Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Al__MO_623376124862_001
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=3.9946083426475534
cohesive_energy=3.2851228778493895
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=[2.5887970052171996e-19, 3.1784460718282196e-19, 3.5843415002857797e-19, 3.88870699544676e-19, 4.11757792761366e-19, 4.30101113044032e-19, 4.4510069069154e-19, 4.575159574284059e-19, 4.67869222837314e-19, 4.765498158403259e-19, 4.8390540876702e-19, 4.9049836561593e-19, 4.973861229654959e-19, 5.0462956352781e-19, 5.1047270171200795e-19, 5.146752110229899e-19, 5.178475207583099e-19, 5.20340507600814e-19, 5.22306378330732e-19, 5.23825241779764e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26153204428966e-19, 5.2629259379612395e-19, 5.261451935457959e-19, 5.25691777558374e-19, 5.24885882711472e-19, 5.23730713358358e-19, 5.22295163094294e-19, 5.20753869172386e-19, 5.19082798943124e-19, 5.1667793181549e-19, 5.130794430955259e-19, 5.08293741489768e-19, 5.023384509411899e-19, 4.951190430283859e-19, 4.86475300087956e-19, 4.76232584866794e-19, 4.645959759740519e-19, 4.52978593200918e-19, 4.3992566016372e-19, 4.2190437738448797e-19, 3.9957644381306395e-19, 3.7310528146611595e-19, 3.43056458695446e-19, 3.0748172871410996e-19, 2.6524514828860197e-19, 2.28476796714936e-19, 1.8313359579610198e-19, 1.3462048840689898e-19, 1.046524153385826e-19, 1.2545988328434058e-19, 2.9161216915434e-19, 9.44991015735978e-19]
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: -6.30324146298057e-20 eV

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

Energy: 0.010375782880930677
Energy: 0.25497883338558014
Energy: 0.01068937923081965
Energy: 0.010513340095896896
Energy: 0.2551319438298211
Energy: 0.010662154833263113
Energy: 0.25497883338558014
Energy: 0.05495591534380211
Energy: 0.054950233400549595
Energy: 0.054920009212839405
Energy: 0.05505179549756047
Energy: 0.05484333784320939
Energy: 0.01068937923081965
Energy: 0.054950233400549595
Energy: 0.054825364735787016
Energy: 0.010799326818406358
Energy: 0.05498638801283872
Energy: 0.05489069362412333
Energy: 0.010513340095640061
Energy: 0.05492000921309624
Energy: 0.010799326818406358
Energy: 0.010554466603060142
Energy: 0.05494559989047039
Energy: 0.010642491749737606
Energy: 0.2551319438298211
Energy: 0.05505179549756047
Energy: 0.054986388012581884
Energy: 0.05494559989047039
Energy: 0.05509943171525709
Energy: 0.05494776868825573
Energy: 0.010662154833263113
Energy: 0.05484333784320939
Energy: 0.05489069362412333
Energy: 0.010642491749737606
Energy: 0.05494776868825573
Energy: 0.010531137546735085

minimum gb energy = 0.010375782880930677 eV
minimum distance =  2.82042463986774 Angstroms
sigma value = 1


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

Energy: 0.6452685614903497
Energy: 0.5759618112966522
Energy: 0.41724971617190804
Energy: 0.35672246795243573
Energy: 0.5794600909498729
Energy: 0.4195836062758955
Energy: 0.606928699762667
Energy: 0.3903016539750703
Energy: 0.38163234997701845
Energy: 0.3817796381396702
Energy: 0.39429753616050894
Energy: 0.38250084350299907
Energy: 0.5793311531682533
Energy: 0.3902434180516366
Energy: 0.3911564647741194
Energy: 0.3906205714208792
Energy: 0.38940650034740054
Energy: 0.38616035806526317
Energy: 0.6407926090102836
Energy: 0.3889014533809655
Energy: 0.38971444725915694
Energy: 0.39410915084751647
Energy: 0.38824006291374863
Energy: 0.3855799028023094
Energy: 0.6073280597208872
Energy: 0.3827189554742603
Energy: 0.38096991352274095
Energy: 0.38182756228702336
Energy: 0.3921224804720815
Energy: 0.38079494339347536
Energy: 0.5778455831760153
Energy: 0.38925309978359574
Energy: 0.3892109213833179
Energy: 0.39133425020740037
Energy: 0.39126736656449385
Energy: 0.38946509864489715
Energy: 0.5792258013035068
Energy: 0.3902994813546563
Energy: 0.3893061905053969
Energy: 0.39105426334047283
Energy: 0.39228634800414336
Energy: 0.3888466137213242
Energy: 0.5655824512468929
Energy: 0.3901602464944325
Energy: 0.39429371132494123
Energy: 0.3641417141484346
Energy: 0.390417271049994
Energy: 0.38916594827381923
Energy: 0.46344489803590866
Energy: 0.39282912363095374
Energy: 0.3915640037075015
Energy: 0.39108625612634407
Energy: 0.3919833454130466
Energy: 0.3883488603739232
Energy: 0.4618602979208409
Energy: 0.38312858705839437
Energy: 0.38263277793002765
Energy: 0.38437432042596276
Energy: 0.38207274511915384
Energy: 0.38216456431866386
Energy: 0.437085109973958
Energy: 0.38423755379653707
Energy: 0.38494696746653567
Energy: 0.40040093252094505
Energy: 0.38615553553147586
Energy: 0.38882903826650167
Energy: 0.396883053706738
Energy: 0.3816998332668472
Energy: 0.3818622615397626
Energy: 0.3900746717795443
Energy: 0.3900960725163566
Energy: 0.38595118763530434
Energy: 0.3952299336008716
Energy: 0.380775264595859
Energy: 0.3838248282788754
Energy: 0.3943816510751583
Energy: 0.380610393004948
Energy: 0.38290825383815774
Energy: 0.42338727209307414
Energy: 0.38990834394867113
Energy: 0.38766819933617497
Energy: 0.3952157780059717
Energy: 0.3897755441317887
Energy: 0.3869730264875932
Energy: 0.41416155563780377
Energy: 0.3826263686228096
Energy: 0.38121732764140254
Energy: 0.3891288558238409
Energy: 0.3836063663712649
Energy: 0.38103631632044854
Energy: 0.41669918031598513
Energy: 0.39130719089929733
Energy: 0.39243512729509544
Energy: 0.3913524265519385
Energy: 0.3910089643338893
Energy: 0.3911763214653154
Energy: 0.5361729078129596
Energy: 0.3904748607255592
Energy: 0.38926069364955396
Energy: 0.38928308144812873
Energy: 0.38759451839487424
Energy: 0.38635412613722
Energy: 0.5224301414220146
Energy: 0.39346171062907864
Energy: 0.39173597501635016
Energy: 0.39157525568069274
Energy: 0.39488575878566157
Energy: 0.3916637120110078
Energy: 0.5235329880268198
Energy: 0.3929537673205149
Energy: 0.39195881762221224
Energy: 0.39174476875254477
Energy: 0.3912735292484935
Energy: 0.3917806453670909
Energy: 0.6016896232153597
Energy: 0.39348160543178257
Energy: 0.392272140565437
Energy: 0.39163669403213064
Energy: 0.3919961293771932
Energy: 0.3912960630163826
Energy: 0.6020636429336725
Energy: 0.3904952709562234
Energy: 0.38525357114746944
Energy: 0.38477617633291417
Energy: 0.389594240172701
Energy: 0.38538236960380884
Energy: 0.5861686530947781
Energy: 0.39028589867244234
Energy: 0.3907517117421286
Energy: 0.39012508510834076
Energy: 0.38989059988161057
Energy: 0.3909957964628537
Energy: 0.604180357192992
Energy: 0.3815951185612639
Energy: 0.38233857366102625
Energy: 0.37238927646851794
Energy: 0.38908222254224734
Energy: 0.38271069315966055

minimum gb energy = 0.35672246795243573 eV
minimum distance =  2.61071804776764 Angstroms
sigma value = 33


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

Energy: 0.7903543679811048
Energy: 0.40489149513708217
Energy: 0.42038720595844037
Energy: 0.4187414858174945
Energy: 0.4045287358329066
Energy: 0.4355093417116375
Energy: 0.5756124804323857
Energy: 0.41110522203589617
Energy: 0.4119140545553867
Energy: 0.40474927756166473
Energy: 0.411506675235452
Energy: 0.3944090489373229
Energy: 0.5834944070225154
Energy: 0.41494112356187585
Energy: 0.41455485281284615
Energy: 0.42957556370740735
Energy: 0.40873195984151306
Energy: 0.4182217930757387
Energy: 0.6310766153664724
Energy: 0.4433383512133201
Energy: 0.4110468646479736
Energy: 0.42609534740368793
Energy: 0.4359268915354696
Energy: 0.42592885164057764
Energy: 0.5840106542777681
Energy: 0.3905885438886177
Energy: 0.3902414497721567
Energy: 0.4128299374733766
Energy: 0.3971307729240396
Energy: 0.405580157600547
Energy: 0.6222159244466448
Energy: 0.39428054561739423
Energy: 0.3915986816703952
Energy: 0.4085861127985594
Energy: 0.3879381668661166
Energy: 0.3903342977020527
Energy: 0.6223417286363175
Energy: 0.43122707523312265
Energy: 0.4317385286550199
Energy: 0.4487792180741203
Energy: 0.4274511335425134
Energy: 0.4311849658340728
Energy: 0.5693229879667057
Energy: 0.4274652161264879
Energy: 0.4232636690813163
Energy: 0.3985828276348368
Energy: 0.42711829491689685
Energy: 0.4245000317659428
Energy: 0.5101790734802225
Energy: 0.4275580476012078
Energy: 0.433679027784439
Energy: 0.4381821395150588
Energy: 0.4282601706920237
Energy: 0.43861153166756095
Energy: 0.5168986232567067
Energy: 0.43884855255817246
Energy: 0.43908098730445194
Energy: 0.44395901727318926
Energy: 0.43889789034499904
Energy: 0.4381684634521536
Energy: 0.47954273443030876
Energy: 0.3937178014962074
Energy: 0.39336350225067895
Energy: 0.4728535403766831
Energy: 0.3943041228327628
Energy: 0.3939873596964236
Energy: 0.4545229275014434
Energy: 0.4027157587645242
Energy: 0.4391696786387924
Energy: 0.43986218250339293
Energy: 0.4029602077898877
Energy: 0.43894863577320503
Energy: 0.4540266059831598
Energy: 0.4350494853254492
Energy: 0.4353609312708694
Energy: 0.437033203009146
Energy: 0.4388152279823455
Energy: 0.4368730028107499
Energy: 0.48056878557876936
Energy: 0.42493369554547505
Energy: 0.42498748958311744
Energy: 0.44830131177537463
Energy: 0.4266090728088025
Energy: 0.42579775887969606
Energy: 0.49175986429668217
Energy: 0.439412015396936
Energy: 0.43901328712797605
Energy: 0.4412703461227141
Energy: 0.4409283651911074
Energy: 0.4395689793149026
Energy: 0.4902944143613501
Energy: 0.4549338514924064
Energy: 0.44087466634362943
Energy: 0.4467021594983471
Energy: 0.45551586111031006
Energy: 0.4405859850864787
Energy: 0.6084701404707912
Energy: 0.4379014499076358
Energy: 0.4380945803935756
Energy: 0.4439113885250448
Energy: 0.4423616280819209
Energy: 0.438662340732341
Energy: 0.5533816220182142
Energy: 0.45339777708686924
Energy: 0.4499855689793618
Energy: 0.42705570234602763
Energy: 0.45174803354261717
Energy: 0.4232098823586342
Energy: 0.5542063112969784
Energy: 0.4431101503807225
Energy: 0.44383917902708
Energy: 0.4278029604533628
Energy: 0.44367552653094333
Energy: 0.44392469677904306
Energy: 0.5982772900085075
Energy: 0.4446044259166403
Energy: 0.447041632218211
Energy: 0.44020549194671166
Energy: 0.44614063326315695
Energy: 0.4442206333965838
Energy: 0.6722661725779693
Energy: 0.44006135250901857
Energy: 0.434201457936595
Energy: 0.4369451400743291
Energy: 0.4430367318392891
Energy: 0.43121272487179557
Energy: 0.4462561034574922
Energy: 0.44163333715100167
Energy: 0.44208589134759557
Energy: 0.44025241350219413
Energy: 0.4369582037932206
Energy: 0.4422138436319055
Energy: 0.5960834982252161
Energy: 0.437741509746551
Energy: 0.4429896537390533
Energy: 0.44535945098863383
Energy: 0.43802074015644643
Energy: 0.4441290950866085
Energy: 0.651116768901063
Energy: 0.4375787057715168
Energy: 0.4287561418681139
Energy: 0.4260693242887406
Energy: 0.445024121389831
Energy: 0.4266343763450461
Energy: 0.5963476796742666
Energy: 0.4359441922141955
Energy: 0.43651649059533915
Energy: 0.44494901282733346
Energy: 0.4420180347246685
Energy: 0.4357874367194656
Energy: 0.6236147444988595
Energy: 0.4355155156403778
Energy: 0.434328510178084
Energy: 0.43976265502486894
Energy: 0.43741707108140626
Energy: 0.4350717362698518
Energy: 0.624860329053879
Energy: 0.4377149986153492
Energy: 0.43559440504584546
Energy: 0.4396219284079153
Energy: 0.43666331796959584
Energy: 0.43598856330858893
Energy: 0.5713625415573554
Energy: 0.4271481221271619
Energy: 0.4237205540861403
Energy: 0.43770865451915664
Energy: 0.42798321546462575
Energy: 0.43803270785238513
Energy: 0.5085529531727713
Energy: 0.4272330876846594
Energy: 0.4231331432397024
Energy: 0.43738785954895726
Energy: 0.42694920344358483
Energy: 0.43626842807892374
Energy: 0.5121827692548027
Energy: 0.44006717777277626
Energy: 0.43945688892098406
Energy: 0.445623954995912
Energy: 0.4396596386647558
Energy: 0.43865764469167995
Energy: 0.5406149676940321
Energy: 0.39421134049160994
Energy: 0.3931719657777008
Energy: 0.43872411561587066
Energy: 0.40341190334233346
Energy: 0.3932155958603844
Energy: 0.45353218644137383
Energy: 0.4028767270668044
Energy: 0.402371615650764
Energy: 0.43673966999142405
Energy: 0.40266655956790304
Energy: 0.4363601415745253
Energy: 0.45457880852369054
Energy: 0.43482686392244313
Energy: 0.43283876005260347
Energy: 0.43807919904847387
Energy: 0.4343669974526898
Energy: 0.43673562665141447
Energy: 0.45387782443312114
Energy: 0.4252600636644445
Energy: 0.41440383884328896
Energy: 0.43736507913483386
Energy: 0.4254621916499235
Energy: 0.41970655667112033
Energy: 0.49527162585951795
Energy: 0.4346422671827137
Energy: 0.4355430804241867
Energy: 0.40438772522574323
Energy: 0.4328386524501196
Energy: 0.4364848259189688
Energy: 0.489585308956653
Energy: 0.40113168970775104
Energy: 0.40321498169604325
Energy: 0.4461181102669996
Energy: 0.4019037557013282
Energy: 0.4039307695576102
Energy: 0.4897977023955371
Energy: 0.39651549043539697
Energy: 0.4035010686535563
Energy: 0.4084595917015405
Energy: 0.4011216026129104
Energy: 0.4007917310507154
Energy: 0.5541254532053375
Energy: 0.4510669310420072
Energy: 0.41361240850177006
Energy: 0.42821804844655836
Energy: 0.41407661087116665
Energy: 0.412033065744377
Energy: 0.5532620310902662
Energy: 0.41392503182987916
Energy: 0.41542222702225307
Energy: 0.42704353074424445
Energy: 0.41416924569419883
Energy: 0.42409055813698043
Energy: 0.5843178956979554
Energy: 0.4167521938625927
Energy: 0.4143148299827692
Energy: 0.4056630615066606
Energy: 0.41402171974123564
Energy: 0.41284047394970447
Energy: 0.6501519499402776
Energy: 0.39189116017297654
Energy: 0.3983020430359636
Energy: 0.4007154832926456
Energy: 0.4106961617247909
Energy: 0.4164037081743919

minimum gb energy = 0.3879381668661166 eV
minimum distance =  2.53888975623574 Angstroms
sigma value = 51


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

Energy: 0.6637489635318067
Energy: 0.4075005676103712
Energy: 0.4114376824189479
Energy: 0.3940028570530046
Energy: 0.6212012870886361
Energy: 0.39456151645721593
Energy: 0.5453179459982307
Energy: 0.41287879376445014
Energy: 0.413111040673504
Energy: 0.3970631259056523
Energy: 0.4116170288526699
Energy: 0.42711098314660906
Energy: 0.5951740870042131
Energy: 0.41050733359048786
Energy: 0.411450774071955
Energy: 0.39677580865639833
Energy: 0.4127733726310531
Energy: 0.4111536435351232
Energy: 0.5953136910494591
Energy: 0.40724499137028597
Energy: 0.4241070594239818
Energy: 0.41606040933832145
Energy: 0.42347892802713644
Energy: 0.40988483204750303
Energy: 0.5446730899756224
Energy: 0.3970837352785925
Energy: 0.414223661549293
Energy: 0.39667690348731344
Energy: 0.4028470943228403
Energy: 0.41483412328497643
Energy: 0.5077075824691063
Energy: 0.39731754286613136
Energy: 0.41462472163851066
Energy: 0.4024312063152204
Energy: 0.4023455886957005
Energy: 0.4151685388306968
Energy: 0.5076386388192788
Energy: 0.39733919556189656
Energy: 0.3971357812568045
Energy: 0.39726761829488677
Energy: 0.3968503489329217
Energy: 0.41455841118483405
Energy: 0.4886259146798463
Energy: 0.4135577086755157
Energy: 0.41343885296453947
Energy: 0.41166587164239204
Energy: 0.4137110744599857
Energy: 0.40490870304830795
Energy: 0.41191616018860333
Energy: 0.4139094506728793
Energy: 0.40962044960228444
Energy: 0.41182621157777105
Energy: 0.41227313103990715
Energy: 0.41108353391370356
Energy: 0.4117788089482555
Energy: 0.39678715386252117
Energy: 0.420163351220709
Energy: 0.41178304109508107
Energy: 0.39678521908327397
Energy: 0.41331055292774665
Energy: 0.41260863185519037
Energy: 0.40884249299934927
Energy: 0.4096288346966532
Energy: 0.41168144689903496
Energy: 0.4116556081373889
Energy: 0.4078724642954137
Energy: 0.4375183909533408
Energy: 0.3969138578290665
Energy: 0.4190121523455532
Energy: 0.4107400928685994
Energy: 0.40130249476562846
Energy: 0.4102804452677527
Energy: 0.43713746548217747
Energy: 0.418711555250199
Energy: 0.41072562520201444
Energy: 0.4126004012529626
Energy: 0.41739954035976196
Energy: 0.4111861345464721
Energy: 0.4374684074532972
Energy: 0.4221041389750751
Energy: 0.4123007066109727
Energy: 0.40847757526856954
Energy: 0.4122504152156773
Energy: 0.41241516046182014
Energy: 0.5446687600716366
Energy: 0.41126265644362503
Energy: 0.407350426583948
Energy: 0.4117584269348247
Energy: 0.41113217950227604
Energy: 0.41753409415697096
Energy: 0.544946127467975
Energy: 0.4105586416807865
Energy: 0.4105805828213471
Energy: 0.4121527915662483
Energy: 0.41051248574926125
Energy: 0.4125763773198269
Energy: 0.5450375190217243
Energy: 0.4111053592310123
Energy: 0.4108703486783034
Energy: 0.39699238122733627
Energy: 0.4112299050869586
Energy: 0.41114917965715075
Energy: 0.6432339615190346
Energy: 0.41507387925266487
Energy: 0.404352598727273
Energy: 0.41328982184696694
Energy: 0.41369580124207933
Energy: 0.40352053604024707

minimum gb energy = 0.3940028570530046 eV
minimum distance =  2.61774567281138 Angstroms
sigma value = 19


