy: 0.3630663374061654
Energy: 0.3629336452576667
Energy: 0.375418377253926
Energy: 0.362741763458422
Energy: 0.36374712870998843
Energy: 0.3765394326757553
Energy: 0.4639206188936706
Energy: 0.3941086850061967
Energy: 0.39437145281928276
Energy: 0.41484842313179354
Energy: 0.39559214564985606
Energy: 0.3915374100564084
Energy: 0.3947774114776138
Energy: 0.36983881872762514
Energy: 0.38573049387928887
Energy: 0.39485679290525355
Energy: 0.3716265358024717
Energy: 0.38648702969855936
Energy: 0.39542004059508723
Energy: 0.3695311124615957
Energy: 0.37540456132833383
Energy: 0.3959300712547848
Energy: 0.3715617099968192
Energy: 0.3914118214100531
Energy: 0.35006208167738484
Energy: 0.3629053104561946
Energy: 0.3651688082506819
Energy: 0.35010266286896086
Energy: 0.36281332690133083
Energy: 0.3749987818746379

minimum gb energy = 0.3500606704951377 eV
minimum distance =  2.64464104268845 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.6800266718215018
Energy: 0.4739617984133965
Energy: 0.44645858437061336
Energy: 0.4709741836079791
Energy: 0.4679053966506669
Energy: 0.4547362790386526
Energy: 0.4607458617649829
Energy: 0.3895199001069349
Energy: 0.40571841871051945
Energy: 0.397959191111046
Energy: 0.39657077713734096
Energy: 0.39771625422066964
Energy: 0.4378474403199369
Energy: 0.41450970179852653
Energy: 0.3972984934443597
Energy: 0.4385913258690346
Energy: 0.46086303608524354
Energy: 0.42560225993941064
Energy: 0.40660036546674666
Energy: 0.3971796679980047
Energy: 0.38453857514114703
Energy: 0.40654494437416594
Energy: 0.38441388817388084
Energy: 0.39780945006182933
Energy: 0.4127886927242238
Energy: 0.4001315128556942
Energy: 0.38978320329490485
Energy: 0.4121232978854199
Energy: 0.39742470733846974
Energy: 0.3773529196992823
Energy: 0.3973697186376467
Energy: 0.38493160990507047
Energy: 0.4095049669939019
Energy: 0.3979092775340827
Energy: 0.4148168168622744
Energy: 0.4092969897265129
Energy: 0.38361685012547486
Energy: 0.40401264493642447
Energy: 0.3869400556899659
Energy: 0.38459556303920656
Energy: 0.40704241873772956
Energy: 0.38728347313392647
Energy: 0.39641087692982796
Energy: 0.4065103281553857
Energy: 0.4114189515769785
Energy: 0.3964559814269893
Energy: 0.3799856158713218
Energy: 0.3848174291638801
Energy: 0.46846615540575537
Energy: 0.4234012758747671
Energy: 0.39285434662170327
Energy: 0.4164357975346919
Energy: 0.4239375662253493
Energy: 0.39267447030534075
Energy: 0.3959649877210316
Energy: 0.3825616931783268
Energy: 0.382602223790056
Energy: 0.40366589918152335
Energy: 0.38344963087004663
Energy: 0.3821374933861448
Energy: 0.39704531396541914
Energy: 0.41353573790609377
Energy: 0.39992335525118455
Energy: 0.39701874361757
Energy: 0.39460210285814395
Energy: 0.3824494723290747
Energy: 0.39688798545416154
Energy: 0.42055337302172613
Energy: 0.4318024952582202
Energy: 0.39690774848861277
Energy: 0.4128572716242014
Energy: 0.4062650362878736
Energy: 0.49920607377469756
Energy: 0.4060648291703427
Energy: 0.4059709626796891
Energy: 0.4070420029586041
Energy: 0.4080995502378686
Energy: 0.4141721139821539
Energy: 0.3980901687230984
Energy: 0.41363251265994916
Energy: 0.39321007022901366
Energy: 0.3982059782886331
Energy: 0.4134015491270482
Energy: 0.3975402467758353
Energy: 0.39716317340643004
Energy: 0.40348098051291476
Energy: 0.40179188556130957