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

Energy: 0.5743439608935175
Energy: 0.38214886047858465
Energy: 0.4483528835091728
Energy: 0.4482298564001442
Energy: 0.381490489209569
Energy: 0.44895987582153346
Energy: 0.47740504812016743
Energy: 0.3883450243022408
Energy: 0.3884140235893965
Energy: 0.40388139419222335
Energy: 0.3887379128653942
Energy: 0.38844424865681254
Energy: 0.4778046628853731
Energy: 0.38862015117151516
Energy: 0.38889066657639465
Energy: 0.42717224430025896
Energy: 0.3888057933660727
Energy: 0.3885868759941817
Energy: 0.475496714405252
Energy: 0.3885244491764216
Energy: 0.3885521935472408
Energy: 0.41930914959683885
Energy: 0.3886076979726278
Energy: 0.38853515052315346
Energy: 0.43858493021434025
Energy: 0.3883648097612035
Energy: 0.40305567009801296
Energy: 0.38136064367325245
Energy: 0.3890111092981439
Energy: 0.4035951125567329
Energy: 0.4771664221930975
Energy: 0.37786418057456206
Energy: 0.4029859466619735
Energy: 0.40345418452035614
Energy: 0.3779345262112855
Energy: 0.40303173373025797
Energy: 0.4777267667571755
Energy: 0.40332789313464684
Energy: 0.4028264405982165
Energy: 0.4034900430023843
Energy: 0.38151870467247523
Energy: 0.40343909560816166
Energy: 0.4386926945218795
Energy: 0.3778075479131259
Energy: 0.37810008070363244
Energy: 0.4397536900634448
Energy: 0.37773014942672495
Energy: 0.3778428087872232
Energy: 0.38847736724595244
Energy: 0.378114530786
Energy: 0.37810272098207287
Energy: 0.3884572107175605
Energy: 0.3782291301519033
Energy: 0.3780765521900774
Energy: 0.38844250110362555
Energy: 0.3883306922006083
Energy: 0.3885495339141052
Energy: 0.38862500459439
Energy: 0.3811260352165863
Energy: 0.3885374951495032
Energy: 0.38822698653752263
Energy: 0.42032072293896683
Energy: 0.42060158195759084
Energy: 0.38789364614502736
Energy: 0.42023524687301195
Energy: 0.38860349704453223
Energy: 0.438951118790253
Energy: 0.4029353340586848
Energy: 0.40285293239683306
Energy: 0.38839933860492337
Energy: 0.3812742339910524
Energy: 0.3889467434676923
Energy: 0.3779798499583236
Energy: 0.4032429872042117
Energy: 0.40285330728454843
Energy: 0.37915812704098706
Energy: 0.40316132917300196
Energy: 0.4214570987983606
Energy: 0.4390602034130862
Energy: 0.41997464482573005
Energy: 0.4032689375899206
Energy: 0.3885046266428419
Energy: 0.42039554650218125
Energy: 0.40307593955991816
Energy: 0.5706074872424044
Energy: 0.38834598816086846
Energy: 0.3883409423650144
Energy: 0.3781369783137821
Energy: 0.38831077773407763
Energy: 0.37812239295197275
Energy: 0.5708083614608175
Energy: 0.3817127205880591
Energy: 0.37831385292077574
Energy: 0.3777278251217297
Energy: 0.38819692776197634
Energy: 0.3780599660839498
Energy: 0.4775049241371276
Energy: 0.3887185805819828
Energy: 0.3883791698738813
Energy: 0.3813942697812811
Energy: 0.3883253247043961
Energy: 0.38840620861041025
Energy: 0.4759913135802988
Energy: 0.3885315919069281
Energy: 0.38865313412324426
Energy: 0.41865900613531937
Energy: 0.3884209749106613
Energy: 0.38843213831005136
Energy: 0.4762904424609566
Energy: 0.3885298553883068
Energy: 0.38847419087816204
Energy: 0.41852965123706076
Energy: 0.38868703750982664
Energy: 0.3882160323885597
Energy: 0.47762111513903804
Energy: 0.3778220271113551
Energy: 0.40334164807432793
Energy: 0.40327337174576194
Energy: 0.37793052392898774
Energy: 0.40283204223373803
Energy: 0.4767988305045008
Energy: 0.42696243558115615
Energy: 0.4038817757131428
Energy: 0.4208937539214619
Energy: 0.3882974199671891
Energy: 0.402959011206467
Energy: 0.4783710161421065
Energy: 0.4029758575310805
Energy: 0.40442681092687227
Energy: 0.3883019126136472
Energy: 0.3810148913757115
Energy: 0.4029392433804987
Energy: 0.4394559782546192
Energy: 0.3779187085029354
Energy: 0.3778522594626904
Energy: 0.43913134679578275
Energy: 0.3781202828591268
Energy: 0.44789520160331603
Energy: 0.38877023764470553
Energy: 0.388521909034631
Energy: 0.3885104194764924
Energy: 0.38881591120268405
Energy: 0.3987272330501204
Energy: 0.3884208034474063
Energy: 0.38871812226692204
Energy: 0.40334834663734154
Energy: 0.38853208658405075
Energy: 0.3887276305093599
Energy: 0.4271583861834203
Energy: 0.38865994402946114
Energy: 0.4392196938206424
Energy: 0.41930045786281106
Energy: 0.41914021711605837
Energy: 0.3880143772668456
Energy: 0.41932075812844793
Energy: 0.38845356802667963
Energy: 0.478566152318025
Energy: 0.4031531012461754
Energy: 0.4035619874628799
Energy: 0.38886718097117806
Energy: 0.3810227787754867
Energy: 0.40296355397609335
Energy: 0.37778078132047416
Energy: 0.40299219488030275
Energy: 0.40310909076240664
Energy: 0.3778258617950585
Energy: 0.4034062535946863
Energy: 0.40270022207676487
Energy: 0.43953864180498864
Energy: 0.4027861611141909
Energy: 0.40435960586348757
Energy: 0.3819394818098544
Energy: 0.40316350343318047
Energy: 0.40286411500792835
Energy: 0.5704064959480755
Energy: 0.3815079682283814
Energy: 0.37802598299026463
Energy: 0.3780393969120845
Energy: 0.38836344529556427
Energy: 0.3778499299220314

minimum gb energy = 0.3777278251217297 eV
minimum distance =  2.64458296533908 Angstroms
sigma value = 27


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

Energy: 0.4819649469443126
Energy: 0.39037360383407277
Energy: 0.4051086684127308
Energy: 0.4010813241070589
Energy: 0.6710365075820224
Energy: 0.40520277100630836
Energy: 0.4620991835121335
Energy: 0.3901980800777696
Energy: 0.3899626613082536
Energy: 0.3732903159578397
Energy: 0.39006681575004537
Energy: 0.3547517254876224
Energy: 0.42715329924518275
Energy: 0.39021127026699565
Energy: 0.39020902182091277
Energy: 0.3833774995744227
Energy: 0.39011677386245175
Energy: 0.3702641078358184
Energy: 0.42664126231815386
Energy: 0.3899267939996136
Energy: 0.3708240244239413
Energy: 0.3841742120527801
Energy: 0.39018883584458175
Energy: 0.3707596589796485
Energy: 0.46238940339342166
Energy: 0.393650479955338
Energy: 0.3701191250123054
Energy: 0.39024963595819157
Energy: 0.39371912775153084
Energy: 0.36986256246521215
Energy: 0.390377648159453
Energy: 0.4079156360962586
Energy: 0.40003224079444466
Energy: 0.390786651176427
Energy: 0.40416174936068044
Energy: 0.36846070187232466
Energy: 0.3903655506268465
Energy: 0.3709938880023857
Energy: 0.36943687956519405
Energy: 0.3904301652041144
Energy: 0.37433749346184475
Energy: 0.39035433547044635
Energy: 0.41165421933451385
Energy: 0.37766091002841806
Energy: 0.36944149974380364
Energy: 0.411527543722253
Energy: 0.38379039318089525
Energy: 0.3687156966601321
Energy: 0.42699121382661803
Energy: 0.3745698075070983
Energy: 0.37230575276783645
Energy: 0.3900800267252085
Energy: 0.37266877912554436
Energy: 0.3691394130953511
Energy: 0.42656154899801707
Energy: 0.3847733254759439
Energy: 0.3840794113956847
Energy: 0.39233780235279647
Energy: 0.397539169019575
Energy: 0.3844527439822604
Energy: 0.4271381407371715
Energy: 0.3889467304860914
Energy: 0.38965908586854436
Energy: 0.37019970992048234
Energy: 0.3891513714654106
Energy: 0.3900859139201255
Energy: 0.4265193240751616
Energy: 0.369012701294066
Energy: 0.37070548236058276
Energy: 0.3733426778984344
Energy: 0.3687469504297024
Energy: 0.35399473269115034

minimum gb energy = 0.35399473269115034 eV
minimum distance =  2.64457944747068 Angstroms
sigma value = 9


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

Energy: 0.38785163845634396
Energy: 0.35521501992100957
Energy: 0.3403979380507782
Energy: 0.34226963353459317
Energy: 0.3607545757312976
Energy: 0.34070656849425834
Energy: 0.42702885669589313
Energy: 0.3396261701840872
Energy: 0.3457896368181059
Energy: 0.3347726033849157
Energy: 0.33953504893067976
Energy: 0.336388980480487
Energy: 0.3641592953774724
Energy: 0.33994358597773217
Energy: 0.33959626777207463
Energy: 0.34323636988568385
Energy: 0.33955695155130544
Energy: 0.34256963771007154
Energy: 0.36535633525228944
Energy: 0.33063356506581276
Energy: 0.3281945714697565
Energy: 0.3402459437684629
Energy: 0.334060244991619
Energy: 0.3281763117330217
Energy: 0.3860740201979451
Energy: 0.3321124344217382
Energy: 0.3481370886681008
Energy: 0.33972073644458844
Energy: 0.33555845212030455
Energy: 0.34309668508878177
Energy: 0.3395834918268632
Energy: 0.33736199081411195
Energy: 0.3465849046822676
Energy: 0.33957807388632943
Energy: 0.333521446830019
Energy: 0.34677027653169795
Energy: 0.34115500203178645
Energy: 0.32470046713892636
Energy: 0.32446369551235354
Energy: 0.34211910252354594
Energy: 0.32980622147126815
Energy: 0.3400907492760338
Energy: 0.3474855485861626
Energy: 0.3414765684775123
Energy: 0.3388984588891299
Energy: 0.3476416232541489
Energy: 0.3389440053493585
Energy: 0.3378346965396442
Energy: 0.47025172170623686
Energy: 0.3371356504236337
Energy: 0.34946378721827787
Energy: 0.34122930448768185
Energy: 0.33719330875969933
Energy: 0.3482738936834419
Energy: 0.3356835116027389
Energy: 0.3276896550063295
Energy: 0.3251178689555893
Energy: 0.3355133369376067
Energy: 0.33665634933902555
Energy: 0.3217658039570524
Energy: 0.33150485472983215
Energy: 0.33942476074802586
Energy: 0.3478914145766178
Energy: 0.33584464026339883
Energy: 0.3393198654465557
Energy: 0.348700232120975
Energy: 0.4540506832297236
Energy: 0.33962315336595555
Energy: 0.33964955321561807
Energy: 0.3318143343802986
Energy: 0.3396548437681111
Energy: 0.34208339268834365
Energy: 0.445445097476687
Energy: 0.3379263378010317
Energy: 0.3518528497553281
Energy: 0.3383394458948148
Energy: 0.33515557590662376
Energy: 0.3525368157325991
Energy: 0.4540120735830612
Energy: 0.3408105485439818
Energy: 0.3459271407466253
Energy: 0.33175442555452617
Energy: 0.3404825477832415
Energy: 0.3415419561493608
Energy: 0.3417452629065816
Energy: 0.33486332755225295
Energy: 0.3355574121509123
Energy: 0.34210346676256626
Energy: 0.3359521799595162
Energy: 0.3517985769698003
Energy: 0.3397220938568678
Energy: 0.34167729790743445
Energy: 0.3485644242831453
Energy: 0.3400505146033073
Energy: 0.35039005874428947
Energy: 0.3415821046499073
Energy: 0.3387385521741206
Energy: 0.32977162121426323
Energy: 0.3406871317298491
Energy: 0.3387093698767906
Energy: 0.329568033137759
Energy: 0.33599088907315267
Energy: 0.3649205368075885
Energy: 0.3336251763055042
Energy: 0.3300241348351618
Energy: 0.3392981737183257
Energy: 0.3332556919599313
Energy: 0.34531064570076014
Energy: 0.3640573326982459
Energy: 0.3334720048256324
Energy: 0.3352824382560025
Energy: 0.33941639874397633
Energy: 0.3344701768672363
Energy: 0.34516449433699536
Energy: 0.3644472045000288
Energy: 0.33628561905074367
Energy: 0.3379715358596602
Energy: 0.33572012381775407
Energy: 0.3353833471220557
Energy: 0.3476682974336809
Energy: 0.3640827685744372
Energy: 0.34697312405457914
Energy: 0.3434054519052706
Energy: 0.34052582654542346
Energy: 0.34698366617497056
Energy: 0.337882939181136
Energy: 0.3874893386147544
Energy: 0.3401279230324888
Energy: 0.347227980630891
Energy: 0.3303395584983673
Energy: 0.33953398214412134
Energy: 0.3462894939760701
Energy: 0.39054308780147173
Energy: 0.3397967692934595
Energy: 0.35432864161411104
Energy: 0.3305243875021179
Energy: 0.3396844641503477
Energy: 0.3272404149457128
Energy: 0.428175630591835
Energy: 0.3397816799313788
Energy: 0.3398402364959737
Energy: 0.3459560192427023
Energy: 0.33904447904816354
Energy: 0.34418572048572904
Energy: 0.44846988443439667
Energy: 0.3405988816399228
Energy: 0.3525844610490533
Energy: 0.3344374777175704
Energy: 0.33984848858781547
Energy: 0.3519817553139307
Energy: 0.4483179926050538
Energy: 0.3295014669890682
Energy: 0.3404158525383763
Energy: 0.34080614075304444
Energy: 0.3321066498940348
Energy: 0.3422069047751067
Energy: 0.33494603238251924
Energy: 0.3565915325934939
Energy: 0.36637892986917403
Energy: 0.32516499517824515
Energy: 0.353203507520291
Energy: 0.3391000266153074
Energy: 0.3396438090563915
Energy: 0.3250316614967196
Energy: 0.34264248624570853
Energy: 0.33983934962462214
Energy: 0.3330581794939423
Energy: 0.3436128532716227
Energy: 0.33931804402990506
Energy: 0.33318091632688285
Energy: 0.347528286459634
Energy: 0.3393956522915224
Energy: 0.3445729862590441
Energy: 0.3400885058019883
Energy: 0.3554962280880957
Energy: 0.3473243040796713
Energy: 0.3389446135903584
Energy: 0.3449866053746901
Energy: 0.33868747305679786
Energy: 0.3374070191082104
Energy: 0.3314236480748131
Energy: 0.33430080744333657
Energy: 0.3484116508097244
Energy: 0.335114658604717
Energy: 0.33489023758734077
Energy: 0.34978766041915765
Energy: 0.33778591411799913
Energy: 0.3477539310032167
Energy: 0.3309585410325549
Energy: 0.34028713548484746
Energy: 0.34776777484015714
Energy: 0.3220313474999396
Energy: 0.45604193038344193
Energy: 0.33987391155448615
Energy: 0.33983555785254704
Energy: 0.3406000302201928
Energy: 0.342352616496814
Energy: 0.3375354988293167
Energy: 0.3617330457754747
Energy: 0.33965298258252996
Energy: 0.3404177535570852
Energy: 0.3336081731593427
Energy: 0.3394129902607886
Energy: 0.33799307232456455
Energy: 0.36549846629229127
Energy: 0.34052699431746164
Energy: 0.3428887636842107
Energy: 0.33536946667690337
Energy: 0.33955549409645497
Energy: 0.3402346177214974
Energy: 0.35755503315117526
Energy: 0.3364965477193524
Energy: 0.33895106647951195
Energy: 0.34519075394026066
Energy: 0.33633034152544655
Energy: 0.3376526787597227
Energy: 0.340183695099674
Energy: 0.3473592806151941
Energy: 0.3425964431270835
Energy: 0.3404871492716911
Energy: 0.3472325576028691
Energy: 0.3387595402766854
Energy: 0.3390786054954484
Energy: 0.3365299307776055
Energy: 0.33661526198553116
Energy: 0.33872207043518276
Energy: 0.33558641463802485
Energy: 0.35303406407047255
Energy: 0.3299658721291563
Energy: 0.3579939729812452
Energy: 0.35467368481464867
Energy: 0.33004556493905157
Energy: 0.35131743620172023
Energy: 0.33715507198148653
Energy: 0.3631094653458451
Energy: 0.33721065965315206
Energy: 0.33684085383802276
Energy: 0.33889546979251856
Energy: 0.33577257281820144
Energy: 0.33979433454067925
Energy: 0.36380084401776536
Energy: 0.33946787701728093
Energy: 0.3367814117446218
Energy: 0.3354216240985609
Energy: 0.33802057122116114
Energy: 0.33856202693159176
Energy: 0.3642165372551432
Energy: 0.3364161190045473
Energy: 0.33736520293504707
Energy: 0.3413752427160219
Energy: 0.33577854878544977
Energy: 0.34032391710506416
Energy: 0.4305175611507431
Energy: 0.3392558998808251
Energy: 0.33864854540919
Energy: 0.3351426793572216
Energy: 0.33940841769180263
Energy: 0.32739259757564804

minimum gb energy = 0.3217658039570524 eV
minimum distance =  2.6123054836367 Angstroms
sigma value = 57


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

Energy: 0.26045560693930525
Energy: 0.3100820342737337
Energy: 0.19952234934316498
Energy: 0.1869989213811808
Energy: 0.4730141342202227
Energy: 0.25838366744681723
Energy: 0.33938973460619476
Energy: 0.31066598049629807
Energy: 0.31087761856842083
Energy: 0.30933952806089293
Energy: 0.3109293765646418
Energy: 0.31059509848636224
Energy: 0.34126501502110035
Energy: 0.3137894319625539
Energy: 0.31722759416949137
Energy: 0.32744617242002233
Energy: 0.3263290725859033
Energy: 0.31342688248874045
Energy: 0.3406617129028701
Energy: 0.3134135977114531
Energy: 0.31901424348124574
Energy: 0.32891900344602265
Energy: 0.3295625734760204
Energy: 0.3140813422871555
Energy: 0.3390379662353469
Energy: 0.18824858260072128
Energy: 0.19861965769423018
Energy: 0.3055283048674391
Energy: 0.18753193257961107
Energy: 0.3154322345678958
Energy: 0.34003537980117743
Energy: 0.19185819030203582
Energy: 0.1881077095599291
Energy: 0.3346434299354948
Energy: 0.19043138786076505
Energy: 0.19642247773143068
Energy: 0.3376044474719363
Energy: 0.32491918091241195
Energy: 0.3312805219350843
Energy: 0.33368400398891823
Energy: 0.32482218311767463
Energy: 0.3307141844209941
Energy: 0.34028064296615634
Energy: 0.32545647998970556
Energy: 0.32632044040318886
Energy: 0.33633481878259003
Energy: 0.3243018610154039
Energy: 0.3296313667182237
Energy: 0.35532346138526305
Energy: 0.3274344239231834
Energy: 0.330161168256388
Energy: 0.33598082605308144
Energy: 0.3344594154341987
Energy: 0.32710820328989654
Energy: 0.18990977404772638
Energy: 0.33430678934264313
Energy: 0.19242660125704536
Energy: 0.19006304408436833
Energy: 0.3441784845692634
Energy: 0.19717734727570413
Energy: 0.1872521573948512
Energy: 0.33231229709188664
Energy: 0.3346765186807476
Energy: 0.18744378468372452
Energy: 0.33328327028735993
Energy: 0.1966295414136803
Energy: 0.35615047483966544
Energy: 0.33380381098595485
Energy: 0.325264673397633
Energy: 0.3240004952014648
Energy: 0.33418526571670554
Energy: 0.32517390842635957
Energy: 0.357590869767706
Energy: 0.33535224660716634
Energy: 0.33432285512706406
Energy: 0.3250566260788525
Energy: 0.3274791777164121
Energy: 0.33242343757271947
Energy: 0.3551396662871359
Energy: 0.3245559679245606
Energy: 0.3300597448310727
Energy: 0.33362042943056264
Energy: 0.3239623962223666
Energy: 0.33037063520019
Energy: 0.35700187277625756
Energy: 0.18936846739872387
Energy: 0.1919129568634622
Energy: 0.3470822459911322
Energy: 0.18749841769919529
Energy: 0.19681594944576125
Energy: 0.3222350947764152
Energy: 0.31505975225396166
Energy: 0.3221153014699248
Energy: 0.3228009578604083
Energy: 0.18776740859167645
Energy: 0.3150348432627545
Energy: 0.32341193126350315
Energy: 0.30906285794278865
Energy: 0.31788781267154514
Energy: 0.3298395442626545
Energy: 0.32735194915680454
Energy: 0.31032897143380817
Energy: 0.339966928989416
Energy: 0.31894362029240075
Energy: 0.30533165098710907
Energy: 0.3065344689085041
Energy: 0.299456160418483
Energy: 0.3161539357264649
Energy: 0.260780954044045
Energy: 0.31076270099236547
Energy: 0.31232966886660357
Energy: 0.18747637191745914
Energy: 0.31117574427500555
Energy: 0.31438865426221585

minimum gb energy = 0.1869989213811808 eV
minimum distance =  2.59720492136016 Angstroms
sigma value = 11


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

Energy: 0.4800370369876817
Energy: 0.3747909177128308
Energy: 0.28499101428464935
Energy: 0.287933074955307
Energy: 0.3752018700915342
Energy: 0.33829283645303015
Energy: 0.27129010148137883
Energy: 0.28284170552487387
Energy: 0.2775740337750836
Energy: 0.27594392960247055
Energy: 0.27031928943236283
Energy: 0.2817551571300871
Energy: 0.27523466837600785
Energy: 0.2792832177950857
Energy: 0.27884297854176715
Energy: 0.2747559790739846
Energy: 0.27920933003423376
Energy: 0.28075583012907296
Energy: 0.2754933351714533
Energy: 0.28186152348875393
Energy: 0.2819741412504683
Energy: 0.2753678646181796
Energy: 0.27101103957046974
Energy: 0.27588071978413403
Energy: 0.2715098209293418
Energy: 0.33525264116662895
Energy: 0.3062214500462832
Energy: 0.27083677478853946
Energy: 0.3110702943145987
Energy: 0.2752020860986217
Energy: 0.28572412549443166
Energy: 0.3076714748264575
Energy: 0.2819677096055589
Energy: 0.3175334746387806
Energy: 0.2800760542794683
Energy: 0.2744431195895129
Energy: 0.28883614975249927
Energy: 0.2740906972058374
Energy: 0.27964026366220884
Energy: 0.27231722901559285
Energy: 0.27824150713600304
Energy: 0.2774747743272463
Energy: 0.2881420944046023
Energy: 0.3219583916869593
Energy: 0.3233048402060906
Energy: 0.28421708228112413
Energy: 0.32120278513635814
Energy: 0.28419845901485763
Energy: 0.28776100859367415
Energy: 0.2749609842019378
Energy: 0.2808053146261694
Energy: 0.2745996011900647
Energy: 0.2723357679802886
Energy: 0.27911383926571104
Energy: 0.4113644238576731
Energy: 0.3418227225346751
Energy: 0.30073635431574564
Energy: 0.2769493763569818
Energy: 0.34779536123046995
Energy: 0.30894746752135477
Energy: 0.4038287177268055
Energy: 0.3053293673417542
Energy: 0.30290761973645397
Energy: 0.27703304032568604
Energy: 0.3126025952581643
Energy: 0.3044935996729048
Energy: 0.28896120478697684
Energy: 0.26906586874202526
Energy: 0.28055788796165304
Energy: 0.3955674567351859
Energy: 0.2675496933950476
Energy: 0.2801790707959854
Energy: 0.3802142758629137
Energy: 0.2698944644119456
Energy: 0.2804803357156215
Energy: 0.38078251893761483
Energy: 0.27110980911417026
Energy: 0.2819008330835447
Energy: 0.33284525140364835
Energy: 0.33492684410154056
Energy: 0.33410548256589506
Energy: 0.2710951607453961
Energy: 0.30151509338513494
Energy: 0.3339232199782445
Energy: 0.4001337883812816
Energy: 0.2853433195875076
Energy: 0.2822144354872407
Energy: 0.4000926601334254
Energy: 0.2840790811678373
Energy: 0.3497447934511122
Energy: 0.4016417368052929
Energy: 0.335015141974553
Energy: 0.33390063364224076
Energy: 0.27728135144772714
Energy: 0.31073989793058976
Energy: 0.33469582777501916
Energy: 0.47717065407385195
Energy: 0.3109268318290868
Energy: 0.28245423139993986
Energy: 0.34190874158324236
Energy: 0.37021527495782147
Energy: 0.2831697380773523
Energy: 0.507945293609897
Energy: 0.3075758486163447
Energy: 0.3354546361683545
Energy: 0.2795757904985884
Energy: 0.3466121694744426
Energy: 0.3350195982035152
Energy: 0.4039908053309125
Energy: 0.278613905880721
Energy: 0.2781905628218515
Energy: 0.2729199768844103
Energy: 0.2802728664369876
Energy: 0.3074685760346375
Energy: 0.3820512264451971
Energy: 0.3268666403599436
Energy: 0.33257176603587035
Energy: 0.2780184553438299
Energy: 0.40794732150347407
Energy: 0.3309486527102955
Energy: 0.4016985512885644
Energy: 0.30816424822835015
Energy: 0.30754021690505495
Energy: 0.2721310838841236
Energy: 0.33653337813201123
Energy: 0.30600302376051663
Energy: 0.43086659779140424
Energy: 0.2853222535014829
Energy: 0.2829086050291037
Energy: 0.3578478531244135
Energy: 0.2836802602840865
Energy: 0.3732413233600672
Energy: 0.27247120809696157
Energy: 0.30712207302518035
Energy: 0.3079090353723274
Energy: 0.2713429298410972
Energy: 0.274014621769817
Energy: 0.3069374563553808
Energy: 0.32212940673734164
Energy: 0.27470311991718666
Energy: 0.28274973563504224
Energy: 0.32187283327305555
Energy: 0.2761396541314325
Energy: 0.2791980393061362
Energy: 0.272311370335942
Energy: 0.27368937400787174
Energy: 0.27977748189849533
Energy: 0.3340367812299674
Energy: 0.2730070012437447
Energy: 0.28346770569136537
Energy: 0.2998506709543826
Energy: 0.2713069546923872
Energy: 0.27448483931930745
Energy: 0.3470855379793162
Energy: 0.2824735991784353
Energy: 0.27405538297158566

minimum gb energy = 0.2675496933950476 eV
minimum distance =  2.63331749373046 Angstroms
sigma value = 41