Energy: 0.3978947234244136
Energy: 0.39465731689252337
Energy: 0.3893479309836521
Energy: 0.3902220820850512
Energy: 0.38487611472279376
Energy: 0.3816191521608237
Energy: 0.3909874415981874
Energy: 0.413134868138956
Energy: 0.4131379736749193
Energy: 0.38919731363867605
Energy: 0.3934389104663853
Energy: 0.4157684210708847
Energy: 0.3892153517891593
Energy: 0.39989551404999557
Energy: 0.3980127366719647
Energy: 0.4614200088116576
Energy: 0.41675102429178423
Energy: 0.4141722638916249
Energy: 0.4590409746824834
Energy: 0.41551228333422263
Energy: 0.4103526779615529
Energy: 0.4141443432555016
Energy: 0.41324944342294606
Energy: 0.39883078717591913
Energy: 0.41425705487399106
Energy: 0.42006385986995376
Energy: 0.41416527038973433
Energy: 0.41393919988310535
Energy: 0.4235064767090528
Energy: 0.39775994776601264
Energy: 0.4139834282762622
Energy: 0.4147744626857923
Energy: 0.3929661190399636
Energy: 0.3937823471191369
Energy: 0.3898080389161503
Energy: 0.3895416774780834
Energy: 0.39405914077367016
Energy: 0.3918995415281865
Energy: 0.3921391490611409

minimum gb energy = 0.3773529196992823 eV
minimum distance =  2.62201261095535 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5966564570041822
Energy: 0.41496103619302543
Energy: 0.3673904365431239
Energy: 0.4048677905100157
Energy: 0.5788550697877919
Energy: 0.41343230988142976
Energy: 0.4040236513577896
Energy: 0.41981480522686776
Energy: 0.4090587633784443
Energy: 0.4258751838954162
Energy: 0.42593116500235195
Energy: 0.4136705081050326
Energy: 0.455845100181891
Energy: 0.3941643935751197
Energy: 0.43960689736389313
Energy: 0.38566751763261997
Energy: 0.4048730073811768
Energy: 0.47774995577103935
Energy: 0.4887590734940177
Energy: 0.40374076358252536
Energy: 0.4198177202900372
Energy: 0.39290854752900467
Energy: 0.42531372736663997
Energy: 0.42019882669221725
Energy: 0.40377005541627287
Energy: 0.4297740561768628
Energy: 0.44013534091631534
Energy: 0.4037651147724241
Energy: 0.4409330868488797
Energy: 0.4096899079991897
Energy: 0.47922713871932626
Energy: 0.44948568526370597
Energy: 0.4407627946131167
Energy: 0.40928948407292326
Energy: 0.4447761050067573
Energy: 0.43873716186936834
Energy: 0.4535058063067248
Energy: 0.4157613962955795
Energy: 0.3873239120204123
Energy: 0.3621929792645767
Energy: 0.40081629679482883
Energy: 0.39180499326600743
Energy: 0.4465090070241713
Energy: 0.38927118386746434
Energy: 0.43764856202924646
Energy: 0.4469567146299609
Energy: 0.39847576942201623
Energy: 0.447083873930953
Energy: 0.46003348148535783
Energy: 0.45288711974355006
Energy: 0.4540612329848017
Energy: 0.420965132775791
Energy: 0.45940969532354303
Energy: 0.45532122025375055
Energy: 0.5043772434049469
Energy: 0.41252917120920585
Energy: 0.42670174257082943
Energy: 0.43624119581322673
Energy: 0.4251534210079474
Energy: 0.42482126329555936
Energy: 0.46273834409914055
Energy: 0.4207588971240078
Energy: 0.4584311775277397
Energy: 0.4629568743020369
Energy: 0.40359814588747844
Energy: 0.36889321901828426
Energy: 0.41726065454066585
Energy: 0.406111830097614
Energy: 0.4018512445267254
Energy: 0.4175434248567518
Energy: 0.4143790797320948
Energy: 0.4109292155187377
Energy: 0.4714608901741376
Energy: 0.40310070142918225
Energy: 0.40326428315539853
Energy: 0.4247107927941711
Energy: 0.4031690372397979
Energy: 0.4011175056523678