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

Energy: 0.6162803433158872
Energy: 0.43477102765132614
Energy: 0.4667632336402136
Energy: 0.3025999820753664
Energy: 0.43480643468375035
Energy: 0.3310480440669822
Energy: 0.28346684343277107
Energy: 0.28741938599664096
Energy: 0.2873671225423687
Energy: 0.2856073841786671
Energy: 0.28236538108313886
Energy: 0.28145706344941657
Energy: 0.28375939938269296
Energy: 0.28341453690387425
Energy: 0.28329842735784266
Energy: 0.28201600321036036
Energy: 0.2834177123984404
Energy: 0.2832135622949806
Energy: 0.2843660142483779
Energy: 0.28332885579099243
Energy: 0.2794852748883145
Energy: 0.2831491733620585
Energy: 0.2833873735062529
Energy: 0.2832871630025054
Energy: 0.2825930260178583
Energy: 0.28769830588567863
Energy: 0.29012088738002006
Energy: 0.2820924722794492
Energy: 0.28838565308298675
Energy: 0.2861733967246969
Energy: 0.3787371846064431
Energy: 0.28514236310537966
Energy: 0.29722316768937207
Energy: 0.2825512230732921
Energy: 0.2894284166402231
Energy: 0.2941675925954625
Energy: 0.30979667200424027
Energy: 0.2827628556363953
Energy: 0.28248291151904653
Energy: 0.28220823018546504
Energy: 0.2923042069613781
Energy: 0.28286997193583985
Energy: 0.296664818031537
Energy: 0.28580156346343216
Energy: 0.28569650002871616
Energy: 0.29007344261302853
Energy: 0.28595024725358914
Energy: 0.30215201324772545
Energy: 0.43689554906741573
Energy: 0.28310367386486823
Energy: 0.28289386799772454
Energy: 0.2909503196871052
Energy: 0.2835204392833289
Energy: 0.28275883826065806
Energy: 0.31325880866067357
Energy: 0.2953614303129389
Energy: 0.2919873022790382
Energy: 0.28732417887656336
Energy: 0.2956711044166883
Energy: 0.28164077441066726
Energy: 0.31264861297759783
Energy: 0.2864733408417461
Energy: 0.2882884581376883
Energy: 0.28640077509347867
Energy: 0.2957932410944825
Energy: 0.2875142611241695
Energy: 0.43642611847114193
Energy: 0.2733781300008654
Energy: 0.2892099137348472
Energy: 0.2864111168286675
Energy: 0.27305897658280526
Energy: 0.28801994179984064
Energy: 0.2869925148956925
Energy: 0.27328519205747687
Energy: 0.2891084944017594
Energy: 0.2855528325421664
Energy: 0.27318799352972517
Energy: 0.28986799035339517
Energy: 0.2887608274275313
Energy: 0.28326541658114335
Energy: 0.28120578646357924
Energy: 0.28445523187702176
Energy: 0.28864080439314965
Energy: 0.2827298614883855
Energy: 0.36320839125843424
Energy: 0.30109279299470604
Energy: 0.2853867256075737
Energy: 0.36343862079009565
Energy: 0.30549726986831516
Energy: 0.3094186369098337
Energy: 0.28435363802739316
Energy: 0.2929395637340958
Energy: 0.2831497300191544
Energy: 0.28963843390697874
Energy: 0.2814535837320116
Energy: 0.2831272598673929
Energy: 0.5849326326243622
Energy: 0.2888133212113663
Energy: 0.296247627549531
Energy: 0.2791967383843529
Energy: 0.28330936562069897
Energy: 0.2943018105019419
Energy: 0.29366097454958184
Energy: 0.2895086098852977
Energy: 0.2839945054877018
Energy: 0.2890545038029198
Energy: 0.2807782195389709
Energy: 0.27329754540075213
Energy: 0.2852205573651566
Energy: 0.28335770750759665
Energy: 0.28359689075369365
Energy: 0.28481810993512796
Energy: 0.28349889038337045
Energy: 0.28360211885868136
Energy: 0.2835876523474032
Energy: 0.2835108560265888
Energy: 0.28260728361081544
Energy: 0.28171863764268373
Energy: 0.28355522545505607
Energy: 0.2818708219099824
Energy: 0.2835420548727896
Energy: 0.28505569450458534
Energy: 0.28149239515357255
Energy: 0.28316099658814237
Energy: 0.28376406171944935
Energy: 0.28100422385808405
Energy: 0.4712867821278641
Energy: 0.2916437883316229
Energy: 0.29558412213276936
Energy: 0.374414338551278
Energy: 0.29029386001052787
Energy: 0.2947200066593374
Energy: 0.3099120230611326
Energy: 0.2841632188464741
Energy: 0.2815929054204878
Energy: 0.2834852413155942
Energy: 0.28383676527682467
Energy: 0.28302387262198564
Energy: 0.29653414714905363
Energy: 0.30117603532473947
Energy: 0.29942187052911284
Energy: 0.29109001458032135
Energy: 0.2855201916054786
Energy: 0.2893469833657958
Energy: 0.3099581239789054
Energy: 0.28308199145527435
Energy: 0.2825953266522646
Energy: 0.28721788022709854
Energy: 0.2868918647595804
Energy: 0.2827546290536897
Energy: 0.31261349643291386
Energy: 0.2950425087144759
Energy: 0.2879345598882191
Energy: 0.28478168606169346
Energy: 0.29666366736641536
Energy: 0.2884838874124992
Energy: 0.31242146248196606
Energy: 0.2953923286194594
Energy: 0.28518684332634914
Energy: 0.2850663039664468
Energy: 0.2952394923669405
Energy: 0.2852710197400751
Energy: 0.4368672157176034
Energy: 0.29561063808118526
Energy: 0.2902321715131492
Energy: 0.295914007673844
Energy: 0.28792378576889055
Energy: 0.2889790682560494
Energy: 0.35902703476811065
Energy: 0.296312418750892
Energy: 0.29666344648980614
Energy: 0.2858235557047259
Energy: 0.2969074440610785
Energy: 0.29631061150464466
Energy: 0.28763288737032855
Energy: 0.28766407292798796
Energy: 0.28878215035361393
Energy: 0.2831662870003184
Energy: 0.2871499441247657
Energy: 0.29136430268963465
Energy: 0.28946805350894017
Energy: 0.28195578807982496
Energy: 0.2935373119330145
Energy: 0.2855761891602846
Energy: 0.28342412034239267
Energy: 0.2898407509837502
Energy: 0.284331906037205
Energy: 0.28369767221768316
Energy: 0.29016236394483264
Energy: 0.2847286539997151
Energy: 0.2838393753689021
Energy: 0.28161768613666815
Energy: 0.327844502108031
Energy: 0.282588484280179
Energy: 0.273230651361679
Energy: 0.285925185574495
Energy: 0.2895133192752372
Energy: 0.2732822682665568

minimum gb energy = 0.27305897658280526 eV
minimum distance =  2.61669743615761 Angstroms
sigma value = 33


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

Energy: 0.43461266249188635
Energy: 0.3483497145402018
Energy: 0.30139638896652854
Energy: 0.3366950905645254
Energy: 0.3483362249277235
Energy: 0.35670003155594293
Energy: 0.3568909328850662
Energy: 0.31034800001410684
Energy: 0.309126394587573
Energy: 0.32429648662671495
Energy: 0.30960964344019043
Energy: 0.31703831511689357
Energy: 0.35579515791090566
Energy: 0.3500339688712571
Energy: 0.30718384317448605
Energy: 0.3163449985014084
Energy: 0.30704945715871756
Energy: 0.35194952056277423
Energy: 0.36346002400987043
Energy: 0.31466565079704395
Energy: 0.3061131592973718
Energy: 0.36961006154587844
Energy: 0.315978712918879
Energy: 0.31264761056343304
Energy: 0.35620571649360727
Energy: 0.33678452312544677
Energy: 0.32612595874780476
Energy: 0.33714284579703396
Energy: 0.3373237833783844
Energy: 0.33226514306131705
Energy: 0.3955199390305712
Energy: 0.3342021566345003
Energy: 0.3385612093966302
Energy: 0.3426646670236034
Energy: 0.33387864188010624
Energy: 0.3358497062295289
Energy: 0.373916671890169
Energy: 0.3110610773431516
Energy: 0.3091732549912184
Energy: 0.3519420086343599
Energy: 0.3184411938337985
Energy: 0.33318431377500013
Energy: 0.35818340721388725
Energy: 0.38937142582778234
Energy: 0.3524441379234908
Energy: 0.3391840921462598
Energy: 0.39767661652450564
Energy: 0.3242592938715657
Energy: 0.3738481521883446
Energy: 0.35630306292301167
Energy: 0.3516676202524788
Energy: 0.3704051605441754
Energy: 0.35225871091315053
Energy: 0.35352217475576103
Energy: 0.39060172888990996
Energy: 0.3632582699696627
Energy: 0.3698023592519321
Energy: 0.3591489672600935
Energy: 0.3540370159016288
Energy: 0.3702491603401531
Energy: 0.37830295891533516
Energy: 0.35631154648312785
Energy: 0.35389515094916146
Energy: 0.3571574561317784
Energy: 0.34909228483992505
Energy: 0.36387133572417973
Energy: 0.3747359079552155
Energy: 0.31898020108802605
Energy: 0.3503464594323445
Energy: 0.3486429562339417
Energy: 0.3266094530472816
Energy: 0.3367134952519932
Energy: 0.35867798902142534
Energy: 0.3175205229718847
Energy: 0.3503220062899577
Energy: 0.3503296771276759
Energy: 0.3282296498053847
Energy: 0.353451902517811
Energy: 0.3671265758130014
Energy: 0.3599270919947169
Energy: 0.35353770899329173
Energy: 0.35234477206521436
Energy: 0.359690875918166
Energy: 0.3526603645930267
Energy: 0.32399151727023195
Energy: 0.3596410789489209
Energy: 0.36159676872334395
Energy: 0.3530171110855174
Energy: 0.3635880074718961
Energy: 0.356016565342947
Energy: 0.378075997435508
Energy: 0.36499366854990745
Energy: 0.36051999339890595
Energy: 0.36458418664823405
Energy: 0.3700701923518811
Energy: 0.3595149591526633
Energy: 0.600466865786881
Energy: 0.3889922705968643
Energy: 0.3356117695413148
Energy: 0.33372429529292924
Energy: 0.39169361742776937
Energy: 0.33611830861962844
Energy: 0.3646223303020393
Energy: 0.37095157613959817
Energy: 0.37200221770808595
Energy: 0.35003219818162185
Energy: 0.37503187812609773
Energy: 0.3619082048415367
Energy: 0.3813473462409454
Energy: 0.3380260542663446
Energy: 0.3355568469274863
Energy: 0.37727984863023606
Energy: 0.33816185629080947
Energy: 0.3751122216985958
Energy: 0.37544426366482875
Energy: 0.3378224546352534
Energy: 0.3257597572249575
Energy: 0.36841465432571924
Energy: 0.3384005912049096
Energy: 0.3682080046301205
Energy: 0.37553587570174357
Energy: 0.35725668316262355
Energy: 0.35676425462842026
Energy: 0.3552462516969793
Energy: 0.360247133777259
Energy: 0.35896800454007427
Energy: 0.3655457471576838
Energy: 0.3563286527995957
Energy: 0.3541385964835581
Energy: 0.36453835679906116
Energy: 0.3501266836168422
Energy: 0.36403570752118963
Energy: 0.3699342257217452
Energy: 0.36001594557696537
Energy: 0.35221647821680635
Energy: 0.3538282493911908
Energy: 0.3477088097609108
Energy: 0.35757604619382827
Energy: 0.32563719134343116
Energy: 0.3540450455072249
Energy: 0.2914233106242422
Energy: 0.29275796841720514
Energy: 0.35619149790221166
Energy: 0.3114480657995025
Energy: 0.322934271154782
Energy: 0.3494968044639586
Energy: 0.3542290709061442
Energy: 0.30755031215863976
Energy: 0.34975413093460067
Energy: 0.3499942559803114
Energy: 0.3633194932111532
Energy: 0.35978289542944164
Energy: 0.3536710718154959
Energy: 0.35820544298211987
Energy: 0.35979108468194976
Energy: 0.3538487969098438
Energy: 0.36638025821042963
Energy: 0.3547394927659088
Energy: 0.36711940471859783
Energy: 0.3593384452405584
Energy: 0.3529727787175721
Energy: 0.3617531383193276
Energy: 0.3830916760153958
Energy: 0.36963524912092494
Energy: 0.3633210560563783
Energy: 0.38199081561573284
Energy: 0.335729453248419
Energy: 0.3637142654916592
Energy: 0.3985211723480348
Energy: 0.3335205340151618
Energy: 0.3386692068535745
Energy: 0.3864490732937971
Energy: 0.33366231369270377
Energy: 0.37756860272645537
Energy: 0.3936997343570306
Energy: 0.3665629979302788
Energy: 0.3662353195995068
Energy: 0.37249980653476156
Energy: 0.35918385460802194
Energy: 0.36644622180125874
Energy: 0.3589748771805506
Energy: 0.3771006432662876
Energy: 0.3355961727035997
Energy: 0.33910537238109895
Energy: 0.40312255254307083
Energy: 0.33010787155931043
Energy: 0.39570438115259654
Energy: 0.357353860855573
Energy: 0.35623410482755946
Energy: 0.3822173766901711
Energy: 0.3589897203374542
Energy: 0.3594410266849574
Energy: 0.37834771990590216
Energy: 0.35294844448703105
Energy: 0.3531534023500378
Energy: 0.35808002347557344
Energy: 0.3532179549060187
Energy: 0.36066144158258157
Energy: 0.37828871783857926
Energy: 0.3585430561157528
Energy: 0.3675902643321409
Energy: 0.35827906054533604
Energy: 0.3509715470922263
Energy: 0.3660258317847789
Energy: 0.3775941075646027
Energy: 0.3514265696495213
Energy: 0.33846897537538934
Energy: 0.34709944531767933
Energy: 0.3432879987289981
Energy: 0.362034907316194
Energy: 0.365419898230858
Energy: 0.31749630901081655
Energy: 0.343124274304971
Energy: 0.35998081976959573
Energy: 0.31722611819985314
Energy: 0.35899179464290665
Energy: 0.3614458406566942
Energy: 0.3603554803110946
Energy: 0.36044361631259886
Energy: 0.35317957400743
Energy: 0.35981432297929455
Energy: 0.3509460365375465
Energy: 0.3472101397315572
Energy: 0.3987293163073438
Energy: 0.39974504554966395
Energy: 0.34672961262448093
Energy: 0.3994281509379881
Energy: 0.39282588348684216
Energy: 0.36084732638707046
Energy: 0.3642253492078934
Energy: 0.3567300717432976
Energy: 0.3517435550284104
Energy: 0.3696272050615182
Energy: 0.3542741879275794
Energy: 0.3822421781988676
Energy: 0.38943890781384277
Energy: 0.37234700441951835
Energy: 0.3338302602221963
Energy: 0.38616210531701706
Energy: 0.3362562154704163
Energy: 0.38210605489771654
Energy: 0.322721415569005
Energy: 0.341812472769195
Energy: 0.34026178909577315
Energy: 0.31894326006005946
Energy: 0.32836706073101035
Energy: 0.36435059045783136
Energy: 0.3372119778509643
Energy: 0.33505268718627823
Energy: 0.37982266969315603
Energy: 0.33652236254768514
Energy: 0.3478053606109601
Energy: 0.3318078299176588
Energy: 0.33838917161249954
Energy: 0.32451509357562947
Energy: 0.3260782815205142
Energy: 0.3385805873967687
Energy: 0.3241388350915791
Energy: 0.342359231931343
Energy: 0.32186115495354817
Energy: 0.32100863814763503
Energy: 0.3499000177743035
Energy: 0.3218994794372506
Energy: 0.30950177930377465
Energy: 0.35149690339022455
Energy: 0.3525300098601415
Energy: 0.31681858632378146
Energy: 0.3477147816302937
Energy: 0.3282434031520258
Energy: 0.3481119414597988
Energy: 0.35774439056130575
Energy: 0.31258383963662617
Energy: 0.31223160396911503
Energy: 0.31126208433597236
Energy: 0.3129248444514019
Energy: 0.32205674078579555
Energy: 0.36742843342452935
Energy: 0.32480121102114
Energy: 0.33561971464007856
Energy: 0.33279801640362716
Energy: 0.3104257344371644
Energy: 0.3414146160605028

minimum gb energy = 0.2914233106242422 eV
minimum distance =  2.58203133747796 Angstroms
sigma value = 67


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

Energy: 0.4826668274008936
Energy: 0.3176545029409426
Energy: 0.33662649624515834
Energy: 0.3365388856345026
Energy: 0.31687740324792063
Energy: 0.33666695288088705
Energy: 0.33081957258848615
Energy: 0.32167499813106787
Energy: 0.32083900432254653
Energy: 0.3136193819859991
Energy: 0.3210713557362167
Energy: 0.314959122410657
Energy: 0.31685482449923563
Energy: 0.2980888226171365
Energy: 0.30304614375222566
Energy: 0.30289006006115216
Energy: 0.2977867242959284
Energy: 0.3024829053948213
Energy: 0.32154760765011964
Energy: 0.30785259810410587
Energy: 0.30266335515757714
Energy: 0.30650741279343213
Energy: 0.30269849716096675
Energy: 0.3082054023516654
Energy: 0.3317511696784961
Energy: 0.3232178508355722
Energy: 0.3150817703169855
Energy: 0.3309044992524501
Energy: 0.3148032765858186
Energy: 0.31486880829017927
Energy: 0.33146933703167203
Energy: 0.32267602933893647
Energy: 0.31657082997685376
Energy: 0.3305670246206936
Energy: 0.3230768066564549
Energy: 0.317911502848184
Energy: 0.3395386109021656
Energy: 0.3210656732111233
Energy: 0.32160309092777745
Energy: 0.29420438948003313
Energy: 0.32091829460055754
Energy: 0.3214662113410983

minimum gb energy = 0.29420438948003313 eV
minimum distance =  2.63939586592741 Angstroms
sigma value = 3