Energy: 0.4501286028660068
Energy: 0.4014696746625538
Energy: 0.4014825422926014
Energy: 0.4376628723634682
Energy: 0.4034708518085545
Energy: 0.4015775336305761
Energy: 0.43215191468726494
Energy: 0.40922329812506003
Energy: 0.4270700193635925
Energy: 0.4324244267556482
Energy: 0.41464971716728855
Energy: 0.4265391671787686
Energy: 0.4542972392021816
Energy: 0.4253433703010898
Energy: 0.44338403845233376
Energy: 0.45415043179391656
Energy: 0.43795993799349103
Energy: 0.43478322841809136
Energy: 0.3904474563243222
Energy: 0.4185937314492238
Energy: 0.41170125267904595
Energy: 0.3889501350624971
Energy: 0.4259129272380822
Energy: 0.4052647699329185
Energy: 0.45501757800948905
Energy: 0.44525205712420984
Energy: 0.4392527475218064
Energy: 0.45529945346268186
Energy: 0.4459772249390117
Energy: 0.4383723651234186
Energy: 0.440903570335658
Energy: 0.4001871250803
Energy: 0.3888361231535124
Energy: 0.4381562569525462
Energy: 0.4003909095143575
Energy: 0.4050802525153959
Energy: 0.46689742814251506
Energy: 0.4005556938547268
Energy: 0.3888770546067287
Energy: 0.39293977744650693
Energy: 0.40055605802321603
Energy: 0.3890339084184099
Energy: 0.5287863876323712
Energy: 0.46387478648063424
Energy: 0.43932351171259787
Energy: 0.4864809906381401
Energy: 0.46118402693453237
Energy: 0.4317412435594012
Energy: 0.40421498885859414
Energy: 0.44693783853065167
Energy: 0.4465305031418061
Energy: 0.404347571394286
Energy: 0.4588599875087137
Energy: 0.4214961376654583
Energy: 0.4400338473297565
Energy: 0.4427409254963568
Energy: 0.4083350400784898
Energy: 0.36997153919467396
Energy: 0.3616005007836945
Energy: 0.4404780258837768
Energy: 0.49612295072570417
Energy: 0.384163537047251
Energy: 0.3996191146109297
Energy: 0.4252320410112099
Energy: 0.40667684271846377
Energy: 0.38075036754864844
Energy: 0.40373098373199934
Energy: 0.42321278219909597
Energy: 0.42217488489581056
Energy: 0.38232683076793234
Energy: 0.4232423213819894
Energy: 0.41050513748498735

minimum gb energy = 0.3616005007836945 eV
minimum distance =  2.54962171697493 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.4226716228982975
Energy: 0.47308398681501873
Energy: 0.37676764127924567
Energy: 0.39371456941906613
Energy: 0.4573546699360093
Energy: 0.3767685028219006
Energy: 0.4115220721402597
Energy: 0.42256184122440105
Energy: 0.39727385074079014
Energy: 0.42134304582310733
Energy: 0.4225688381938382
Energy: 0.39412531533537204
Energy: 0.39807695014556843
Energy: 0.38809802724741244
Energy: 0.383601924544555
Energy: 0.39816101637932994
Energy: 0.38803905458245697
Energy: 0.38984319617090246
Energy: 0.3948365513881502
Energy: 0.39961661802302395
Energy: 0.3934699007695077
Energy: 0.39484953487594665
Energy: 0.39534607251446413
Energy: 0.3843570832147462
Energy: 0.3951298567507228
Energy: 0.3899229602180365
Energy: 0.38983223116980825
Energy: 0.3965047581961759
Energy: 0.3994834313900372
Energy: 0.3898262368915328
Energy: 0.4006169337952739
Energy: 0.3911156049611257
Energy: 0.38758457740903535
Energy: 0.4175511609254944
Energy: 0.3989792034673365
Energy: 0.38721801179268334
Energy: 0.38208810557271145
Energy: 0.38624131308650417
Energy: 0.3827553539970882
Energy: 0.3818041614576827
Energy: 0.38558514334635746
Energy: 0.38344464591794664
Energy: 0.4017753329675858
Energy: 0.4188484503929587
Energy: 0.4240114018833856
Energy: 0.40187958207070396
Energy: 0.4363334773035636
Energy: 0.42665172514525873
Energy: 0.3877441265943612
Energy: 0.3899690040001328
Energy: 0.39677851694665106
Energy: 0.38761912413356875
Energy: 0.3979940146930324
Energy: 0.38322512879569703
Energy: 0.38767211948112795
Energy: 0.3841254731529702
Energy: 0.38433478828917395
Energy: 0.3877001453995242
Energy: 0.4110052011625205
Energy: 0.3842927896874886
Energy: 0.42453380587511874
Energy: 0.37816718709800695
Energy: 0.42340010893617763
Energy: 0.42542120242614634
Energy: 0.37811633497513997
Energy: 0.4609648497872597
Energy: 0.41342924884347115
Energy: 0.3874910027443193
Energy: 0.3782809678232297
Energy: 0.413406290733073
Energy: 0.40081759167538084
Energy: 0.3806396362788996
Energy: 0.42059161357668046
Energy: 0.40290191837640654
Energy: 0.3840362515183076
Energy: 0.38628872133859654
Energy: 0.4026737381477236
Energy: 0.38417308028780345
Energy: 0.41254180029095633
Energy: 0.37746044962771247
Energy: 0.40526660211474813
Energy: 0.4124955641893863
Energy: 0.3779730788735636
Energy: 0.4052011524533001
Energy: 0.3899911668185324
Energy: 0.3770168983521998
Energy: 0.3772569078475865
Energy: 0.3893536740804777
Energy: 0.3771379355909289
Energy: 0.3801965874220487
Energy: 0.38957806020295604
Energy: 0.3772874524267668
Energy: 0.39597873738021766
Energy: 0.3896310027675832
Energy: 0.3818571156900953
Energy: 0.3798155535205843
Energy: 0.3862617300157928
Energy: 0.3834214697885085
Energy: 0.38852967115218784
Energy: 0.3789226204428358
Energy: 0.38326444746164334
Energy: 0.3886517277246574
Energy: 0.40912353110777505
Energy: 0.43243955718208227
Energy: 0.41109266548702245
Energy: 0.4091919174394377
Energy: 0.43340595751219807
Energy: 0.37742441190598636
Energy: 0.430965821045754
Energy: 0.38647016816000507
Energy: 0.38705707883150237
Energy: 0.4318747781909017
Energy: 0.3864638558322019
Energy: 0.41136633393047983
Energy: 0.3837519159469139
Energy: 0.38648380633677937
Energy: 0.3828972501329696
Energy: 0.38358004194260426
Energy: 0.40781400007543606
Energy: 0.40965000367814786
Energy: 0.37688131340476433
Energy: 0.3897708881785934
Energy: 0.3788376775946346
Energy: 0.37695477358177837
Energy: 0.3895285102783506
Energy: 0.3773754627352441
Energy: 0.3846839003910098
Energy: 0.3900324609102048
Energy: 0.38076535468346884
Energy: 0.3769648162520365
Energy: 0.3896495153364991
Energy: 0.37978954641698803
Energy: 0.39897173873011427
Energy: 0.3950975882689831
Energy: 0.4114399618657789
Energy: 0.4013857602590269
Energy: 0.39416859670999993
Energy: 0.3784934456314479
Energy: 0.4220691037549144
Energy: 0.38357297524696893
Energy: 0.3884489987169101
Energy: 0.42198571711794286
Energy: 0.38364625437465855
Energy: 0.4054749530616672
Energy: 0.39923561239770006
Energy: 0.41354014969943315
Energy: 0.4136530770257924
Energy: 0.3990315539658863
Energy: 0.4136338941393611
Energy: 0.39960249176154816
Energy: 0.3900475006815103
Energy: 0.3870214741724435
Energy: 0.38674908271482905
Energy: 0.3864851553535647
Energy: 0.38687005303795563
Energy: 0.3837750806147773
Energy: 0.3991043205798822
Energy: 0.38785551211485975
Energy: 0.4175835858003584
Energy: 0.3981965351436222
Energy: 0.3873692981391722
Energy: 0.3838242358278703
Energy: 0.39781641667094114
Energy: 0.3881488192010194
Energy: 0.4051336465411417
Energy: 0.3979070089251099
Energy: 0.38757411092263044