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

Energy: 0.5315431492680361
Energy: 0.6068183082842901
Energy: 0.3417473069850953
Energy: 0.41113649232421007
Energy: 0.605280429776105
Energy: 0.35539515436956987
Energy: 0.39753754419632664
Energy: 0.3797248869452072
Energy: 0.3798910396741891
Energy: 0.36495015097762873
Energy: 0.38048604685171833
Energy: 0.36378217348223807
Energy: 0.4260648511585026
Energy: 0.3838164864367121
Energy: 0.38364568992328263
Energy: 0.3994067191319129
Energy: 0.3828580774679305
Energy: 0.39177701179601604
Energy: 0.4191161670399513
Energy: 0.36178789953824847
Energy: 0.3777973363296706
Energy: 0.38282232750170103
Energy: 0.36615218778421454
Energy: 0.3548802868321927
Energy: 0.3972890350819828
Energy: 0.3452194661520254
Energy: 0.39810189328878137
Energy: 0.37123529997321414
Energy: 0.38343739624518686
Energy: 0.36621036786211003
Energy: 0.3891083618720405
Energy: 0.38390156516858115
Energy: 0.3602416477287223
Energy: 0.38617985645911357
Energy: 0.3843975450776815
Energy: 0.39247534748885804
Energy: 0.39070158622976864
Energy: 0.3924184023380821
Energy: 0.3879972115129751
Energy: 0.38742104854205617
Energy: 0.3401651685292027
Energy: 0.38656773262969524
Energy: 0.42721796840591075
Energy: 0.4244197761372064
Energy: 0.3865360777742462
Energy: 0.38882419570845383
Energy: 0.42012023199549325
Energy: 0.37828797562435895
Energy: 0.3927755019991143
Energy: 0.39226345610399277
Energy: 0.39829354016077984
Energy: 0.3985638734479923
Energy: 0.38978150002703776
Energy: 0.3995109889166087
Energy: 0.4404605680993111
Energy: 0.407104652602615
Energy: 0.40749763546316287
Energy: 0.4286866981499739
Energy: 0.4071407061237781
Energy: 0.35696917220329005
Energy: 0.4096411394871435
Energy: 0.3576279582209577
Energy: 0.372772867186233
Energy: 0.38535475748896697
Energy: 0.35960422063651853
Energy: 0.3941213258336359
Energy: 0.39672997094608214
Energy: 0.3975043062337711
Energy: 0.39716545643278944
Energy: 0.3802802473777242
Energy: 0.3866025912305162
Energy: 0.3927090210196265
Energy: 0.3630930338029783
Energy: 0.38627183392046016
Energy: 0.3932126905178315
Energy: 0.3585687074025513
Energy: 0.3797007223164272
Energy: 0.3850496330948516
Energy: 0.4228241743234302
Energy: 0.39337531988342456
Energy: 0.39333808837385603
Energy: 0.38457289902575614
Energy: 0.39557741225386167
Energy: 0.3897176700325086
Energy: 0.3899866303657571
Energy: 0.4393264383726499
Energy: 0.4263333906284179
Energy: 0.3732903436645569
Energy: 0.42351907543193423
Energy: 0.4044795798439452
Energy: 0.4404415346359747
Energy: 0.4026450313414658
Energy: 0.4038168107419315
Energy: 0.39710567227821425
Energy: 0.4019864655585012
Energy: 0.40036575301972266
Energy: 0.43983703727071527
Energy: 0.39313399126914644
Energy: 0.39358999198093486
Energy: 0.4383656758967907
Energy: 0.39232102133889096
Energy: 0.36247718747988816
Energy: 0.43344412943452804
Energy: 0.389409827118575
Energy: 0.4135951163914119
Energy: 0.4342848255681366
Energy: 0.3673378917706463
Energy: 0.40611781544599224
Energy: 0.4628337233029596
Energy: 0.42505956960369634
Energy: 0.4067007746609548
Energy: 0.3911769144331838
Energy: 0.42166653970421425
Energy: 0.3969046618080314
Energy: 0.405420149257457
Energy: 0.4140501203182655
Energy: 0.42184623374533115
Energy: 0.39790599911384406
Energy: 0.4176563922328382
Energy: 0.406465801164626
Energy: 0.38290152917123144
Energy: 0.37329316855889944
Energy: 0.3771117554805314
Energy: 0.37445018900738114
Energy: 0.3944062331671716
Energy: 0.38626313391740535
Energy: 0.38437266805298653
Energy: 0.37359968253776443
Energy: 0.3737088635882414
Energy: 0.38220117523726355
Energy: 0.37783429813275604
Energy: 0.37682621792951426
Energy: 0.3953952837794763
Energy: 0.3814748328657445
Energy: 0.37878544547945187
Energy: 0.3945405565621468
Energy: 0.38193482287646874
Energy: 0.38349673278846813
Energy: 0.39020906249291354
Energy: 0.3845403150494996
Energy: 0.3850004948080454
Energy: 0.40132378226045345
Energy: 0.38873242403137725
Energy: 0.3949476604890053
Energy: 0.41834143436775684
Energy: 0.39977992365556475
Energy: 0.4010115749538407
Energy: 0.41236177043420225
Energy: 0.4010620595872821
Energy: 0.4071556453751199
Energy: 0.4248632745860384
Energy: 0.3872423802436632
Energy: 0.34445760209822746
Energy: 0.35964469535300897
Energy: 0.43029481029020983
Energy: 0.35563335584328043
Energy: 0.347066276741289
Energy: 0.41705361030426435
Energy: 0.33442814591657277
Energy: 0.3530182245445282
Energy: 0.42682408271358563
Energy: 0.35519173701743656
Energy: 0.42827061492838847
Energy: 0.40218752071441405
Energy: 0.4034338561471933
Energy: 0.4128137411301167
Energy: 0.4085050060110864
Energy: 0.40641722985646145
Energy: 0.403183888556792
Energy: 0.3845306038960545
Energy: 0.3838082643660884
Energy: 0.405002817920708
Energy: 0.38499266036267304
Energy: 0.409725985679527
Energy: 0.40857981409561006
Energy: 0.4161942909899805
Energy: 0.3892724669261813
Energy: 0.4088775982505107
Energy: 0.3817178063720625
Energy: 0.39235923900985287
Energy: 0.3913392805238687
Energy: 0.38949747683209596
Energy: 0.38778164190436193
Energy: 0.39225829073806234
Energy: 0.41144253396624053
Energy: 0.3908976249357751
Energy: 0.3983369346403487
Energy: 0.3869906159191721
Energy: 0.39458156329346344
Energy: 0.39804529013516127
Energy: 0.39166431764010967
Energy: 0.39394871814314125
Energy: 0.4277488997993349
Energy: 0.3865537024867672
Energy: 0.397506389318726
Energy: 0.39625637606572905
Energy: 0.4069962282484151
Energy: 0.38143446042906715
Energy: 0.42761838721094575
Energy: 0.39649831436259564
Energy: 0.4304427179254054
Energy: 0.38383665618841184
Energy: 0.39222060838434064
Energy: 0.39936225827963867
Energy: 0.3873564004280429
Energy: 0.38600690213274164
Energy: 0.3713023423648171
Energy: 0.4142097516282409
Energy: 0.3742458564318839
Energy: 0.393041537116146
Energy: 0.40106996905930725
Energy: 0.4070681754338916
Energy: 0.40729754868368206
Energy: 0.39940176271178096
Energy: 0.41194818429145325
Energy: 0.35489399376860653
Energy: 0.419764320276225
Energy: 0.3921643290073216
Energy: 0.39127409946981145
Energy: 0.3856314648430574
Energy: 0.3883539523872208
Energy: 0.3921869055251485
Energy: 0.3634314205336606
Energy: 0.39189844003563246
Energy: 0.394446595423511
Energy: 0.3598358488746141
Energy: 0.3926643839452029
Energy: 0.3862556350386287
Energy: 0.38892162483510195
Energy: 0.39563652206136063
Energy: 0.3945330752850332
Energy: 0.3792038035572993
Energy: 0.4005548861088914
Energy: 0.391381315582299
Energy: 0.3831632899433149
Energy: 0.4290437093607559
Energy: 0.4183769375254887
Energy: 0.37232651069178097
Energy: 0.42849021249869623
Energy: 0.40945121140411517
Energy: 0.4444340268075475
Energy: 0.4173475207312262
Energy: 0.4194287127563386
Energy: 0.4007013728759474
Energy: 0.41322782055015284
Energy: 0.4118629695040719
Energy: 0.4463844860456894
Energy: 0.3657392908614796
Energy: 0.36629334471965097
Energy: 0.44420676492529537
Energy: 0.39171888988538495
Energy: 0.4154968775760932
Energy: 0.46268316793961073
Energy: 0.3928160733753678
Energy: 0.38186326669790266
Energy: 0.44370452384465575
Energy: 0.39374194201907553
Energy: 0.35934904296239356
Energy: 0.44672608390293894
Energy: 0.4049082022366448
Energy: 0.40615233847549936
Energy: 0.41154314196067326
Energy: 0.40210727301271304
Energy: 0.4001400809725848
Energy: 0.4844272596141459
Energy: 0.41453586658883235
Energy: 0.4170433193077594
Energy: 0.4089803526170358
Energy: 0.372884243774155
Energy: 0.39533272510031264
Energy: 0.3943910268367074
Energy: 0.3880728713057817
Energy: 0.3844722739758519
Energy: 0.3737885019869382
Energy: 0.3514587866182643
Energy: 0.38178870086874195
Energy: 0.3835753298961457
Energy: 0.37606706952932284
Energy: 0.35076890373298797
Energy: 0.3822305614726526
Energy: 0.3524042441812676
Energy: 0.3754184151069435
Energy: 0.40014442924992577
Energy: 0.33104796257865493
Energy: 0.3880114248561234
Energy: 0.37389806413206095
Energy: 0.33431879124132396
Energy: 0.35635166463067325
Energy: 0.394643564578515
Energy: 0.38360217762534615
Energy: 0.35647725344247205
Energy: 0.3750654324198256
Energy: 0.38043116508845387
Energy: 0.3565141971536614
Energy: 0.39544016669283916
Energy: 0.39212380166168287
Energy: 0.3940535996025075
Energy: 0.35834858383059714
Energy: 0.3900763518920191
Energy: 0.36159470034392943
Energy: 0.37600702465612307
Energy: 0.3742295565874205
Energy: 0.3753418277775181
Energy: 0.35157097436469653
Energy: 0.3877635889366586
Energy: 0.36309624862118317

minimum gb energy = 0.33104796257865493 eV
minimum distance =  2.61262149589688 Angstroms
sigma value = 81


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

Energy: 0.7285564164551339
Energy: 0.37272129038903035
Energy: 0.4009260527106665
Energy: 0.40038822671109364
Energy: 0.48840155923940215
Energy: 0.45664791737865806
Energy: 0.329953109738442
Energy: 0.36007605637998297
Energy: 0.3499406137963461
Energy: 0.33316480245538904
Energy: 0.3506248681246968
Energy: 0.31277058634166877
Energy: 0.3165675680935994
Energy: 0.3850956811666452
Energy: 0.3858686698458754
Energy: 0.31257218778278023
Energy: 0.3905131442004262
Energy: 0.4831832849002691
Energy: 0.3318324341335958
Energy: 0.3881732901533679
Energy: 0.30996737123623475
Energy: 0.3312337576416233
Energy: 0.3877555843035915
Energy: 0.3086528864577154
Energy: 0.36720694047536045
Energy: 0.3767012450804845
Energy: 0.3937924363425137
Energy: 0.424512081248569
Energy: 0.3627787132016696
Energy: 0.39007796556117297
Energy: 0.4689084692414062
Energy: 0.4074296242392908
Energy: 0.41004966070915183
Energy: 0.5024326740398909
Energy: 0.36218073121702427
Energy: 0.49871666080009486
Energy: 0.4386004689619422
Energy: 0.3789872629949039
Energy: 0.3785673896229546
Energy: 0.4121540949849874
Energy: 0.4040557962106293
Energy: 0.4080439470400509
Energy: 0.462502743699565
Energy: 0.5369216453608461
Energy: 0.5094363609848519
Energy: 0.43095657910268437
Energy: 0.44684734981954666
Energy: 0.4403346813577202
Energy: 0.43783948996743044
Energy: 0.37696710221935753
Energy: 0.40983351211090874
Energy: 0.4051615421819818
Energy: 0.3781278807251915
Energy: 0.4057190608466957
Energy: 0.3836423781229273
Energy: 0.41850546326107513
Energy: 0.4352190907923644
Energy: 0.43643435581533424
Energy: 0.391824610270895
Energy: 0.3927044614039053
Energy: 0.40853690285918576
Energy: 0.3657431824501278
Energy: 0.36319952147225354
Energy: 0.3671974900536151
Energy: 0.2930172002411899
Energy: 0.39179876190168034
Energy: 0.4151181683929123
Energy: 0.37427710443190004
Energy: 0.3823784930632014
Energy: 0.400287610359811
Energy: 0.38179717044884504
Energy: 0.38302091326242427
Energy: 0.4145350469237251
Energy: 0.3883049933167175
Energy: 0.3873704838510698
Energy: 0.39104938395147704
Energy: 0.398372128446291
Energy: 0.38556675014503083
Energy: 0.3355678586152533
Energy: 0.3127169577103166
Energy: 0.3847096271645701
Energy: 0.392356268821801
Energy: 0.3983726672351664
Energy: 0.419913883911358
Energy: 0.4212731788948379
Energy: 0.4244812469562403
Energy: 0.42805767784836934
Energy: 0.43578264692919716
Energy: 0.5069668531442496
Energy: 0.49986140482625635
Energy: 0.4016306932287916
Energy: 0.4291034839653353
Energy: 0.44562674302824423
Energy: 0.3895899534055266
Energy: 0.41254188033856953
Energy: 0.48246836339277677
Energy: 0.44703725991898735
Energy: 0.4301873809296474
Energy: 0.4307659745457021
Energy: 0.4462231707600901
Energy: 0.43036399379815293
Energy: 0.440402290760513
Energy: 0.4653189437696283
Energy: 0.41372662842386193
Energy: 0.41292407958948163
Energy: 0.5098353079709558
Energy: 0.4134079348978742
Energy: 0.41413491420385107
Energy: 0.4135707693636652
Energy: 0.4275971132570129
Energy: 0.42159060551051586
Energy: 0.394697946354467
Energy: 0.4439914069805261
Energy: 0.3760594451619632
Energy: 0.4151454259918075
Energy: 0.4280296895214262
Energy: 0.4218241296159775
Energy: 0.4198917981146074
Energy: 0.44136454834530725
Energy: 0.3761784561780717
Energy: 0.3946649987370951
Energy: 0.3822740326051888
Energy: 0.3778187378207906
Energy: 0.38908886445035235
Energy: 0.39210456013908207
Energy: 0.3786134792557503
Energy: 0.3931082110470429
Energy: 0.38196624186940564
Energy: 0.3814184419768193
Energy: 0.3917391519985011
Energy: 0.38295696638422233
Energy: 0.3822013952138207
Energy: 0.39797109053994134
Energy: 0.3855473062447047
Energy: 0.3772483008667615
Energy: 0.4007680322438298
Energy: 0.38579827184429794
Energy: 0.42331389905176575
Energy: 0.3877020712382206
Energy: 0.4969803837825306
Energy: 0.4259396612296838
Energy: 0.4287791184951801
Energy: 0.4342069015593934
Energy: 0.5016242037277738
Energy: 0.36951896891683017
Energy: 0.4650891503713607
Energy: 0.43661987450086576
Energy: 0.4209875176822995
Energy: 0.3900801166004741
Energy: 0.36826832238342083
Energy: 0.4625663887790676
Energy: 0.37868193516887905
Energy: 0.4132356263381628
Energy: 0.41338114065484743
Energy: 0.44620598667785855
Energy: 0.4022340462599572
Energy: 0.462316960909643
Energy: 0.40516782974015214
Energy: 0.4130820549536142
Energy: 0.4127953411989328
Energy: 0.5527527718812124
Energy: 0.4139424521260992
Energy: 0.44104361626453664
Energy: 0.3581244860428582
Energy: 0.4053914257251488
Energy: 0.3998665545296794
Energy: 0.39863537119605225
Energy: 0.4185939592023979
Energy: 0.43019793580546567
Energy: 0.3667096226795052
Energy: 0.3766096053273329
Energy: 0.4257873219699805
Energy: 0.41609363316655157
Energy: 0.4216979300666084
Energy: 0.39593389585615585
Energy: 0.37736500161069714
Energy: 0.3772935277544424
Energy: 0.39104720605155546
Energy: 0.38074846695569353
Energy: 0.37522346144855745
Energy: 0.41449176735568505
Energy: 0.41053569861654277
Energy: 0.38897395754545705
Energy: 0.38527526859432903
Energy: 0.5000234265023181
Energy: 0.3879034824290375
Energy: 0.4005280990363776
Energy: 0.3857112268747533
Energy: 0.38067709688911017
Energy: 0.3983335242395762
Energy: 0.3847618895259313
Energy: 0.375729442410625
Energy: 0.4555166271377962
Energy: 0.4194752623297086
Energy: 0.4944632138018553
Energy: 0.4174877850640103
Energy: 0.4205020442617161
Energy: 0.4213614641695805
Energy: 0.40696730176735185
Energy: 0.36955769833190794
Energy: 0.4970322785300227
Energy: 0.3630822340307727
Energy: 0.4208510515922875
Energy: 0.37741685929539326
Energy: 0.4069440903103485
Energy: 0.3539650849189296
Energy: 0.36062129795242653
Energy: 0.40662759520669167
Energy: 0.4070841984493335
Energy: 0.3560310973763701
Energy: 0.4076727657452979
Energy: 0.42978596334519714
Energy: 0.4299038900011716
Energy: 0.3930926898393876
Energy: 0.42998337597062036
Energy: 0.5039288702813363
Energy: 0.33019299582965306
Energy: 0.36866082792233673
Energy: 0.39028571315494104
Energy: 0.3145566444866231
Energy: 0.386096406724619
Energy: 0.37317356162035653
Energy: 0.4646493748279764
Energy: 0.40205080825103556
Energy: 0.40097344265021434
Energy: 0.39357644008836384
Energy: 0.4019742965237727
Energy: 0.45625467662617375

minimum gb energy = 0.2930172002411899 eV
minimum distance =  2.59567866504422 Angstroms
sigma value = 43


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

Energy: 0.5335185870575809
Energy: 0.405680738966531
Energy: 0.3482386646284479
Energy: 0.4190394225204654
Energy: 0.405855077234713
Energy: 0.41874511475954684
Energy: 0.3948015660278731
Energy: 0.31234497364845626
Energy: 0.3122512946153576
Energy: 0.3608992076188388
Energy: 0.3204876370922742
Energy: 0.34434674223598755
Energy: 0.3633549624706201
Energy: 0.3493080056736154
Energy: 0.34939749060411945
Energy: 0.41082003535395356
Energy: 0.34913067068802184
Energy: 0.3788054011800876
Energy: 0.3681497338887685
Energy: 0.36594824375226287
Energy: 0.35764167368312844
Energy: 0.3681073953352283
Energy: 0.3841456166706471
Energy: 0.37040670307099816
Energy: 0.3345359902000787
Energy: 0.29853872521240643
Energy: 0.2982432409985826
Energy: 0.33475046887826043
Energy: 0.29873779808577333
Energy: 0.29853680045729064
Energy: 0.31613786311828646
Energy: 0.29871891898479996
Energy: 0.29918815046879266
Energy: 0.2988104527165767
Energy: 0.30229952139698985
Energy: 0.2990421828128758
Energy: 0.3176834854190937
Energy: 0.31690034660155275
Energy: 0.30585439188321867
Energy: 0.2972606507708413
Energy: 0.31698218636005454
Energy: 0.30360334611584433
Energy: 0.4068098781589612
Energy: 0.3715326642532035
Energy: 0.3666981693116949
Energy: 0.36209361820636243
Energy: 0.3714302353525261
Energy: 0.3961281437000588
Energy: 0.3304730941279407
Energy: 0.3838834308060195
Energy: 0.382687589558954
Energy: 0.33618712899548514
Energy: 0.3838620261647461
Energy: 0.3895221975919276
Energy: 0.45002065863842816
Energy: 0.3919418354655906
Energy: 0.3746545592418496
Energy: 0.44917839229377876
Energy: 0.37100036817613113
Energy: 0.3724558362566968
Energy: 0.33379706125468067
Energy: 0.3776120119293678
Energy: 0.37032442988815945
Energy: 0.3147758368739545
Energy: 0.33355275134710927
Energy: 0.3128046312340094
Energy: 0.4273770944911352
Energy: 0.39089086874077367
Energy: 0.3789739840416052
Energy: 0.31439246942934324
Energy: 0.3964306861438024
Energy: 0.36971983123622365
Energy: 0.4275159834691809
Energy: 0.39049535497164134
Energy: 0.40612098562564103
Energy: 0.3697037873926153
Energy: 0.3886826272253332
Energy: 0.3921360330382414
Energy: 0.3332171044596506
Energy: 0.32241741554540726
Energy: 0.31004668716274314
Energy: 0.3357614849745048
Energy: 0.31594809387231854
Energy: 0.31061841644781363
Energy: 0.33405767003865916
Energy: 0.32155151003814614
Energy: 0.3175742033882631
Energy: 0.3176149584660416
Energy: 0.30261442797352367
Energy: 0.31708312118788917
Energy: 0.3546020674773911
Energy: 0.2992868177020328
Energy: 0.3194123231696472
Energy: 0.3547168997789197
Energy: 0.3056158347545994
Energy: 0.32151520109360515
Energy: 0.34440676514641555
Energy: 0.34341780795740284
Energy: 0.34334831271266025
Energy: 0.37145765891191246
Energy: 0.3186209540464993
Energy: 0.3528959499374588
Energy: 0.3434737428465467
Energy: 0.3455654660082784
Energy: 0.34575434648095094
Energy: 0.35479093285249463
Energy: 0.35068076595525205
Energy: 0.34608262573176485
Energy: 0.3978930328432207
Energy: 0.3751814843167495
Energy: 0.37260065170238643
Energy: 0.3670632183292096
Energy: 0.3838772169702602
Energy: 0.39682070497803756
Energy: 0.4069895374314527
Energy: 0.36341929085700525
Energy: 0.35553146961580195
Energy: 0.3813260950195395
Energy: 0.3840512887807093
Energy: 0.38605135668019847
Energy: 0.3426728072572754
Energy: 0.3433413203729669
Energy: 0.3436850972605442
Energy: 0.3438290633441955
Energy: 0.33761708236549687
Energy: 0.35685819152632325
Energy: 0.36984898426174523
Energy: 0.4042263039419428
Energy: 0.3982806262058585
Energy: 0.3695265342461674
Energy: 0.38595486736184226
Energy: 0.4207479942024814
Energy: 0.3806161801155028
Energy: 0.34323214343507985
Energy: 0.34338267025599356
Energy: 0.3452940884073608
Energy: 0.34435743020807075
Energy: 0.3502301685945444
Energy: 0.3864955417863717
Energy: 0.3616913121105836
Energy: 0.3561777887595162
Energy: 0.3351177733581149
Energy: 0.43152671630501693
Energy: 0.345981201522193
Energy: 0.3336054395229634
Energy: 0.34387737972060034
Energy: 0.37203832031319817
Energy: 0.3451401626859353
Energy: 0.3439231379451958
Energy: 0.3634631332607235
Energy: 0.33931969648745186
Energy: 0.32435668934856304
Energy: 0.30977722780565975
Energy: 0.3172868431181595
Energy: 0.3335629560027701
Energy: 0.31828255608524186
Energy: 0.33932691779882396
Energy: 0.3275938625838635
Energy: 0.3175254228914859
Energy: 0.32151371106867477
Energy: 0.31830363087485375
Energy: 0.31714079277940155
Energy: 0.3406960498862126
Energy: 0.3168020946224492
Energy: 0.3236532291839113
Energy: 0.3223577566394373
Energy: 0.32569192149416126
Energy: 0.3057966284249263
Energy: 0.31898612085382827
Energy: 0.3674937301203819
Energy: 0.3828596630651371
Energy: 0.31921538288773116
Energy: 0.3580429192035069
Energy: 0.3980241187797877
Energy: 0.3957916304355303
Energy: 0.3172332774859645
Energy: 0.3171070531886743
Energy: 0.38130585139390466
Energy: 0.31158980972906786
Energy: 0.36112248445531386
Energy: 0.3301699312930036
Energy: 0.35767013370772066
Energy: 0.3689231924827391
Energy: 0.3988932583576073
Energy: 0.3848994783977449
Energy: 0.33818512187696265

minimum gb energy = 0.2972606507708413 eV
minimum distance =  2.57148779079736 Angstroms
sigma value = 57


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

Energy: 0.43974025324674937
Energy: 0.4166355058206164
Energy: 0.41644299569305016
Energy: 0.3442568070485774
Energy: 0.6073810770407284
Energy: 0.41583707620184124
Energy: 0.37917398229210986
Energy: 0.34671430130395203
Energy: 0.3470939600202495
Energy: 0.3630048964789373
Energy: 0.3464537345777063
Energy: 0.3185104510229253
Energy: 0.3500208057414988
Energy: 0.3036641456469967
Energy: 0.3036057745561574
Energy: 0.35820383809901774
Energy: 0.3043892548926382
Energy: 0.3032722265392937
Energy: 0.3566695787418762
Energy: 0.3030313463966292
Energy: 0.3037769413656457
Energy: 0.35685829994222035
Energy: 0.3035061928731451
Energy: 0.3400384968106366
Energy: 0.3393531064020766
Energy: 0.2978377796955009
Energy: 0.2980811220441579
Energy: 0.35306991051044956
Energy: 0.29801515976941784
Energy: 0.29133126632444195
Energy: 0.3440338040101247
Energy: 0.2910300273043958
Energy: 0.29112257573097944
Energy: 0.3029335404957326
Energy: 0.3028217964365517
Energy: 0.2912067283753318
Energy: 0.35876496343716313
Energy: 0.35737153170610164
Energy: 0.35849627489898384
Energy: 0.31949968176712906
Energy: 0.35736021465488815
Energy: 0.3103355342869986
Energy: 0.35437273625306775
Energy: 0.35213547395773914
Energy: 0.366481763990287
Energy: 0.3055752139673553
Energy: 0.3521721698699897
Energy: 0.35824781190089267
Energy: 0.36310669974553805
Energy: 0.3646290352089553
Energy: 0.3646243994954668
Energy: 0.3464095258951012
Energy: 0.36411893955229074
Energy: 0.3460918517119001
Energy: 0.4422605143141918
Energy: 0.3404521226278659
Energy: 0.33726268485613053
Energy: 0.44266492167390653
Energy: 0.3367337391022649
Energy: 0.36042943339332184
Energy: 0.3596281894558042
Energy: 0.34021032806445145
Energy: 0.3483993200943638
Energy: 0.36300649883445957
Energy: 0.35166689836330367
Energy: 0.3601174894323033
Energy: 0.3453458643631398
Energy: 0.36443615693181336
Energy: 0.3593013278443971
Energy: 0.3233124014075035
Energy: 0.36461459927059137
Energy: 0.3869495375840239
Energy: 0.34457558196608484
Energy: 0.3579290988102762
Energy: 0.4063892197987593
Energy: 0.4062918956815923
Energy: 0.362650013816902
Energy: 0.38845083295199073
Energy: 0.3761422279764088
Energy: 0.34591117306252517
Energy: 0.3183671046815529
Energy: 0.3649602169322018
Energy: 0.34606696595152436
Energy: 0.3467806098781185
Energy: 0.35082820565516504
Energy: 0.30433552110912787
Energy: 0.32360093904863985
Energy: 0.3350794518438317
Energy: 0.30402334271696013
Energy: 0.3356863544260905
Energy: 0.3567208276121644
Energy: 0.3101087478847877
Energy: 0.3326877299696318
Energy: 0.35698889029542263
Energy: 0.31086637107364845
Energy: 0.3321627579295366
Energy: 0.3402304514010486
Energy: 0.2915081118600046
Energy: 0.29136519628493174
Energy: 0.32311168171029436
Energy: 0.29123149983982055
Energy: 0.29381162363735863
Energy: 0.35368731408162307
Energy: 0.29809820110355567
Energy: 0.2907988146798552
Energy: 0.30270079923526294
Energy: 0.3535409285694316
Energy: 0.2934851675718365
Energy: 0.35896881898577715
Energy: 0.35908981658642575
Energy: 0.35920907891777015
Energy: 0.3113328203426959
Energy: 0.3772187195249627
Energy: 0.3588681732383064
Energy: 0.3587841833872755
Energy: 0.3594950467842962
Energy: 0.33476757118729433
Energy: 0.31138824719924135
Energy: 0.35883956602871503
Energy: 0.3347502470825504
Energy: 0.36328943478470166
Energy: 0.36269135406330527
Energy: 0.34620653304006765
Energy: 0.3476229856585238
Energy: 0.36288286676331366
Energy: 0.3192080083785735
Energy: 0.41720446515613363
Energy: 0.33844816484537893
Energy: 0.36744522038282745
Energy: 0.41733951542966713
Energy: 0.36185653103686216
Energy: 0.3712957425059504
Energy: 0.3760350398516224
Energy: 0.3634799093230803
Energy: 0.36460044996568053
Energy: 0.36494866816786736
Energy: 0.3637167544416073
Energy: 0.34725633980241544
Energy: 0.3446130635586349
Energy: 0.357833085430281
Energy: 0.4063797343542221
Energy: 0.3882220357358001
Energy: 0.36402136361010023
Energy: 0.38853979486864976

minimum gb energy = 0.2907988146798552 eV
minimum distance =  2.61676896173112 Angstroms
sigma value = 17


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

Energy: 0.3251905756561593
Energy: 0.5555385132736206
Energy: 0.37924326753383014
Energy: 0.33287061853703315
Energy: 0.556129347680284
Energy: 0.3210116384472757
Energy: 0.419386967291306
Energy: 0.34663508585802216
Energy: 0.3237436576040563
Energy: 0.3319329290919157
Energy: 0.3434465863612504
Energy: 0.28609966538188214
Energy: 0.4502306703933053
Energy: 0.27502859119328077
Energy: 0.27505748422900533
Energy: 0.324748330790871
Energy: 0.275233695519274
Energy: 0.2753711230542044
Energy: 0.3704921149065763
Energy: 0.27530430139697776
Energy: 0.2749988925757313
Energy: 0.37065729451071383
Energy: 0.28827971122531987
Energy: 0.35059736912495393
Energy: 0.3702181722911782
Energy: 0.2797156412546347
Energy: 0.28006745984940806
Energy: 0.3694632949971049
Energy: 0.2828221426562034
Energy: 0.27945133674536454
Energy: 0.33680388291243085
Energy: 0.2777101297813902
Energy: 0.27865758098893467
Energy: 0.2782042965238193
Energy: 0.33444460049643404
Energy: 0.2767801644128478
Energy: 0.33519107472771037
Energy: 0.33420662461151646
Energy: 0.3355617678957731
Energy: 0.3099726860139922
Energy: 0.33360765011400184
Energy: 0.30638241912200953
Energy: 0.3310626261456092
Energy: 0.2760735208583862
Energy: 0.2756249104501644
Energy: 0.2769951779478895
Energy: 0.27643982955429536
Energy: 0.2968883636754333
Energy: 0.3330017879702064
Energy: 0.2768625712370347
Energy: 0.2762288879225809
Energy: 0.3332860837947557
Energy: 0.2757669474151621
Energy: 0.27716625304110803
Energy: 0.33265048351526244
Energy: 0.2795290625085616
Energy: 0.27901885317818936
Energy: 0.33282588043913297
Energy: 0.2797410402574197
Energy: 0.2787597237254489
Energy: 0.3323976263761842
Energy: 0.2798750038653259
Energy: 0.2789584015146186
Energy: 0.2831177576173421
Energy: 0.35058595093854894
Energy: 0.2800665542018289
Energy: 0.36821318562553057
Energy: 0.3509042819056466
Energy: 0.35307881597664487
Energy: 0.3182165516372233
Energy: 0.37075973325930334
Energy: 0.32458768020721723
Energy: 0.36870896662496055
Energy: 0.3438765162663962
Energy: 0.3430558265765218
Energy: 0.278483044961655
Energy: 0.34868037316111405
Energy: 0.32420449276199226
Energy: 0.37539859387850666
Energy: 0.3231882610833609
Energy: 0.3216674755193945
Energy: 0.35185236774296813
Energy: 0.3248482069628314
Energy: 0.28603064408414425
Energy: 0.4298243948390282
Energy: 0.3283608346169379
Energy: 0.33544361800163025
Energy: 0.430389001756417
Energy: 0.32033906134319273
Energy: 0.33550950063020485
Energy: 0.41163800919671467
Energy: 0.35088505172146744
Energy: 0.28624265119417147
Energy: 0.32865448644017314
Energy: 0.33153562772955597
Energy: 0.32551214552837193
Energy: 0.37178858809476106
Energy: 0.34385552510795414
Energy: 0.3987384352530938
Energy: 0.35032051568203276
Energy: 0.343841402736853
Energy: 0.363998274792168

minimum gb energy = 0.2749988925757313 eV
minimum distance =  2.60571393789952 Angstroms
sigma value = 17


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

Energy: 0.6218249418161161
Energy: 0.4965740391161171
Energy: 0.2948164118047572
Energy: 0.265329349666428
Energy: 0.4957049986528421
Energy: 0.29488776115368676
Energy: 0.39372953057601967
Energy: 0.30954531266526153
Energy: 0.3071435665251504
Energy: 0.3298139234105079
Energy: 0.308450889673884
Energy: 0.26722458354210576
Energy: 0.421891573005064
Energy: 0.2611065158384012
Energy: 0.257944402715248
Energy: 0.3135557738785634
Energy: 0.26115764950254455
Energy: 0.2631566056199635
Energy: 0.35593065405717217
Energy: 0.2631515004905374
Energy: 0.2644143963609559
Energy: 0.35620599139616227
Energy: 0.2646169185376264
Energy: 0.27715761924665555
Energy: 0.3212560052640598
Energy: 0.26742381854292385
Energy: 0.26112714819809246
Energy: 0.3023207917406998
Energy: 0.2671429795612223
Energy: 0.2620247807967961
Energy: 0.29762709639443946
Energy: 0.25928412760395564
Energy: 0.25684377817726445
Energy: 0.25841095988275536
Energy: 0.3174184945548208
Energy: 0.2571178998152343
Energy: 0.3220459209211993
Energy: 0.32028806432549184
Energy: 0.28843970020080434
Energy: 0.2568986632357229
Energy: 0.31859882317777866
Energy: 0.2585279591700746
Energy: 0.30452046903954055
Energy: 0.25258633470684144
Energy: 0.25420178267114263
Energy: 0.2549309223691615
Energy: 0.2533978644651445
Energy: 0.25590989645047457
Energy: 0.30361556174069576
Energy: 0.255620456431606
Energy: 0.26178800537330893
Energy: 0.30426473589317377
Energy: 0.2581409489764391
Energy: 0.3030912197996411
Energy: 0.30234123782609973
Energy: 0.25316989951291996
Energy: 0.2527277585348171
Energy: 0.30245876387047427
Energy: 0.25329896778371164
Energy: 0.25253828178998755
Energy: 0.3092709886198038
Energy: 0.252561213963408
Energy: 0.2522729732319883
Energy: 0.25348567666574917
Energy: 0.3025369264789165
Energy: 0.25217231150028946
Energy: 0.30401192056902565
Energy: 0.3059848991280746
Energy: 0.3026499703914971
Energy: 0.3212926669285585
Energy: 0.30497803802088014
Energy: 0.2613995821351792
Energy: 0.31853852707500424
Energy: 0.2541364469474765
Energy: 0.2534660554365429
Energy: 0.2546776627097915
Energy: 0.26391745383059406
Energy: 0.25392582910449085
Energy: 0.3175140063245119
Energy: 0.2584618658093624
Energy: 0.2580530874736444
Energy: 0.3180108490200436
Energy: 0.2591896902000462
Energy: 0.2890494617173069
Energy: 0.3177942839490192
Energy: 0.26555754672839776
Energy: 0.2645927814216942
Energy: 0.31787953783774026
Energy: 0.2587025877695205
Energy: 0.25860198031300663
Energy: 0.36599469031891624
Energy: 0.29670231760430593
Energy: 0.2616774371574009
Energy: 0.2697867991205526
Energy: 0.36081343383923886
Energy: 0.261367767709693
Energy: 0.3030131891592802
Energy: 0.31847531221943975
Energy: 0.2971379467156227
Energy: 0.2615847111613815
Energy: 0.35663843786666655
Energy: 0.26197865258107383
Energy: 0.3225225182952151
Energy: 0.29493076913229377
Energy: 0.2973559681203913
Energy: 0.30144724428724845
Energy: 0.30791168632234606
Energy: 0.2618972854984734
Energy: 0.39669354044666827
Energy: 0.3055568579938367
Energy: 0.2670142251275736
Energy: 0.3129574260497573
Energy: 0.2978524213650179
Energy: 0.2619067607603379
Energy: 0.4262111239540327
Energy: 0.27495676259341
Energy: 0.2742540130672222
Energy: 0.3030759982368815
Energy: 0.26748442920128673
Energy: 0.3153828900700862
Energy: 0.4316204788922071
Energy: 0.2930976876352969
Energy: 0.3234166317778703
Energy: 0.3122777330670699
Energy: 0.33320867553082584
Energy: 0.308033484765175
Energy: 0.30623392018317236
Energy: 0.3137965060935712
Energy: 0.3350894069340546
Energy: 0.26486895234354557
Energy: 0.3137161879363925
Energy: 0.2656513766010743
Energy: 0.3582559844228452
Energy: 0.3137166352861885
Energy: 0.3013125756792233
Energy: 0.2641961542419021
Energy: 0.3131046793786287
Energy: 0.3234781900743609
Energy: 0.42289447314979894
Energy: 0.26395585180760067
Energy: 0.3027326367582149
Energy: 0.3161501489597856
Energy: 0.26113734755198925
Energy: 0.3015459626710728
Energy: 0.36032186030446295
Energy: 0.26116291960883986
Energy: 0.2636922311928491
Energy: 0.3404719426213242
Energy: 0.2615350899582983
Energy: 0.2633351800315871
Energy: 0.36785798409494613
Energy: 0.2660522760089246
Energy: 0.2623573673854835
Energy: 0.3576494199226867
Energy: 0.26552465627523153
Energy: 0.26312217700952606
Energy: 0.3192174136073275
Energy: 0.2679040944068959
Energy: 0.27305515014460907
Energy: 0.25767605732681687
Energy: 0.2672100570975455
Energy: 0.258312277974485
Energy: 0.31789715268507573
Energy: 0.32028042131934276
Energy: 0.29505022257728497
Energy: 0.298963556834683
Energy: 0.31837834160714545
Energy: 0.2898605006570359
Energy: 0.3035355417299187
Energy: 0.2552060160764872
Energy: 0.255095006702556
Energy: 0.25458128954073855
Energy: 0.31805694627139824
Energy: 0.2547039811484155
Energy: 0.30672168859791904
Energy: 0.25288064061255383
Energy: 0.2539444346196939
Energy: 0.3069993038950972
Energy: 0.253342418096997
Energy: 0.25410464530617083
Energy: 0.30532098578209454
Energy: 0.25971174858327756
Energy: 0.2595122937194592
Energy: 0.30562748768520476
Energy: 0.2531380473875076
Energy: 0.2592416956855011
Energy: 0.30974055691506086
Energy: 0.2528709752985947
Energy: 0.2608540862977873
Energy: 0.2528135741434478
Energy: 0.25474290630225355
Energy: 0.2610507022382098
Energy: 0.32065723048176126
Energy: 0.30674634988490823
Energy: 0.3033586179230619
Energy: 0.3818768660327181
Energy: 0.3042686626786875
Energy: 0.30310438796216127
Energy: 0.30205841797500704
Energy: 0.2539361817535253
Energy: 0.26067324574064143
Energy: 0.2548976041002413
Energy: 0.2544990847416224
Energy: 0.25965599785300647
Energy: 0.32105790982204524
Energy: 0.26067672959368454
Energy: 0.2607571711035863
Energy: 0.32018513767745105
Energy: 0.26139620719059464
Energy: 0.26051585864224674
Energy: 0.32080456854383516
Energy: 0.25732206621182363
Energy: 0.25777378156705677
Energy: 0.3211702125785839
Energy: 0.25700142283801114
Energy: 0.2575885490865519
Energy: 0.4158687015702251
Energy: 0.25795440839047135
Energy: 0.25771038692991116
Energy: 0.26207048313277825
Energy: 0.2951515011584172
Energy: 0.25753783357714377
Energy: 0.3066828310081332
Energy: 0.3015151469685163
Energy: 0.2990206849944625
Energy: 0.27360753161245865
Energy: 0.3549516897381477
Energy: 0.31013498984219906
Energy: 0.3022676532660791
Energy: 0.314496463692748
Energy: 0.27443435541362854
Energy: 0.2634053638996782
Energy: 0.3147626699330416
Energy: 0.27507913049113225
Energy: 0.3709052599662396
Energy: 0.30934568443640037
Energy: 0.29554652352665267
Energy: 0.27027927378243555
Energy: 0.30879777298843486
Energy: 0.2668834025804159
Energy: 0.3986468271896899
Energy: 0.2674254050212544
Energy: 0.3073699313229076
Energy: 0.3334052769235971
Energy: 0.2678512631927952
Energy: 0.30689148069578437
Energy: 0.421586899197465
Energy: 0.2766898339637688
Energy: 0.302536640828912
Energy: 0.31135789222586535
Energy: 0.29746536033886345
Energy: 0.30195952680984084
Energy: 0.3501733175615646
Energy: 0.2958700467757364
Energy: 0.2991424563401435
Energy: 0.2644086932877746
Energy: 0.3119690223063518
Energy: 0.32913997599717665

minimum gb energy = 0.25217231150028946 eV
minimum distance =  2.60521282514035 Angstroms
sigma value = 57


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

Energy: 0.2789712903389576
Energy: 0.465513078690863
Energy: 0.2755753860621345
Energy: 0.24736540924822323
Energy: 0.45262859538242417
Energy: 0.27465744896671573
Energy: 0.40529291365531167
Energy: 0.3119842377731123
Energy: 0.29085635483789174
Energy: 0.3115809826211639
Energy: 0.28231848799462983
Energy: 0.2471944760686545
Energy: 0.39401428391283205
Energy: 0.24412977719897078
Energy: 0.24613539474463697
Energy: 0.28729722098476856
Energy: 0.24390386287759164
Energy: 0.24709734084102675
Energy: 0.33856217518041554
Energy: 0.24831131658819564
Energy: 0.24873645396402252
Energy: 0.3393825678814005
Energy: 0.24370198148130345
Energy: 0.2626190080168559
Energy: 0.3427721521850893
Energy: 0.2490043523582951
Energy: 0.250006431478642
Energy: 0.3420795106698484
Energy: 0.2544278688439663
Energy: 0.2475613902362124
Energy: 0.2744452798263717
Energy: 0.24562366430793148
Energy: 0.24103063795772078
Energy: 0.23824719291674254
Energy: 0.31052107147586017
Energy: 0.24153224659062997
Energy: 0.36859405506138226
Energy: 0.30664356725035374
Energy: 0.27770527735429196
Energy: 0.24417043716529777
Energy: 0.30600428911656685
Energy: 0.24348713998981725
Energy: 0.37192289813131485
Energy: 0.2370128394830568
Energy: 0.23880728000280801
Energy: 0.24626869434525375
Energy: 0.23708114993633653
Energy: 0.23709571459523146
Energy: 0.28607951229772716
Energy: 0.24371910139769723
Energy: 0.24712721639124724
Energy: 0.28679696340865485
Energy: 0.35458358394561673
Energy: 0.29146821206405316
Energy: 0.29163040034263144
Energy: 0.24583838745862333
Energy: 0.24583588288931935
Energy: 0.29210966392984
Energy: 0.23871859096263048
Energy: 0.2459057226363758
Energy: 0.2787601301983249
Energy: 0.2842065327249424
Energy: 0.24619762841671605
Energy: 0.23450294153821516
Energy: 0.282336205946564
Energy: 0.23487925957633907
Energy: 0.28682972114142513
Energy: 0.28162513437581405
Energy: 0.2827159556234157
Energy: 0.352192947316879
Energy: 0.2793318178428063
Energy: 0.23952938436754054
Energy: 0.29064665425308944
Energy: 0.2764993046936402
Energy: 0.24119127522924436
Energy: 0.23624799123190507
Energy: 0.23412685683234352
Energy: 0.24165619735352034
Energy: 0.27666190892760284
Energy: 0.2381773705638729
Energy: 0.23711739717982608
Energy: 0.277317039805999
Energy: 0.3512187933494132
Energy: 0.28274972435261914
Energy: 0.28555264408021225
Energy: 0.23513036241027563
Energy: 0.2342645773950691
Energy: 0.2843454235989509
Energy: 0.23565383630595743
Energy: 0.2336984077061238
Energy: 0.32752768461609266
Energy: 0.2914890477022502
Energy: 0.2445239841813578
Energy: 0.24561932869314632
Energy: 0.2916999349527538
Energy: 0.24389909720437475
Energy: 0.2935681258086837
Energy: 0.28965721631276986
Energy: 0.2941967525813247
Energy: 0.3557641833952272
Energy: 0.28966466368327753
Energy: 0.24558492684052557
Energy: 0.3043370853814673
Energy: 0.24949271401173995
Energy: 0.24958189717752505
Energy: 0.29783216231033377
Energy: 0.24987990186253006
Energy: 0.24562435109281475
Energy: 0.3036515390716708
Energy: 0.24090912124254593
Energy: 0.27479693907171776
Energy: 0.30407710736662613
Energy: 0.2410746911134993
Energy: 0.2785575306801336
Energy: 0.38142854817017835
Energy: 0.2513287264950307
Energy: 0.2506105746262542
Energy: 0.2512609188371013
Energy: 0.2408116588795305
Energy: 0.24893803330797049
Energy: 0.38084308193312716
Energy: 0.24949413069019405
Energy: 0.2462373423382143
Energy: 0.25180126250948465
Energy: 0.28027599262805664
Energy: 0.24943233232029227
Energy: 0.3003807770197271
Energy: 0.28584778701728336
Energy: 0.24633538482225606
Energy: 0.24190135439556448
Energy: 0.289956552188927
Energy: 0.2459250025465125
Energy: 0.30942588865229964
Energy: 0.2861738589044866
Energy: 0.28556745376543113
Energy: 0.2833655732355241
Energy: 0.28778458620425
Energy: 0.27953341653064234
Energy: 0.37259248670416245
Energy: 0.25339032349576424
Energy: 0.25235825004753043
Energy: 0.2832778846120199
Energy: 0.25103073508787566
Energy: 0.251645353291481
Energy: 0.3970353806810768
Energy: 0.24673960532845599
Energy: 0.24642929545712844
Energy: 0.2855431756581839
Energy: 0.2471133099369955
Energy: 0.2788653504927812
Energy: 0.4034381661681521
Energy: 0.281315602143163
Energy: 0.2829295958859433
Energy: 0.31697498228884124
Energy: 0.2820368757779074
Energy: 0.27761689648591387
Energy: 0.31478019259910395
Energy: 0.28475770425146024
Energy: 0.24760379630955368
Energy: 0.24573091242328451
Energy: 0.2988405711103228
Energy: 0.24748400524043587

minimum gb energy = 0.2336984077061238 eV
minimum distance =  2.62204358206763 Angstroms
sigma value = 43