Energy: 0.38442328484767774
Energy: 0.38873733662016136
Energy: 0.4096049009118215
Energy: 0.41083049430286295
Energy: 0.3886135620703737
Energy: 0.40926833317529465
Energy: 0.37597893347597405

minimum gb energy = 0.37597893347597405 eV
minimum distance =  2.63313456956927 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.6338211113448625
Energy: 0.392252885333741
Energy: 0.3917221173990938
Energy: 0.5165636490522681
Energy: 0.38978315129450475
Energy: 0.5166310029843393
Energy: 0.4319021998669625
Energy: 0.3856541639205927
Energy: 0.37566847820692595
Energy: 0.4524158003389448
Energy: 0.38590172999169225
Energy: 0.39071552391751185
Energy: 0.4111494293186772
Energy: 0.3705450567636312
Energy: 0.39727174492996165
Energy: 0.41167243865723147
Energy: 0.37146007565371475
Energy: 0.39642866381875774
Energy: 0.3895122675704179
Energy: 0.38194432193665706
Energy: 0.38215508368874307
Energy: 0.39018137827861227
Energy: 0.3896721063307604
Energy: 0.3908185379170708
Energy: 0.38026285674477195
Energy: 0.39727217787053876
Energy: 0.39649208688007187
Energy: 0.3812612226839181
Energy: 0.4112738997938665
Energy: 0.3935076529874165
Energy: 0.38539938127837703
Energy: 0.4332319391630604
Energy: 0.41048917193790596
Energy: 0.38590887532215545
Energy: 0.4525537706145532
Energy: 0.37075396571614455
Energy: 0.39174860616733
Energy: 0.3866564381723753
Energy: 0.3930504317291652
Energy: 0.3921478031068291
Energy: 0.36885250878850273
Energy: 0.3930371236716636
Energy: 0.3707125636446204
Energy: 0.3992235583534594
Energy: 0.3883159438019245
Energy: 0.37057201329842404
Energy: 0.40728143837125474
Energy: 0.3884619818201047
Energy: 0.37190167539026703
Energy: 0.39679342330564693
Energy: 0.39125447218578213
Energy: 0.37263281220705247
Energy: 0.4102922927811724
Energy: 0.37067484202217327
Energy: 0.37054519438036176
Energy: 0.3912035743626234
Energy: 0.39195308408840734
Energy: 0.3707312289432964
Energy: 0.4125819213007458
Energy: 0.390115800449397
Energy: 0.4555761044355561
Energy: 0.3847677256899001
Energy: 0.4550540582017644
Energy: 0.4566081747473051
Energy: 0.3582456767251991
Energy: 0.39023952478374346
Energy: 0.4031612615962441
Energy: 0.37698189451072334
Energy: 0.38981855445040176
Energy: 0.4034059816044807
Energy: 0.41020087202300026
Energy: 0.39138908109295506
Energy: 0.3780219649816405
Energy: 0.3970089444613589
Energy: 0.3968979073063611
Energy: 0.3700095095096066
Energy: 0.39763207544326357
Energy: 0.39177910469856797
Energy: 0.3763452852193982
Energy: 0.3817604640226025
Energy: 0.38184976407962073
Energy: 0.37632256527440294
Energy: 0.38453814460395164
Energy: 0.3817146952077087
Energy: 0.4098545463607976
Energy: 0.3714268238713989
Energy: 0.37119118586593197
Energy: 0.4105619291526658
Energy: 0.3725744487516638
Energy: 0.3897419529277663
Energy: 0.41016841603942167
Energy: 0.37211926305942694
Energy: 0.3712227184861153
Energy: 0.41038392874075874
Energy: 0.3713929997963004
Energy: 0.39070448119552403
Energy: 0.3736597432401422
Energy: 0.4435059106780615
Energy: 0.39277697476057427
Energy: 0.35883614053021357
Energy: 0.44577867696610163
Energy: 0.3907022742275166
Energy: 0.44270806650313244
Energy: 0.38516914554069875
Energy: 0.3855520762582147
Energy: 0.4435094405150254
Energy: 0.3851510235500549
Energy: 0.3587906058790652
Energy: 0.41015737809255876
Energy: 0.3708571937738942