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

Energy: 0.2336213493677416
Energy: 0.24369684655512006
Energy: 0.24501695391988054
Energy: 0.21182620789793175
Energy: 0.26954712748718573
Energy: 0.2373485530491875
Energy: 0.31898684419620765
Energy: 0.20333555844496298
Energy: 0.2043177949807031
Energy: 0.2425011995436996
Energy: 0.20722980547765765
Energy: 0.20402441797936366
Energy: 0.3305858380602944
Energy: 0.20543001104906763
Energy: 0.20758853970529498
Energy: 0.24818182075195996
Energy: 0.2057863189687333
Energy: 0.20695761349497885
Energy: 0.29840089200760156
Energy: 0.20710143336017284
Energy: 0.2065992521071729
Energy: 0.2407246620662575
Energy: 0.20810389731365486
Energy: 0.20601342871285871
Energy: 0.27401483064556853
Energy: 0.2126743697127776
Energy: 0.19994922006120835
Energy: 0.23940905768631782
Energy: 0.21052362179238224
Energy: 0.2000132858958699
Energy: 0.22719383163475715
Energy: 0.20330582558950303
Energy: 0.20567015214901727
Energy: 0.2004485917424911
Energy: 0.23480053610923146
Energy: 0.21207538902499784
Energy: 0.29563531124461634
Energy: 0.23788098903592117
Energy: 0.23413054135658487
Energy: 0.20364755924013977
Energy: 0.26467654107708993
Energy: 0.19997148299354836
Energy: 0.31432779812220973
Energy: 0.19838804505903937
Energy: 0.1987602635328041
Energy: 0.21821719406221182
Energy: 0.19875779259438855
Energy: 0.19871293965030518
Energy: 0.24663164457305023
Energy: 0.19899188327799056
Energy: 0.20255843020601652
Energy: 0.2471681911686292
Energy: 0.20133721525197032
Energy: 0.24668681121717323
Energy: 0.24571001642478915
Energy: 0.19856359835009174
Energy: 0.19977682985197748
Energy: 0.24584060621429857
Energy: 0.19786662149978582
Energy: 0.19945541236170386
Energy: 0.2914540561101099
Energy: 0.23542103059537872
Energy: 0.196802362923834
Energy: 0.19667487411857082
Energy: 0.23563569595049438
Energy: 0.19566447081624483
Energy: 0.2481860753052611
Energy: 0.2356122342865418
Energy: 0.23626525726951803
Energy: 0.19924704118065711
Energy: 0.2384855278483883
Energy: 0.19843927750977133
Energy: 0.2475611957244342
Energy: 0.20966833202561772
Energy: 0.2224942237379256
Energy: 0.22032534743872836
Energy: 0.19490443228141396
Energy: 0.19997892566517833
Energy: 0.22912218831993042
Energy: 0.19494945000210462
Energy: 0.23087473877170714
Energy: 0.22965642340400716
Energy: 0.2963121503244991
Energy: 0.22961815616533526
Energy: 0.22890264375512487
Energy: 0.19595510886519207
Energy: 0.19565680367360822
Energy: 0.22895448527826565
Energy: 0.19617730841071304
Energy: 0.19591515975310875
Energy: 0.22998384212552248
Energy: 0.2262242718591286
Energy: 0.19293438143656663
Energy: 0.1934004858898683
Energy: 0.2263387412403587
Energy: 0.19318337586754372
Energy: 0.23123870302323388
Energy: 0.22639497103575942
Energy: 0.22603875937994847
Energy: 0.2957510657513606
Energy: 0.2264091573638005
Energy: 0.19343309216098578
Energy: 0.23790670681453224
Energy: 0.19362289239341807
Energy: 0.1991665846662108
Energy: 0.23796201277544607
Energy: 0.21802270579130892
Energy: 0.19886412525967392
Energy: 0.22602191208804115
Energy: 0.21095207081780004
Energy: 0.22667310634279272
Energy: 0.2268330179861516
Energy: 0.29340226271195097
Energy: 0.22686739252576596
Energy: 0.2958893322670446
Energy: 0.19528250395739075
Energy: 0.1952582252458749
Energy: 0.23920556988925476
Energy: 0.22065597895358113
Energy: 0.19492209689614304
Energy: 0.23687388158519457
Energy: 0.22928384199196894
Energy: 0.22911022742546516
Energy: 0.24667013955332942
Energy: 0.22915089100677707
Energy: 0.19543002078761762
Energy: 0.22876771614318706
Energy: 0.22923592437440973
Energy: 0.21397652277931814
Energy: 0.1934112075063486
Energy: 0.22936122588696184
Energy: 0.19412496655460415
Energy: 0.2352029363056011
Energy: 0.19735224905869772
Energy: 0.1972363985445235
Energy: 0.23512641471170478
Energy: 0.19754056838273118
Energy: 0.1974066421969361
Energy: 0.235151309645786
Energy: 0.19724886278687206
Energy: 0.2364230082554183
Energy: 0.23601478153298497
Energy: 0.19771384772052208
Energy: 0.23618371171819322
Energy: 0.3086710254483843
Energy: 0.21042954927180213
Energy: 0.2120572155582196
Energy: 0.2201365961539761
Energy: 0.19710484851110416
Energy: 0.21505973081544763
Energy: 0.2632231793851131
Energy: 0.24643546093511354
Energy: 0.24634016471310263
Energy: 0.2027846963518445
Energy: 0.24912518828723873
Energy: 0.20000899609150594
Energy: 0.2930759819639234
Energy: 0.24554910489154078
Energy: 0.1987954692513299
Energy: 0.1984286587770898
Energy: 0.24612385731225514
Energy: 0.1981455970984986
Energy: 0.26328418209076704
Energy: 0.2058347290849796
Energy: 0.2012362521233788
Energy: 0.22973569134790878
Energy: 0.19887223647565963
Energy: 0.2004674487630527
Energy: 0.26204792921651354
Energy: 0.20289551658707922
Energy: 0.20404251460137549
Energy: 0.262631860606399
Energy: 0.20273824282486583
Energy: 0.2351689059755962
Energy: 0.3204642561855697
Energy: 0.20184338667617888
Energy: 0.20293140660886064
Energy: 0.2017475911127615
Energy: 0.20218552828339897
Energy: 0.2028288718207194
Energy: 0.32473365671616056
Energy: 0.21372860207761013
Energy: 0.2135378686014272
Energy: 0.21229636491245923
Energy: 0.23947245607704779
Energy: 0.2016884404965401
Energy: 0.22987062934526828
Energy: 0.23735360420225068
Energy: 0.20849513365172426
Energy: 0.20396745629244506
Energy: 0.23798101625628248
Energy: 0.2129170840444613
Energy: 0.2937659844894592
Energy: 0.2369656513299367
Energy: 0.23166963726894133
Energy: 0.23945088397359562
Energy: 0.2393738455151627
Energy: 0.2274962550373867
Energy: 0.3141358089237042
Energy: 0.21247023071052873
Energy: 0.213145448267134
Energy: 0.20139553328023505
Energy: 0.20845069090690127
Energy: 0.24147445174575638
Energy: 0.3306262489913812
Energy: 0.2110728946580864
Energy: 0.21299653899353926
Energy: 0.24199035969203284
Energy: 0.21115574759011274
Energy: 0.21671253518765396
Energy: 0.31905495805289447
Energy: 0.23672263783138334
Energy: 0.22813134813114844
Energy: 0.23640120821380706
Energy: 0.23924249577652867
Energy: 0.2312190442601355

minimum gb energy = 0.19293438143656663 eV
minimum distance =  2.61759521626547 Angstroms
sigma value = 81


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

Energy: 0.15017971504516098
Energy: 0.2564030152564093
Energy: 0.014686381866955572
Energy: 0.01578020355852705
Energy: 0.257035851233339
Energy: 0.1505286785571882
Energy: 0.2892304871614822
Energy: 0.2746288730317459
Energy: 0.254979896293134
Energy: 0.2951163672609864
Energy: 0.25682191304259333
Energy: 0.27150743278679995
Energy: 0.28548178496837695
Energy: 0.014667697275386088
Energy: 0.01469187148901265
Energy: 0.2955351773128271
Energy: 0.014605316325168491
Energy: 0.03182479424398142
Energy: 0.287654954038619
Energy: 0.014719981488163458
Energy: 0.015007662648260547
Energy: 0.2924606980507939
Energy: 0.014620430123049047
Energy: 0.03087569659425587
Energy: 0.030552357103848272
Energy: 0.2853220354741555
Energy: 0.3059812201637868
Energy: 0.030996976235355383
Energy: 0.2849198577901574
Energy: 0.2842478181772941
Energy: 0.014948641194608916
Energy: 0.290784203741693
Energy: 0.014960085322379961
Energy: 0.015914213741126577
Energy: 0.29042820071278386
Energy: 0.014730351037303697
Energy: 0.3031530956636114
Energy: 0.28478976111110244
Energy: 0.2730613162538299
Energy: 0.30648379488273836
Energy: 0.2758681261087808
Energy: 0.26904528425864027
Energy: 0.30187582167003196
Energy: 0.014650341013082548
Energy: 0.01468136062167058
Energy: 0.3068234033682192
Energy: 0.014582829755548397
Energy: 0.01494301501323589
Energy: 0.2727202181560898
Energy: 0.014698239694900753
Energy: 0.031209275091450016
Energy: 0.28157435768024736
Energy: 0.014756156326907488
Energy: 0.03149922329258232
Energy: 0.15075407322125703
Energy: 0.2850314882614504
Energy: 0.26512209653547353
Energy: 0.014891631724726127
Energy: 0.2679770320074372
Energy: 0.2896563121286809

minimum gb energy = 0.014582829755548397 eV
minimum distance =  2.65933256475163 Angstroms
sigma value = 3


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

Energy: 0.2601586382447151
Energy: 0.2591336088170642
Energy: 0.2638250886669811
Energy: 0.24280113724885732
Energy: 0.25885859355901286
Energy: 0.2476701307059854
Energy: 0.2704886650721939
Energy: 0.2599337607124882
Energy: 0.2599960605003324
Energy: 0.2582956827575399
Energy: 0.25873773030715513
Energy: 0.2588423702057105
Energy: 0.28005594115563087
Energy: 0.24344145619461388
Energy: 0.2434244586064316
Energy: 0.2588845778073458
Energy: 0.24363487822224253
Energy: 0.2541503464336924
Energy: 0.26231658990390794
Energy: 0.2434318120457621
Energy: 0.24344697908109014
Energy: 0.26210868768663953
Energy: 0.24524039430741232
Energy: 0.25490703134192405
Energy: 0.2506480432921816
Energy: 0.26236432387673686
Energy: 0.2588846734011013
Energy: 0.2505893493261595
Energy: 0.2597833506143272
Energy: 0.25859984990503343
Energy: 0.23774560212359655
Energy: 0.2541228835670928
Energy: 0.24866755305576183
Energy: 0.23713786598619616
Energy: 0.2538830950939636
Energy: 0.2372000359013209
Energy: 0.26295121515269126
Energy: 0.2555091322446135
Energy: 0.25049802973589835
Energy: 0.26313250791083764
Energy: 0.252154630813478
Energy: 0.2566644311628124
Energy: 0.2590355086826526
Energy: 0.2403931069765855
Energy: 0.24026856225721088
Energy: 0.25381862425461
Energy: 0.2307557350639268
Energy: 0.2405203155259605
Energy: 0.2496444141438865
Energy: 0.2407499684049335
Energy: 0.2535330492070048
Energy: 0.2530365567976024
Energy: 0.2427675382287661
Energy: 0.25429399364828914
Energy: 0.2500951911301626
Energy: 0.24598310214648852
Energy: 0.24325284210048972
Energy: 0.25018454973312826
Energy: 0.24479862389008103
Energy: 0.24218281711168424
Energy: 0.23450179165633983
Energy: 0.2439013427523521
Energy: 0.24403010440850084
Energy: 0.23377223583553086
Energy: 0.24041911565635876
Energy: 0.23381091205626217
Energy: 0.23505940451726942
Energy: 0.24555539144119123
Energy: 0.24605276281753025
Energy: 0.2352204748079661
Energy: 0.24295181991989426
Energy: 0.22934294560508223
Energy: 0.23033783625897966
Energy: 0.2301153119302431
Energy: 0.23626715218816882
Energy: 0.23007940278997438
Energy: 0.22996260831353849
Energy: 0.23689201869088863
Energy: 0.2352051605683346
Energy: 0.2713509888885871
Energy: 0.23810867132969946
Energy: 0.23819070361205366
Energy: 0.23995092093497308
Energy: 0.2380084772132627
Energy: 0.23332801135125844
Energy: 0.22284900653880757
Energy: 0.22030274962685772
Energy: 0.23394288139398683
Energy: 0.22309610274804612
Energy: 0.22019009322861197
Energy: 0.23104114897774647
Energy: 0.23520453063158528
Energy: 0.23445441481198262
Energy: 0.23264190111543945
Energy: 0.22919425897579296
Energy: 0.2349600852793618
Energy: 0.21720449861252666
Energy: 0.23352537338266802
Energy: 0.2339213542406202
Energy: 0.2174965993974065
Energy: 0.23499193716997488
Energy: 0.2154910575514805
Energy: 0.21577286320331612
Energy: 0.23057792764842622
Energy: 0.23263980216288177
Energy: 0.21581836325545575
Energy: 0.2304870951241627
Energy: 0.23364265194086897
Energy: 0.22740156236653145
Energy: 0.2307995439422057
Energy: 0.23135238438753003
Energy: 0.23045652800264566
Energy: 0.22947689595839207
Energy: 0.2324305061270612
Energy: 0.22941599679415203
Energy: 0.21690694054863013
Energy: 0.21586405416851018
Energy: 0.2299867048115653
Energy: 0.2181714205573904
Energy: 0.21567027955870274
Energy: 0.2296766645399271
Energy: 0.23620557962094457
Energy: 0.23460697238971656
Energy: 0.2303317893066964
Energy: 0.23294148022144423
Energy: 0.23357877020968779
Energy: 0.22442268564452797
Energy: 0.23634580331241214
Energy: 0.2348256828846476
Energy: 0.22363486148907213
Energy: 0.23608796851881408
Energy: 0.21984236674112442
Energy: 0.22108605199017584
Energy: 0.23842377048344623
Energy: 0.23835661888929383
Energy: 0.22104659907943355
Energy: 0.23868578878883628
Energy: 0.23666119425093293
Energy: 0.2325559996359531
Energy: 0.22942727376914757
Energy: 0.23590871229729626
Energy: 0.23165595689948804
Energy: 0.2296038757530452
Energy: 0.23172558412730465
Energy: 0.23982810357122036
Energy: 0.22980481790876367
Energy: 0.22954519549037267
Energy: 0.24026635636586388
Energy: 0.23399335069771843
Energy: 0.22941497326755161
Energy: 0.23907148306308776
Energy: 0.2382985499450453
Energy: 0.2384394394559985
Energy: 0.23960802090760808
Energy: 0.22963979024035885
Energy: 0.2445852287201324
Energy: 0.24499427682383398
Energy: 0.23836609072883672
Energy: 0.24066233612403912
Energy: 0.24489242756438498
Energy: 0.24041118022618585
Energy: 0.24339096338331848
Energy: 0.23487590435914263
Energy: 0.2571686794785983
Energy: 0.25483204170926976
Energy: 0.23493543378464748
Energy: 0.2519651981722841
Energy: 0.25421031044664266
Energy: 0.23564460020954645
Energy: 0.25103477558212695
Energy: 0.24752572632413367
Energy: 0.23533122275263105
Energy: 0.25431035064610163
Energy: 0.23574172738011576
Energy: 0.25345619175364525
Energy: 0.25975758257055054
Energy: 0.2548207871070941
Energy: 0.2536197443243357
Energy: 0.2620967649495183
Energy: 0.25331730172083833
Energy: 0.2545495590543589
Energy: 0.24218732721818934
Energy: 0.24232490710838006
Energy: 0.25431503112494036
Energy: 0.23146272186361608
Energy: 0.24231963927041336
Energy: 0.2724915383244509
Energy: 0.24252396617433472
Energy: 0.25603171550972986
Energy: 0.25971056758340594
Energy: 0.24458459924976864
Energy: 0.258341922141079
Energy: 0.24767962813790342
Energy: 0.25713562458745254
Energy: 0.259002747173545
Energy: 0.24773384674797672
Energy: 0.2630064611418383
Energy: 0.2539928958810268

minimum gb energy = 0.2154910575514805 eV
minimum distance =  2.58693764845609 Angstroms
sigma value = 67


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

Energy: 0.31650138037828934
Energy: 0.3876869653664035
Energy: 0.3201853439227154
Energy: 0.3112544135386814
Energy: 0.3886672571733602
Energy: 0.3210792888246026
Energy: 0.33887925249932244
Energy: 0.3271441862665238
Energy: 0.320361355692679
Energy: 0.3265000769899244
Energy: 0.32664662425709995
Energy: 0.32191190508821077
Energy: 0.3427968758547072
Energy: 0.31154755943663864
Energy: 0.31400093451977645
Energy: 0.3261380295999175
Energy: 0.3044367604807182
Energy: 0.31922997302232153
Energy: 0.3309158982827651
Energy: 0.31281982237203426
Energy: 0.32046067996522765
Energy: 0.3305798167377421
Energy: 0.31438579354698015
Energy: 0.3194864562899555
Energy: 0.3270727424510426
Energy: 0.3189287200189987
Energy: 0.3200702525017852
Energy: 0.32670204653268625
Energy: 0.32620814394874165
Energy: 0.322211174872812
Energy: 0.2953552206645976
Energy: 0.3097969649936222
Energy: 0.3061288425006936
Energy: 0.3061374546454184
Energy: 0.3096991585615223
Energy: 0.306203408340094
Energy: 0.32095468091290796
Energy: 0.32037330530095015
Energy: 0.3200224863552515
Energy: 0.32079798686704014
Energy: 0.31505888246249875
Energy: 0.3110990621333901
Energy: 0.32025048032258957
Energy: 0.3021422324909263
Energy: 0.3008478096958112
Energy: 0.3206538685807027
Energy: 0.29752305595977385
Energy: 0.3115488616441213
Energy: 0.30047388321038715
Energy: 0.315191373206277
Energy: 0.3125962226639108
Energy: 0.30679679798687554
Energy: 0.30750368513587395
Energy: 0.31087543852024374
Energy: 0.3003397966576131
Energy: 0.2994238956946564
Energy: 0.30173216974236317
Energy: 0.3008513108329355
Energy: 0.29765781521338364
Energy: 0.30086200771477556
Energy: 0.29834840374859545
Energy: 0.3004396527303696
Energy: 0.3000882709768722
Energy: 0.2980473573841517
Energy: 0.29381607974728424
Energy: 0.3008375492560502
Energy: 0.28828196946567863
Energy: 0.30143769258185976
Energy: 0.30127314017989976
Energy: 0.28883945760972823
Energy: 0.3025692045155775
Energy: 0.2851217342494129
Energy: 0.28888728034971717
Energy: 0.29758603027798197
Energy: 0.2966076014813697
Energy: 0.28924401927653953
Energy: 0.29935566256562257
Energy: 0.2938773523622898
Energy: 0.2948991706641003
Energy: 0.29678604962137584
Energy: 0.29766305806581417
Energy: 0.2982486766689743
Energy: 0.2930527201453244
Energy: 0.2979344321503071
Energy: 0.2934899743224129
Energy: 0.28786807748111753
Energy: 0.28931126021819065
Energy: 0.2941348583989333
Energy: 0.28642465337037437
Energy: 0.29095355033037
Energy: 0.2928093372186042
Energy: 0.30234629076822844
Energy: 0.3013486959659172
Energy: 0.30061587793187583
Energy: 0.3004339811311752
Energy: 0.3001253531062553
Energy: 0.3008610960835355
Energy: 0.29666450113694004
Energy: 0.29485363027100414
Energy: 0.3012446097413284
Energy: 0.2986010684955699
Energy: 0.29840421605137524
Energy: 0.3009633176997822
Energy: 0.31104720743209413
Energy: 0.31195245101633823
Energy: 0.30130105290854037
Energy: 0.3061028191209349
Energy: 0.309552457307167
Energy: 0.28938602828859306
Energy: 0.2979959824472108
Energy: 0.30660812854404385
Energy: 0.30119433671389323
Energy: 0.3027796948987044
Energy: 0.30734284546290924
Energy: 0.3122380262103818
Energy: 0.31197042351043514
Energy: 0.31402065487323005
Energy: 0.31232886736888477
Energy: 0.3194669125382227
Energy: 0.312016467284643
Energy: 0.3188075214770382
Energy: 0.31193766624599684
Energy: 0.3179674693421652
Energy: 0.31907173341242356
Energy: 0.3075291728277084
Energy: 0.31640641484090254
Energy: 0.3429398476451403
Energy: 0.3053612535027221
Energy: 0.3185163861825348
Energy: 0.31617101523855773
Energy: 0.298048792244273
Energy: 0.31674992182525674
Energy: 0.33552560440455675
Energy: 0.31675910817719605
Energy: 0.3194803168960876
Energy: 0.33479739464516783
Energy: 0.3266400939630341
Energy: 0.3219994501716595

minimum gb energy = 0.2851217342494129 eV
minimum distance =  2.59682450788571 Angstroms
sigma value = 33


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

Energy: 0.37788771475182165
Energy: 0.38399134619227493
Energy: 0.37351698101198283
Energy: 0.3594316223572203
Energy: 0.434914683846461
Energy: 0.35926027059651605
Energy: 0.3915075695030564
Energy: 0.3586441771799425
Energy: 0.3593679860734102
Energy: 0.36455009086365364
Energy: 0.37097851348618366
Energy: 0.35898638840928454
Energy: 0.38925158867249005
Energy: 0.35209582716214427
Energy: 0.3520509842648172
Energy: 0.3660792483410964
Energy: 0.35242019090653476
Energy: 0.3518219803928337
Energy: 0.3704999858662516
Energy: 0.3519315839236052
Energy: 0.3520935834289048
Energy: 0.3681321398358816
Energy: 0.36305547947169364
Energy: 0.35224712300427774
Energy: 0.3692891330054429
Energy: 0.3593967719916309
Energy: 0.36148079062016214
Energy: 0.36715002633105104
Energy: 0.36781070497734075
Energy: 0.35796235245664904
Energy: 0.3476623626771841
Energy: 0.351004134310633
Energy: 0.35611837859783685
Energy: 0.34403025049818087
Energy: 0.35097404815457817
Energy: 0.3441606757884889
Energy: 0.3527077150465158
Energy: 0.3601837284549946
Energy: 0.3612173499587637
Energy: 0.3511520820384762
Energy: 0.360472853414645
Energy: 0.34530359765458635
Energy: 0.3526250158918706
Energy: 0.3465296845405103
Energy: 0.3463166347652636
Energy: 0.35213595588146
Energy: 0.3463923051382671
Energy: 0.34494375184924986
Energy: 0.33960424638049125
Energy: 0.34960369682682346
Energy: 0.34773865297825524
Energy: 0.34235237668594465
Energy: 0.3560403369604161
Energy: 0.34630975983875095
Energy: 0.33920004804816634
Energy: 0.3327790852465771
Energy: 0.33068955080638607
Energy: 0.3392704534392086
Energy: 0.3318496477688991
Energy: 0.33029719783332545
Energy: 0.33788796031227153
Energy: 0.34388250238407925
Energy: 0.3422386914766641
Energy: 0.34088305080640247
Energy: 0.33855407192132564
Energy: 0.3419130458901005
Energy: 0.3303084114110926
Energy: 0.34285052825913653
Energy: 0.3424352369688981
Energy: 0.33038577871100994
Energy: 0.3410050613380641
Energy: 0.3310090285961764
Energy: 0.3313466322610214
Energy: 0.3462634735746101
Energy: 0.3472674925667408
Energy: 0.3316203746707716
Energy: 0.34697651953309366
Energy: 0.33132720230909835
Energy: 0.3401089257094678
Energy: 0.3462086633538755
Energy: 0.34611338371551775
Energy: 0.3395047024815554
Energy: 0.3403744692582094
Energy: 0.34262052378788566
Energy: 0.34299144648686947
Energy: 0.34449377913653306
Energy: 0.3475301948576935
Energy: 0.3434072425440928
Energy: 0.35298929557618736
Energy: 0.3487491254637424
Energy: 0.35391245232479135
Energy: 0.3496506219641963
Energy: 0.35356933263789087
Energy: 0.3544772402935424
Energy: 0.36409393314835575
Energy: 0.3589510107615943
Energy: 0.3880389272457528
Energy: 0.34954880408114775
Energy: 0.34955839699366914
Energy: 0.3654537056042366
Energy: 0.34973457393293894
Energy: 0.3494601342727393
Energy: 0.3962742528198144
Energy: 0.3662731513116541
Energy: 0.36030820634944005
Energy: 0.36494716642063985
Energy: 0.3688520979759903
Energy: 0.3572588536773533
Energy: 0.35087174510710184
Energy: 0.3552476486237809
Energy: 0.3570947803006279
Energy: 0.3480357619892654
Energy: 0.36526144075174505
Energy: 0.3476705845334643
Energy: 0.36582725043937264
Energy: 0.35862251963709324
Energy: 0.35877605050331274
Energy: 0.3640758969888461
Energy: 0.37087709104599226
Energy: 0.36326768157572054
Energy: 0.3871468453762229
Energy: 0.35217839839747955
Energy: 0.352207389415595
Energy: 0.3664335363911282
Energy: 0.3548810104649704
Energy: 0.35286362091528534
Energy: 0.3680469271526686
Energy: 0.35201827745293834
Energy: 0.35197193912195207
Energy: 0.35874095929427746
Energy: 0.3525569199089947
Energy: 0.3519802045847907
Energy: 0.367447374469219
Energy: 0.3595057544732942
Energy: 0.36244570030056766
Energy: 0.36677130073382586
Energy: 0.3709134000991639
Energy: 0.35839845712543206
Energy: 0.3474205911691521
Energy: 0.3509208966072549
Energy: 0.3557417844648618
Energy: 0.3443663578857161
Energy: 0.3506029218203044
Energy: 0.3443790075245655
Energy: 0.3522433209387408
Energy: 0.36072600646873265
Energy: 0.35818575221390586
Energy: 0.3508369898441988
Energy: 0.3595560604489867
Energy: 0.35776060836290663
Energy: 0.3562228544764294
Energy: 0.3465529961289579
Energy: 0.34652520434175543
Energy: 0.3516782938723536
Energy: 0.34639722671319734
Energy: 0.3452269850096883
Energy: 0.3400169813881676
Energy: 0.34943099442207154
Energy: 0.34776028192740444
Energy: 0.3391387747938213
Energy: 0.35446670972164374
Energy: 0.34645825347475384
Energy: 0.3401623810780633
Energy: 0.333000871701937
Energy: 0.33077557720169093
Energy: 0.33958286184128117
Energy: 0.33210457854029873
Energy: 0.3304235884983779
Energy: 0.3376223945526515
Energy: 0.3451415525962922
Energy: 0.3429761176337837
Energy: 0.34081272431693954
Energy: 0.33923403991794515
Energy: 0.3429521104504556
Energy: 0.3301489670091624
Energy: 0.33953462126431977
Energy: 0.33933983898418435
Energy: 0.33015976644142825
Energy: 0.33718013560842997
Energy: 0.3396316638293639
Energy: 0.3324402398893322
Energy: 0.34650480828411423
Energy: 0.3426074291806964
Energy: 0.3326978315560706
Energy: 0.34241304172210746
Energy: 0.3307811547776495
Energy: 0.34005417124454423
Energy: 0.34815122035086765
Energy: 0.34782497926331096
Energy: 0.33942273149026086
Energy: 0.33958478844558954
Energy: 0.34166626927899385
Energy: 0.34341026644245926
Energy: 0.34462919090699445
Energy: 0.34690673976798714
Energy: 0.3430645584474338
Energy: 0.35305709919517325
Energy: 0.3460694814067773
Energy: 0.3551078993139067
Energy: 0.35003683602904423
Energy: 0.358588838588191
Energy: 0.3553648827605018
Energy: 0.3486363262257485
Energy: 0.359055905771434
Energy: 0.3884966985268247
Energy: 0.3495029544924207
Energy: 0.34938932932961775
Energy: 0.36585568995311063
Energy: 0.3347544317900361
Energy: 0.3494983847917966
Energy: 0.39489074634650695
Energy: 0.3668267339499979
Energy: 0.3607268819380637
Energy: 0.36686875265932306
Energy: 0.3670191142644583
Energy: 0.3617086740773842
Energy: 0.3506485468564344
Energy: 0.3561513500499404
Energy: 0.3575587648762391
Energy: 0.3479707737950047
Energy: 0.35670726487986465
Energy: 0.3474598864866086

minimum gb energy = 0.3301489670091624 eV
minimum distance =  2.61109689201727 Angstroms
sigma value = 41


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

Energy: 0.43708611941217923
Energy: 0.43493339491852506
Energy: 0.4418467826913385
Energy: 0.4179271831995909
Energy: 0.4343564246235836
Energy: 0.44401211234088234
Energy: 0.45649702756325283
Energy: 0.4252718609758524
Energy: 0.4264436122357861
Energy: 0.4272074311386066
Energy: 0.4239254451648858
Energy: 0.4181608559832307
Energy: 0.45861605727614635
Energy: 0.41431019870363084
Energy: 0.4145601917238432
Energy: 0.42689577829692965
Energy: 0.41416403140497027
Energy: 0.4148343018813847
Energy: 0.4243742867761034
Energy: 0.4144733958361368
Energy: 0.41577582855024814
Energy: 0.4245536377295165
Energy: 0.4151943644466341
Energy: 0.4157997456590071
Energy: 0.4335902134113429
Energy: 0.4245488269397647
Energy: 0.41717579218409057
Energy: 0.4344999153199284
Energy: 0.4241029607675428
Energy: 0.41846906670186296
Energy: 0.4103833931654898
Energy: 0.41358760283751844
Energy: 0.4173587635395289
Energy: 0.40758325777832727
Energy: 0.4141448448334946
Energy: 0.41749215385176697
Energy: 0.4099214173578353
Energy: 0.41894216916270544
Energy: 0.4194274768217367
Energy: 0.40964124221027637
Energy: 0.4189046485660507
Energy: 0.4056066740973137
Energy: 0.41140732052135137
Energy: 0.4117980979957518
Energy: 0.4052564583013688
Energy: 0.41210692063070187
Energy: 0.41054470602817883
Energy: 0.405065755597787
Energy: 0.4022285028741855
Energy: 0.41025437002980836
Energy: 0.4089444724842642
Energy: 0.4026341864468791
Energy: 0.41422943922228955
Energy: 0.40874787053166806
Energy: 0.41292382123878596
Energy: 0.41123336563965235
Energy: 0.4049131413188308
Energy: 0.4143574746173465
Energy: 0.40999243349869413
Energy: 0.40584590362387307
Energy: 0.41144035806085094
Energy: 0.415375620184561
Energy: 0.42165330884041413
Energy: 0.41654395646310416
Energy: 0.4260648744648831
Energy: 0.41818428000395624
Energy: 0.45711655639095095
Energy: 0.40731971552050233
Energy: 0.40736866464380744
Energy: 0.42655970193219317
Energy: 0.40709933119000713
Energy: 0.4070368050443136
Energy: 0.4578767724249781
Energy: 0.42698722116214144
Energy: 0.41892879915573583
Energy: 0.42452442431081117
Energy: 0.42558937807291997
Energy: 0.41857407884876113
Energy: 0.415841791118503
Energy: 0.42595038582180955
Energy: 0.41868806557215776
Energy: 0.4061912327540913
Energy: 0.4263367518126899
Energy: 0.4184796731490189

minimum gb energy = 0.4022285028741855 eV
minimum distance =  2.57887380334507 Angstroms
sigma value = 11


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

Energy: 0.6896466932138784
Energy: 0.4716523906672228
Energy: 0.4562393064791696
Energy: 0.49810392501424233
Energy: 0.484380458653456
Energy: 0.49081657385325883
Energy: 0.5283690101179549
Energy: 0.45478850182033276
Energy: 0.45572294425354226
Energy: 0.4628168553564839
Energy: 0.45932052186246575
Energy: 0.4595684527061264
Energy: 0.5305594031112385
Energy: 0.46036712060924495
Energy: 0.4604017484193639
Energy: 0.46947003217762107
Energy: 0.4577138880235882
Energy: 0.46101706770122736
Energy: 0.46321020540381647
Energy: 0.4598921499234938
Energy: 0.46118304090875545
Energy: 0.46573172058152235
Energy: 0.4585793267317685
Energy: 0.4596591751992558
Energy: 0.46390448922924665
Energy: 0.4626288951203538
Energy: 0.4627861663264333
Energy: 0.47153388347936537
Energy: 0.46257766064170913
Energy: 0.46022894160229155
Energy: 0.46304034742686434
Energy: 0.4573804634282239
Energy: 0.45825423926211645
Energy: 0.46202210557822543
Energy: 0.46789827808444034
Energy: 0.45742842706657816
Energy: 0.4728099835816103
Energy: 0.4570510154649158
Energy: 0.4572184814710622
Energy: 0.46772766452945724
Energy: 0.45422720762708413
Energy: 0.45676517529122784
Energy: 0.46893288101078473
Energy: 0.4684263713713221
Energy: 0.4619866594600616
Energy: 0.4602058793712764
Energy: 0.4717508888526737
Energy: 0.46010306157857855
Energy: 0.4516863162278391
Energy: 0.46304268295795353
Energy: 0.4609510745625624
Energy: 0.45544252677998137
Energy: 0.4694407131568938
Energy: 0.46213466984699725
Energy: 0.46296673834387997
Energy: 0.4627218451034843
Energy: 0.4610174272839495
Energy: 0.4637945740821274
Energy: 0.46918024707366307
Energy: 0.4620462765480893
Energy: 0.47462866772949647
Energy: 0.4685833644447561
Energy: 0.4697210068115896
Energy: 0.4613706397650608
Energy: 0.45800066448075344
Energy: 0.4551022546516386
Energy: 0.46046259696670616
Energy: 0.45273749861711166
Energy: 0.4584627282686844
Energy: 0.4608050542393541
Energy: 0.4440892203826618
Energy: 0.4597712009724286
Energy: 0.459520457218471
Energy: 0.4632007345887226
Energy: 0.46021824602287964
Energy: 0.4595845361264466
Energy: 0.46480591854872316
Energy: 0.46168661368603786
Energy: 0.4536321432215041
Energy: 0.4636865453536175
Energy: 0.4604615571113874
Energy: 0.45585539741655046
Energy: 0.4856742861568383
Energy: 0.46003789700108866
Energy: 0.47261426872933815
Energy: 0.4573078048021511
Energy: 0.4578140863247491
Energy: 0.45788477804014033
Energy: 0.46599171715732807
Energy: 0.45851960277524767
Energy: 0.46419860875404473
Energy: 0.458278547211815
Energy: 0.4587608914029814
Energy: 0.4646983943030046
Energy: 0.46065648943954574
Energy: 0.46046137316676433
Energy: 0.4606202728061051
Energy: 0.4577163607634289
Energy: 0.45894866095138187
Energy: 0.4583405054530596
Energy: 0.45975922263760277
Energy: 0.449991325854547
Energy: 0.45431529759818085
Energy: 0.4722342227826681
Energy: 0.4758681007992378
Energy: 0.465202482831688
Energy: 0.47366465455149365
Energy: 0.4431794535666429
Energy: 0.46314350594409315
Energy: 0.4548748698363268
Energy: 0.45840320029374115
Energy: 0.4629608105992534
Energy: 0.45444072077028597
Energy: 0.45893693899063354
Energy: 0.4547950772841845
Energy: 0.46274114446166686
Energy: 0.461723705372106
Energy: 0.4571677826796896
Energy: 0.45871926332534374
Energy: 0.45774833038863694
Energy: 0.49475928089237586
Energy: 0.46082294740460794
Energy: 0.4561029432002289
Energy: 0.4544362868302207
Energy: 0.4607862517572755
Energy: 0.45675708804595166
Energy: 0.4863110662208339
Energy: 0.4565027093416394
Energy: 0.4545617787480694
Energy: 0.476025143526026
Energy: 0.45504717960403573
Energy: 0.45499396422678645
Energy: 0.4671828411483376
Energy: 0.45813895468498766
Energy: 0.4593452654306696
Energy: 0.4502008419618313
Energy: 0.45728906177169504
Energy: 0.4593435480125096
Energy: 0.4937404570076737
Energy: 0.46516215374118347
Energy: 0.463631055196699
Energy: 0.4540366684380248
Energy: 0.4634971463516437
Energy: 0.460221111226944
Energy: 0.4769797545433339
Energy: 0.46306018966380846
Energy: 0.4505706923441308
Energy: 0.47994006675783685
Energy: 0.4614527389105723
Energy: 0.4503207660121004
Energy: 0.46971863233920086
Energy: 0.451163002275386
Energy: 0.4597800606342578
Energy: 0.45802855029795886
Energy: 0.46122879126928706
Energy: 0.458731459963627
Energy: 0.46942057472692245
Energy: 0.46666912216851486
Energy: 0.4628348471821929
Energy: 0.4569120970026447
Energy: 0.46443247429164564
Energy: 0.4591603517730112
Energy: 0.4686592220107443
Energy: 0.448996155299027
Energy: 0.4591292665971859
Energy: 0.46555477327579725
Energy: 0.4535561717010114
Energy: 0.4579841871949969
Energy: 0.4884180016868124
Energy: 0.45628692115123537
Energy: 0.45987980702481124
Energy: 0.47420684782383016
Energy: 0.4581084183024306
Energy: 0.4581913201480055
Energy: 0.5288404478451186
Energy: 0.45738900946136557
Energy: 0.46097253941593475
Energy: 0.4644383573259499
Energy: 0.46261647044352877
Energy: 0.4593015541673305
Energy: 0.4627797645482585
Energy: 0.45988941218191387
Energy: 0.4537731645705082
Energy: 0.44139588418275927
Energy: 0.45941028293536806
Energy: 0.45521395369006346

minimum gb energy = 0.44139588418275927 eV
minimum distance =  2.55308417973802 Angstroms
sigma value = 57


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

Energy: 0.6408115429654001
Energy: 0.6719835555715605
Energy: 0.5076532908771995
Energy: 0.5076081618013223
Energy: 0.6709297870550472
Energy: 0.5084364961858967
Energy: 0.51715263874397
Energy: 0.491015991167708
Energy: 0.49177713218245395
Energy: 0.49125663393137275
Energy: 0.49077827297815135
Energy: 0.4911340912770094
Energy: 0.5013735539350122
Energy: 0.49252266601386224
Energy: 0.4930388187529697
Energy: 0.49322221617830264
Energy: 0.4931872285858995
Energy: 0.49361212760817375
Energy: 0.48630813525704786
Energy: 0.4914872418322
Energy: 0.49136692766377305
Energy: 0.49290169771965936
Energy: 0.4862931829833942
Energy: 0.4904300128866953
Energy: 0.4998663525596264
Energy: 0.49250402564729984
Energy: 0.4941649543065688
Energy: 0.501870012478929
Energy: 0.4926531625463977
Energy: 0.4946566011708931
Energy: 0.48740106513258297
Energy: 0.5010184178581403
Energy: 0.49798702383421095
Energy: 0.4968128290258981
Energy: 0.5001785480670745
Energy: 0.49704387873398
Energy: 0.4996030714473641
Energy: 0.48699923156057845
Energy: 0.49023318392761905
Energy: 0.49864857015579084
Energy: 0.4863824913373194
Energy: 0.49866962979824936
Energy: 0.5198629631749432
Energy: 0.490541848125381
Energy: 0.49072849823605075
Energy: 0.48978464217405704
Energy: 0.4972534590154384
Energy: 0.49173317321669235
Energy: 0.48263165455044377
Energy: 0.49307736542736363
Energy: 0.4987034686753036
Energy: 0.4841823792250337
Energy: 0.49237508620963377
Energy: 0.4992602481505168
Energy: 0.4825241885557045
Energy: 0.49283943207032255
Energy: 0.49846038024175227
Energy: 0.4906414572806869
Energy: 0.4930396405156858
Energy: 0.4990321912044189
Energy: 0.5205956999886524
Energy: 0.4908494132736022
Energy: 0.4912414487228839
Energy: 0.4905772772669092
Energy: 0.4908730531845472
Energy: 0.4909574020595273
Energy: 0.49524930359470737
Energy: 0.4933173630194935
Energy: 0.4936842879018759
Energy: 0.49373193009630395
Energy: 0.49344098521371077
Energy: 0.49421085482837945
Energy: 0.49029584426647993
Energy: 0.49266719614556853
Energy: 0.4917067165183104
Energy: 0.4914289873914106
Energy: 0.4912131677627485
Energy: 0.4906827663983975
Energy: 0.48681006606992794
Energy: 0.49366043207755717
Energy: 0.4931293442799496
Energy: 0.4960401388991211
Energy: 0.5005816668774511
Energy: 0.4936871677560727
Energy: 0.4974008160852853
Energy: 0.4883667467491079
Energy: 0.49363415597157306
Energy: 0.5073751516186645
Energy: 0.48387918339689645
Energy: 0.49464946166800183
Energy: 0.49997967595517356
Energy: 0.4866265249849223
Energy: 0.48853275844957006
Energy: 0.4933401496283022
Energy: 0.48438633063563274
Energy: 0.4938670372309417
Energy: 0.482321742133465
Energy: 0.4908969122892683
Energy: 0.49263943683196837
Energy: 0.4823988933014192
Energy: 0.4897554119317429
Energy: 0.4917441549569644

minimum gb energy = 0.482321742133465 eV
minimum distance =  2.57178801933795 Angstroms
sigma value = 9