Energy: 0.37049167990875825
Energy: 0.4103412130809634
Energy: 0.3707315473430383
Energy: 0.3974365614821861
Energy: 0.4005087199459106
Energy: 0.3710449936567219
Energy: 0.39821218164985905
Energy: 0.40112207589505905
Energy: 0.37085215354735046
Energy: 0.3903018418935146
Energy: 0.3815538536962454
Energy: 0.3920257289381299
Energy: 0.3906016343121873
Energy: 0.38200118822122003
Energy: 0.39011012726920846
Energy: 0.3906384406855655
Energy: 0.3782114840296541
Energy: 0.39734554335932154
Energy: 0.39162281493556445
Energy: 0.37858596861630117
Energy: 0.41038698980875365
Energy: 0.39917603826383485
Energy: 0.3850800821571851
Energy: 0.3693910937294386
Energy: 0.3870637906445012
Energy: 0.3851372383651388
Energy: 0.39573880042159515
Energy: 0.3930405777984879
Energy: 0.37104783266793717
Energy: 0.37989038382396934
Energy: 0.40220179765300484
Energy: 0.3710327483750288
Energy: 0.38193420620170626
Energy: 0.3885740999397412
Energy: 0.37043322268518936
Energy: 0.3977676446820212
Energy: 0.39330289016692965
Energy: 0.37047741331282963
Energy: 0.4100140253146482
Energy: 0.37170081317827036
Energy: 0.372066722438144
Energy: 0.3960365436699229
Energy: 0.3911488604135955
Energy: 0.3724239699826834
Energy: 0.3966940341212006
Energy: 0.39094376624918814
Energy: 0.3898561621160836
Energy: 0.3583269253707649
Energy: 0.3859895539255851
Energy: 0.3903937122006013
Energy: 0.3582683666584865
Energy: 0.39483967040297896
Energy: 0.40313211875257327
Energy: 0.35826156211968807
Energy: 0.35830784535864696
Energy: 0.40331754666204434
Energy: 0.36669950512255006
Energy: 0.3903672933572946
Energy: 0.37586870388154614
Energy: 0.4026559726193137
Energy: 0.4028728481704943
Energy: 0.3762599099099139
Energy: 0.4026976044254963
Energy: 0.38193491461207385
Energy: 0.3759936016992439
Energy: 0.39006367890734256
Energy: 0.3897442405368425
Energy: 0.37638332507717065
Energy: 0.3901494998213307
Energy: 0.3899141806189153
Energy: 0.4132136153385113
Energy: 0.3717076408648181
Energy: 0.39522522711734887
Energy: 0.4106242746595941
Energy: 0.3706043601752307
Energy: 0.3910273973527943
Energy: 0.40983357136415804
Energy: 0.3713429385769036
Energy: 0.37083150233503454
Energy: 0.40977277413864793
Energy: 0.37056654934923616
Energy: 0.39047814995652824
Energy: 0.37631307090913224
Energy: 0.394657525378117
Energy: 0.39978297827595677
Energy: 0.37204360117914304
Energy: 0.394343336270171
Energy: 0.3861091447863318

minimum gb energy = 0.3582456767251991 eV
minimum distance =  2.61117212729024 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.009205997334021967
Energy: 0.01020577083911146
Energy: 0.009560306480664832
Energy: 0.010579150629405908
Energy: 0.4079545627396112
Energy: 0.009515198769518573
Energy: 0.009860283065822805
Energy: 0.05901085810671489
Energy: 0.05926829254170999
Energy: 0.058545848049970664
Energy: 0.05852610899359115
Energy: 0.05869292316311206
Energy: 0.5903701315126316
Energy: 0.4081324634808741
Energy: 0.4086550855743203
Energy: 0.4078592223671216
Energy: 0.40791893489630465
Energy: 0.40797725257907647
Energy: 0.24023797275450434
Energy: 0.05901085810671489
Energy: 0.05926829254206778
Energy: 0.058545848049970664
Energy: 0.05852610899428683
Energy: 0.05869292316414566

minimum gb energy = 0.009205997334021967 eV
minimum distance =  2.81023010442191 Angstroms
sigma value = 1