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

Energy: 0.5580701294516146
Energy: 0.7303873302327912
Energy: 0.5263090992634272
Energy: 0.5161048212125371
Energy: 0.7294914424780743
Energy: 0.525989717396178
Energy: 0.5788187353008954
Energy: 0.4903909954401037
Energy: 0.49149536907173175
Energy: 0.5051336203106713
Energy: 0.489845118801114
Energy: 0.4918307998540714
Energy: 0.5038952538128498
Energy: 0.4915943379662454
Energy: 0.5043999292954099
Energy: 0.47822748279029514
Energy: 0.49468640431528876
Energy: 0.5081028661763247
Energy: 0.5056666707603618
Energy: 0.4978921858851299
Energy: 0.4973380851858754
Energy: 0.5164920255373245
Energy: 0.4917631171772272
Energy: 0.4930024086179197
Energy: 0.5200264583939082
Energy: 0.4752951103381714
Energy: 0.4770182365162086
Energy: 0.5018357497164454
Energy: 0.47442569548276414
Energy: 0.47914211216618074
Energy: 0.49279463960798325
Energy: 0.48897840589187846
Energy: 0.4881297487293323
Energy: 0.49228547957258695
Energy: 0.4898614103596569
Energy: 0.48819886829375597
Energy: 0.48683513104837106
Energy: 0.5135167561218218
Energy: 0.5001241379751714
Energy: 0.4718993944336235
Energy: 0.5121102290090104
Energy: 0.4970336970136974
Energy: 0.5290306745735774
Energy: 0.4955971756517872
Energy: 0.4893138322444598
Energy: 0.49544548508389286
Energy: 0.4954438401048211
Energy: 0.4939809281210701
Energy: 0.5309143365857456
Energy: 0.502633729977639
Energy: 0.48168408674277263
Energy: 0.5017014396670936
Energy: 0.49181433149773085
Energy: 0.4929955777703053
Energy: 0.5313942196735587
Energy: 0.47484388212577666
Energy: 0.48156014750885795
Energy: 0.5012899786899355
Energy: 0.48901879965501044
Energy: 0.4798271579727344
Energy: 0.5128308869728209
Energy: 0.48087952806793327
Energy: 0.48051779408171114
Energy: 0.49628281807436153
Energy: 0.5053699773419518
Energy: 0.4807413253062264
Energy: 0.5139237183342884
Energy: 0.4940178105935699
Energy: 0.4923301225107639
Energy: 0.4892312714259383
Energy: 0.5027570915215697
Energy: 0.4912443455394789
Energy: 0.5226125291662026
Energy: 0.481670999240664
Energy: 0.5012808579266531
Energy: 0.5019321271966803
Energy: 0.4947100637361917
Energy: 0.5210131843368048
Energy: 0.5513119420025026
Energy: 0.5125114059923492
Energy: 0.49331940486975684
Energy: 0.4929732618130559
Energy: 0.5138067780306087
Energy: 0.49350874041701154
Energy: 0.5116543643462974
Energy: 0.49329497545289475
Energy: 0.4955548210262888
Energy: 0.503635981610125
Energy: 0.4871889422807246
Energy: 0.4935834546794425
Energy: 0.5025887180989799
Energy: 0.49468331994829473
Energy: 0.4815980319647128
Energy: 0.5038092656844714
Energy: 0.4944062354812794
Energy: 0.4807667566854419
Energy: 0.5169911813590672
Energy: 0.4946607308063529
Energy: 0.49482805958790144
Energy: 0.4920005500190048
Energy: 0.4957373093791156
Energy: 0.4957374246072017
Energy: 0.5211523847406505
Energy: 0.4827554089521187
Energy: 0.483894009135353
Energy: 0.5069670632908637
Energy: 0.49085231171439336
Energy: 0.5037407126454935
Energy: 0.5089261423505687
Energy: 0.5106302830260073
Energy: 0.505671222626419
Energy: 0.510054543049807
Energy: 0.5015540715857593
Energy: 0.504091556607773
Energy: 0.5051032769394784
Energy: 0.5080883528965271
Energy: 0.5069247327740811
Energy: 0.47903896156232234
Energy: 0.4966150837258775
Energy: 0.504377375041827
Energy: 0.5161292938810959
Energy: 0.4904703622039662
Energy: 0.4913226721835833
Energy: 0.49602618917717106
Energy: 0.4914635994514632
Energy: 0.49209252987013996

minimum gb energy = 0.4718993944336235 eV
minimum distance =  2.56897024360428 Angstroms
sigma value = 27


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

Energy: 0.7524848727332529
Energy: 0.7087837487328741
Energy: 0.47699850009970635
Energy: 0.4827329416439087
Energy: 0.7094307881260852
Energy: 0.4733112765829097
Energy: 0.5426534551022067
Energy: 0.4788460357932534
Energy: 0.47959484908350797
Energy: 0.4884432344122629
Energy: 0.5001381947024517
Energy: 0.4798036818899438
Energy: 0.4859168202856086
Energy: 0.49114090725828247
Energy: 0.48981439299429974
Energy: 0.49097036065380834
Energy: 0.48376676685568387
Energy: 0.4909872773548447
Energy: 0.4922411252005499
Energy: 0.4763989436056407
Energy: 0.4766027645802606
Energy: 0.4867098374997294
Energy: 0.4761103319787639
Energy: 0.4783672753378868
Energy: 0.4975364559839642
Energy: 0.4749196419179355
Energy: 0.47582196802356835
Energy: 0.494997759023548
Energy: 0.4760553761721571
Energy: 0.47669674401844314
Energy: 0.49781268984737276
Energy: 0.484015462242977
Energy: 0.48312959306146674
Energy: 0.4925661793601352
Energy: 0.48698955890504575
Energy: 0.4834272091277989
Energy: 0.48545913422024445
Energy: 0.4803951486460224
Energy: 0.47960320422883074
Energy: 0.47486113148612713
Energy: 0.4784983063737007
Energy: 0.47514517318019606
Energy: 0.504458309145115
Energy: 0.48678437902525434
Energy: 0.4860587975224396
Energy: 0.48635457811192734
Energy: 0.49247716749506787
Energy: 0.486018721626062
Energy: 0.5042815902054725
Energy: 0.4932043691670608
Energy: 0.4901385380647936
Energy: 0.4950586491238829
Energy: 0.49353348243951345
Energy: 0.49053146435985373
Energy: 0.570191956250697
Energy: 0.4884241479307563
Energy: 0.4861408106722839
Energy: 0.49552084644931305
Energy: 0.4917111755164677
Energy: 0.48619803467587214
Energy: 0.5054012634408168
Energy: 0.48748471239841085
Energy: 0.48590611806033335
Energy: 0.49027732580928535
Energy: 0.48719764521762
Energy: 0.4855506213717296
Energy: 0.5103054318584368
Energy: 0.48756572646645513
Energy: 0.48681926696105177
Energy: 0.4953527202080079
Energy: 0.49391536561715155
Energy: 0.4867438045347121
Energy: 0.5316506116995305
Energy: 0.4884550444232691
Energy: 0.48833616096786864
Energy: 0.4951857105137428
Energy: 0.4907648623541084
Energy: 0.48578703845999033
Energy: 0.5231080248599447
Energy: 0.4853410422182401
Energy: 0.48516965010382707
Energy: 0.4943928810518203
Energy: 0.4867020202656917
Energy: 0.4854116795998168
Energy: 0.5115150270816707
Energy: 0.48528556045780585
Energy: 0.4839158093874174
Energy: 0.4840181504149403
Energy: 0.48642557009658005
Energy: 0.4819973747286407
Energy: 0.4949822226679454
Energy: 0.48719686042586074
Energy: 0.4862315721833309
Energy: 0.48849718904315875
Energy: 0.48694662293313246
Energy: 0.4862373767175623
Energy: 0.49789010147096513
Energy: 0.48074183705682105
Energy: 0.4802670304926915
Energy: 0.49666689942566195
Energy: 0.49607328292595376
Energy: 0.47988370667578456
Energy: 0.50974234903169
Energy: 0.48702250557111154
Energy: 0.4865163342796824
Energy: 0.48455138961859606
Energy: 0.49064017137568183
Energy: 0.48576061106448176
Energy: 0.49738543214686837
Energy: 0.4840132103656059
Energy: 0.4825665090910013
Energy: 0.4866356380302085
Energy: 0.49208874706416383
Energy: 0.4816651942468806
Energy: 0.4854928107547683
Energy: 0.4841115735709498
Energy: 0.48264106029864484
Energy: 0.4759637529380658
Energy: 0.4923865651902302
Energy: 0.48171118044390115
Energy: 0.5007069545135145
Energy: 0.47954264107064637
Energy: 0.48908969328426155
Energy: 0.4929223403421014
Energy: 0.4763779657237519
Energy: 0.4887101005679921
Energy: 0.5041500612974084
Energy: 0.47850834722933205
Energy: 0.4751036447279971
Energy: 0.5034208173344191
Energy: 0.5017397708908216
Energy: 0.4754985975236426
Energy: 0.5002261575823519
Energy: 0.4985575409204507
Energy: 0.4941701496760894
Energy: 0.48646299691638395
Energy: 0.4977887080105761
Energy: 0.49354803350773147
Energy: 0.4850700867566619
Energy: 0.48657374179820495
Energy: 0.48662268111212953
Energy: 0.4944444817343231
Energy: 0.4870991882493075
Energy: 0.48528855540953564
Energy: 0.5331668085929907
Energy: 0.48854126516196367
Energy: 0.4921651160854846
Energy: 0.4871192466487824
Energy: 0.4907049349329011
Energy: 0.48075520362394014

minimum gb energy = 0.4733112765829097 eV
minimum distance =  2.54214228590821 Angstroms
sigma value = 19


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

Energy: 0.4926282251168171
Energy: 0.4823218347677873
Energy: 0.4658020061046328
Energy: 0.4622045610013413
Energy: 0.4931693518773353
Energy: 0.46532939614719365
Energy: 0.5167711446576826
Energy: 0.46669340164871
Energy: 0.47310152777500253
Energy: 0.47123244845186574
Energy: 0.4659513030112087
Energy: 0.473451858961277
Energy: 0.4904528299621901
Energy: 0.4644863060891581
Energy: 0.46707402946172616
Energy: 0.4698272979879154
Energy: 0.4727504572869439
Energy: 0.46621386219648825
Energy: 0.49555659595510276
Energy: 0.47664705855195116
Energy: 0.4750048463328759
Energy: 0.46073735494421797
Energy: 0.47857562560306105
Energy: 0.47428307598403924
Energy: 0.49158376513079555
Energy: 0.4592147966582526
Energy: 0.46550897444029604
Energy: 0.4674392425993255
Energy: 0.47343863160490113
Energy: 0.4654890198411299
Energy: 0.4944136600710577
Energy: 0.4801648405727175
Energy: 0.4785227519703253
Energy: 0.48566116432479195
Energy: 0.47742547882303193
Energy: 0.47833320417230246
Energy: 0.49429693188195073
Energy: 0.46537327771771425
Energy: 0.4652065335751688
Energy: 0.4929516140153055
Energy: 0.4722773207545392
Energy: 0.46836281860722584
Energy: 0.4883662117914485
Energy: 0.471604676879123
Energy: 0.47307831707694037
Energy: 0.4659102252034738
Energy: 0.475225462954829
Energy: 0.4672869772576808
Energy: 0.4860758406912882
Energy: 0.4655511381738766
Energy: 0.4714324219601808
Energy: 0.4774329108066038
Energy: 0.4598949958758433
Energy: 0.470343298960088
Energy: 0.4863397280634883
Energy: 0.470110496232505
Energy: 0.4701222358548005
Energy: 0.47995079930562046
Energy: 0.47188461723416786
Energy: 0.470563659986007
Energy: 0.4903538426076209
Energy: 0.4570065330212372
Energy: 0.4597847885015919
Energy: 0.4855132573680875
Energy: 0.4620288141218136
Energy: 0.4583137197515378
Energy: 0.4940259165597887
Energy: 0.47044881538259203
Energy: 0.47114024774453084
Energy: 0.47091076709027224
Energy: 0.47211286293127536
Energy: 0.47072087784882877
Energy: 0.4975497332395583
Energy: 0.47392375427844863
Energy: 0.4654345704342726
Energy: 0.4715963536943719
Energy: 0.47447335023911985
Energy: 0.4684305449807782
Energy: 0.5055173176549714
Energy: 0.47376708622467606
Energy: 0.4725505889698149
Energy: 0.4706192379193338
Energy: 0.4745866266513471
Energy: 0.47220974841114444
Energy: 0.49372883510710597
Energy: 0.46445922294002767
Energy: 0.4638495444956812
Energy: 0.4545435685353301
Energy: 0.46870409150551245
Energy: 0.4654526359264723
Energy: 0.49301791245948673
Energy: 0.47070404707407776
Energy: 0.4673916450976906
Energy: 0.46823207043415915
Energy: 0.47272763672798135
Energy: 0.46741126542242867
Energy: 0.4894140457799718
Energy: 0.4684827112445035
Energy: 0.4677872621081633
Energy: 0.4707008329295308
Energy: 0.4677168945750119
Energy: 0.4688484940398778
Energy: 0.5003808029286064
Energy: 0.46890371214832116
Energy: 0.46749094592853313
Energy: 0.47106293351153944
Energy: 0.4540217200598342
Energy: 0.4676665946385058
Energy: 0.4926713190115878
Energy: 0.4673384592777498
Energy: 0.46629973582503065
Energy: 0.4645168815357324
Energy: 0.46309965631125655
Energy: 0.46327976098623325
Energy: 0.4863807770992955
Energy: 0.4675842105567728
Energy: 0.46877436645021864
Energy: 0.4592436956256468
Energy: 0.4679602690940468
Energy: 0.4674779703385109
Energy: 0.4745724189052625
Energy: 0.46701047420418346
Energy: 0.4645456224407485
Energy: 0.47318730603121323
Energy: 0.46965673632349114
Energy: 0.4601344016842125
Energy: 0.47981988436142625
Energy: 0.4698547750883071
Energy: 0.4692610746000553
Energy: 0.4765949724991431
Energy: 0.4721267519180454
Energy: 0.4649775136362576
Energy: 0.48679515362758713
Energy: 0.4626509322880626
Energy: 0.4619329475630296
Energy: 0.47092919085638635
Energy: 0.4623120841255439
Energy: 0.46467972318825346
Energy: 0.48763237367995954
Energy: 0.46342530904088247
Energy: 0.46526099279893635
Energy: 0.4709008071589428
Energy: 0.4697186772901389
Energy: 0.4671102183078738
Energy: 0.49519695405311226
Energy: 0.4576070541052909
Energy: 0.46986886876227474
Energy: 0.476288658664255
Energy: 0.457039883886061
Energy: 0.4693367792479763
Energy: 0.48994089489571735
Energy: 0.4579100108922496
Energy: 0.4589445306109625
Energy: 0.4753715755431018
Energy: 0.455700556843544
Energy: 0.454594429667685
Energy: 0.4868189051627828
Energy: 0.47227591518878165
Energy: 0.46984782278719367
Energy: 0.47475231030945575
Energy: 0.4762430151588207
Energy: 0.46936967180116945
Energy: 0.4901049296027379
Energy: 0.47270191386767524
Energy: 0.47369941562024415
Energy: 0.46338915265989966
Energy: 0.48165021522324314
Energy: 0.47291393240681756
Energy: 0.5008034510503024
Energy: 0.48734107168630686
Energy: 0.4830659804502611
Energy: 0.4707920951333975
Energy: 0.4879789196336311
Energy: 0.46441232981453423

minimum gb energy = 0.4540217200598342 eV
minimum distance =  2.5537653108893 Angstroms
sigma value = 101


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

Energy: 0.7030984312704094
Energy: 0.4509234712971582
Energy: 0.4580281739477928
Energy: 0.4320468023873039
Energy: 0.4519488696510083
Energy: 0.43530361975955173
Energy: 0.48346714166517857
Energy: 0.453998849901873
Energy: 0.45129913502225233
Energy: 0.4552477260119789
Energy: 0.4441319355496223
Energy: 0.4508352001086672
Energy: 0.48278720849585605
Energy: 0.4512163987580302
Energy: 0.4419597183372118
Energy: 0.4459343077393421
Energy: 0.45012658131635214
Energy: 0.4413702615490609
Energy: 0.4795613194299229
Energy: 0.45290838089619684
Energy: 0.45163362816090125
Energy: 0.44139657600286
Energy: 0.45070072607042544
Energy: 0.4513635971965082
Energy: 0.46237011926325977
Energy: 0.4396608899537829
Energy: 0.4443986667441684
Energy: 0.4584035539310168
Energy: 0.4461823733667569
Energy: 0.45395759015906556
Energy: 0.47600339051628326
Energy: 0.4513542673799265
Energy: 0.45061197422692684
Energy: 0.4584775553683223
Energy: 0.45224248579642595
Energy: 0.45044773647388714
Energy: 0.4602681033828874
Energy: 0.45013291200084943
Energy: 0.4416805609558907
Energy: 0.4540009030148081
Energy: 0.44979992169598165
Energy: 0.4412799422183041
Energy: 0.48187601737715313
Energy: 0.45108878505898353
Energy: 0.45007197726380826
Energy: 0.468683520935854
Energy: 0.44921528325524046
Energy: 0.45118498509234745
Energy: 0.4601608360397431
Energy: 0.4404823163344041
Energy: 0.4497885065043166
Energy: 0.451947714104636
Energy: 0.4387360894899967
Energy: 0.4490413459944204
Energy: 0.46147234938647563
Energy: 0.4532792798251648
Energy: 0.45267386544193694
Energy: 0.4535093120530281
Energy: 0.45420734947696734
Energy: 0.4526890771315378
Energy: 0.4807773050303252
Energy: 0.42708712364988594
Energy: 0.4256469872227271
Energy: 0.4414935126487463
Energy: 0.44815294012034
Energy: 0.42892599173543744
Energy: 0.4787828857553935
Energy: 0.4537458861722933
Energy: 0.45169518172392553
Energy: 0.44321911212420334
Energy: 0.4510416845893568
Energy: 0.45121777919766254
Energy: 0.46776464578261273
Energy: 0.43818029507789347
Energy: 0.44116175649180195
Energy: 0.4503670006826126
Energy: 0.4497819986231401
Energy: 0.44333717501592096
Energy: 0.4690826597320138
Energy: 0.4531772955352911
Energy: 0.4521760120990712
Energy: 0.4521253039708478
Energy: 0.44340846266309103
Energy: 0.45046853279159016
Energy: 0.47955130863291684
Energy: 0.4507871940537215
Energy: 0.44924120152073826
Energy: 0.44383746287948017
Energy: 0.45246840396235544
Energy: 0.44899872111218553
Energy: 0.4829534810246071
Energy: 0.4504559162651682
Energy: 0.4521230459817568
Energy: 0.4544836071718435
Energy: 0.4612231694686946
Energy: 0.4519614544075024
Energy: 0.4701677631555169
Energy: 0.478925073717168
Energy: 0.451634521073476
Energy: 0.4460262202790597
Energy: 0.48051150683184185
Energy: 0.44865887074547983
Energy: 0.4929280228236622
Energy: 0.44170248920314104
Energy: 0.4422998434787356
Energy: 0.4523157872215579
Energy: 0.4414492430124262
Energy: 0.45098017190574663
Energy: 0.48509783320059624
Energy: 0.4503547759717956
Energy: 0.44991437583235183
Energy: 0.43765317183531366
Energy: 0.45203290922583994
Energy: 0.45021174659901375
Energy: 0.4768289735842828
Energy: 0.45103688816442555
Energy: 0.4499360915630902
Energy: 0.4413692376604814
Energy: 0.45227767990490675
Energy: 0.4496902006513834
Energy: 0.4635975956586673
Energy: 0.44133164324516894
Energy: 0.442025699882155
Energy: 0.4535726641860574
Energy: 0.441454501286746
Energy: 0.45313713507838255
Energy: 0.472271266665064
Energy: 0.45252087810156527
Energy: 0.45156345220896627
Energy: 0.46042976585153134
Energy: 0.4408000731940875
Energy: 0.45150434046348425
Energy: 0.47701060075419527
Energy: 0.449665499753505
Energy: 0.45075690996843604
Energy: 0.45878377973786877
Energy: 0.4515193912150011
Energy: 0.44678400380821104
Energy: 0.4824909627872279
Energy: 0.4499333952769746
Energy: 0.44956578868944014
Energy: 0.4414547323495227
Energy: 0.45168850685663864
Energy: 0.4433582004339968
Energy: 0.4614420242202263
Energy: 0.45213551027071863
Energy: 0.45014461969555475
Energy: 0.453658436333771
Energy: 0.4405003991253397
Energy: 0.45004793342757216
Energy: 0.45942206658110757
Energy: 0.4515095149044608
Energy: 0.4505043037859945
Energy: 0.4524781284166576
Energy: 0.45412784669642814
Energy: 0.45014178417537387
Energy: 0.4824805126108328
Energy: 0.44879861147113415
Energy: 0.448432273191217
Energy: 0.4438452985526512
Energy: 0.4505913410814056
Energy: 0.44785715972011597
Energy: 0.47758627035935186
Energy: 0.45050461924851265
Energy: 0.44865309832479433
Energy: 0.4433080417169296
Energy: 0.45195179181432815
Energy: 0.45218435957537945
Energy: 0.4687907499513174
Energy: 0.4437076838026469
Energy: 0.4426666677039919
Energy: 0.45140045084132596
Energy: 0.44390903176604696
Energy: 0.45039113419155463
Energy: 0.46776827159772755
Energy: 0.44355012406981925
Energy: 0.44254000033892815
Energy: 0.45094684678142205
Energy: 0.443489617415061
Energy: 0.45256974165433
Energy: 0.4772159349185561
Energy: 0.4509469923558534
Energy: 0.45016935040423584
Energy: 0.44329165568668366
Energy: 0.45100531162816054
Energy: 0.45047585271974705
Energy: 0.483067123717633
Energy: 0.4514551829526174
Energy: 0.4504212841312187
Energy: 0.4408829933368154
Energy: 0.4526786915218636
Energy: 0.4502558656036955
Energy: 0.46869142884739834
Energy: 0.4405150726895244
Energy: 0.451499034862976
Energy: 0.448816596119659
Energy: 0.4423574005765392
Energy: 0.45083885139845065

minimum gb energy = 0.4256469872227271 eV
minimum distance =  2.55707386967425 Angstroms
sigma value = 33


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

Energy: 0.011738858296614854
Energy: 0.46943682986616714
Energy: 0.012112687130252547
Energy: 0.01280089452390283
Energy: 0.4706516834049806
Energy: 0.012150383876608328
Energy: 0.20926083609308294
Energy: 0.05842741368911667
Energy: 0.05781436792125559
Energy: 0.06153985167347056
Energy: 0.059721791414773746
Energy: 0.05768841553260916
Energy: 0.6236611165522428
Energy: 0.46916661351088174
Energy: 0.46842751265569693
Energy: 0.47098689834058594
Energy: 0.47092718855615795
Energy: 0.46851253509647367
Energy: 0.011953906383252364
Energy: 0.05842741368911667
Energy: 0.05781436792125559
Energy: 0.06153985167347056
Energy: 0.059721791414773746
Energy: 0.05768841553260916

minimum gb energy = 0.011738858296614854 eV
minimum distance =  2.78583914180027 Angstroms
sigma value = 1