Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664998710155487
cohesive_energy=4.316339468704817
mass=55.845
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=[6.59080993222044e-21, 2.27047655157408e-20, 4.0982236338749396e-20, 7.01237464815852e-20, 1.0598382412143659e-19, 1.390835116385694e-19, 4.1835235178690993e-19, 4.5545876263035e-19, 4.91534973898128e-19, 5.24107224867348e-19, 5.5240647075369e-19, 5.7694861243330195e-19, 5.985731904624e-19, 6.17512520452914e-19, 6.338659373561519e-19, 6.4777283053927195e-19, 6.59404632902112e-19, 6.689279708146079e-19, 6.76504664116794e-19, 6.82338189241188e-19, 6.866095921474319e-19, 6.894630687325859e-19, 6.91028395304004e-19, 6.914994352343999e-19, 6.91033201833906e-19, 6.89580027626868e-19, 6.870533950750499e-19, 6.8336037793368e-19, 6.78428878254228e-19, 6.725296638878401e-19, 6.66327638137626e-19, 6.606991916223839e-19, 6.56855569877418e-19, 6.55573828570218e-19, 6.512239190089079e-19, 6.36475883092938e-19, 6.030945329235479e-19, 5.40684946499346e-19, 4.36094855831826e-19, 2.72972446194384e-19, 3.15873929923002e-20, -3.1254460687755e-19, -7.893155230933679e-19, -1.4164955773558379e-18, -2.1404599177249798e-18, -2.9125808811822595e-18, -3.76485874163856e-18, -4.924113645169259e-18, -6.6881261409696e-18, -9.0583862533092e-18, -1.202949464693148e-17, -1.66571895930444e-17, -2.48302130384052e-17, -4.1945144495783395e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013237299976654024
Energy: 0.013769878427904864
Energy: 0.22662875370742397
Energy: 0.22694843477516097
Energy: 0.2268885820396306
Energy: 0.013568822229755776
Energy: 0.013769878427904864
Energy: 1.611515759624589
Energy: 0.2267404573673567
Energy: 0.22702195226492589
Energy: 0.2265301539431942
Energy: 0.22666259702485392
Energy: 0.22662875370742397
Energy: 0.22655931242265356
Energy: 1.6035974986969301
Energy: 0.013390622588525752
Energy: 0.22687984400040018
Energy: 0.226561098302814
Energy: 0.22694249143960052
Energy: 0.22702195226542468
Energy: 0.013390622588525752
Energy: 0.013383424888126712
Energy: 0.22703798095870528
Energy: 0.22674308545298177
Energy: 0.22688858158824393
Energy: 0.226530153943693
Energy: 0.22687985195882668
Energy: 0.22703795633466145
Energy: 1.6036895134241296
Energy: 0.22666228029934707
Energy: 0.013568822229755776
Energy: 0.22666262009387203
Energy: 0.22656109830084661
Energy: 0.22674308545348054
Energy: 0.22666228029981814
Energy: 0.013324695265771737

minimum gb energy = 0.013237299976654024 eV
minimum distance =  2.48161052905326 Angstroms
sigma value = 1


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

Energy: 2.2188397449812927
Energy: 1.4305991703421466
Energy: 1.4120414334255358
Energy: 1.5277342381854166
Energy: 1.4506679192142695
Energy: 1.43421148779565
Energy: 1.5913049680489688
Energy: 1.4617222157000909
Energy: 1.3790580673653274
Energy: 1.5007091065683127
Energy: 1.3827570129553495
Energy: 1.40665041276544
Energy: 1.4478409570870479
Energy: 1.3751964606201856
Energy: 1.4616854388467704
Energy: 1.4588908216715506
Energy: 1.3675825013545588
Energy: 1.3702189199774475
Energy: 1.49330681226446
Energy: 1.3682807974203135
Energy: 1.4192848838698242
Energy: 1.5698232141791137
Energy: 1.3687262571768053
Energy: 1.491630984901376
Energy: 1.4674925492991144
Energy: 1.4750353883635146
Energy: 1.3966275981930198
Energy: 1.6353319606732606
Energy: 1.461277386923199
Energy: 1.4947720459151677
Energy: 1.4818028682864193
Energy: 1.4368781924958836
Energy: 1.4141867691567687
Energy: 1.4656369620055625
Energy: 1.410785485043391
Energy: 1.4109878842303436
Energy: 1.4830995676145486
Energy: 1.3989566195893988
Energy: 1.4149715022111296
Energy: 1.534720830145875
Energy: 1.3983941317410404
Energy: 1.4260363450956097
Energy: 1.4530172172125642
Energy: 1.3915568153021667
Energy: 1.4848478662046811
Energy: 1.4415812464028266
Energy: 1.5207716768248323
Energy: 1.3605150506205073
Energy: 1.3005405202621911
Energy: 1.4055858558165804
Energy: 1.4063489106208316
Energy: 1.7792180794656174
Energy: 1.4002828543410453
Energy: 1.4547988932994802
Energy: 1.3042811871483504
Energy: 1.4212656616031132
Energy: 1.412733552074432
Energy: 1.4645766290657227
Energy: 1.3970702913330908
Energy: 1.4237869933722005
Energy: 1.4676641535862451
Energy: 1.51304962092275
Energy: 1.4066483682317317
Energy: 1.3250995677994284
Energy: 1.3791817214002682
Energy: 1.5810906047827782
Energy: 1.450514751778309
Energy: 1.3923635910981638
Energy: 1.4380981217326614
Energy: 1.6324909160167966
Energy: 1.4015224539693905
Energy: 1.4710458506286601
Energy: 1.4663702818619617
Energy: 1.3773205402069009
Energy: 1.4083412028038922
Energy: 1.635661712332453
Energy: 1.3706336329892026
Energy: 1.4714383530982262
Energy: 1.4934041729852512
Energy: 1.3970771180233648
Energy: 1.3814000665537605
Energy: 1.4693393968479758
Energy: 1.399541348489267
Energy: 1.391650040307701
Energy: 1.492885648767939
Energy: 1.3947281427531235
Energy: 1.369119446678712
Energy: 1.48224300547821
Energy: 1.3703526039346359
Energy: 1.3977374543766585
Energy: 1.470141666904934
Energy: 1.3666221970680115
Energy: 1.3674265752789645
Energy: 1.4785266723240031
Energy: 1.3892358121101642
Energy: 1.4653010242927222
Energy: 1.4550584760612804
Energy: 1.3836275038924466
Energy: 1.3944827019994914
Energy: 1.3433925247388387
Energy: 1.431182026068147
Energy: 1.376943238987045
Energy: 1.457334908083697
Energy: 1.39924936515363
Energy: 1.4208026382361625
Energy: 1.4147120683392314
Energy: 1.416729394080343
Energy: 1.5094756065293573
Energy: 1.4631341455361062
Energy: 1.4158824844716593
Energy: 1.4271735335632452
Energy: 1.4654125543664382
Energy: 1.407306232674927
Energy: 1.5062720469147486
Energy: 1.4420101828774035
Energy: 1.5200733093167182
Energy: 1.3565689232617077
Energy: 1.4550380059222037
Energy: 1.3881572625770326
Energy: 1.4682472817840009
Energy: 1.9398941076807055
Energy: 1.393821026550411
Energy: 1.4025735917080246
Energy: 1.4362974645101938
Energy: 1.407662953834335
Energy: 1.404191116430129
Energy: 1.4448097454051678
Energy: 1.402041474434913
Energy: 1.4076583303481949
Energy: 1.2978428586206432
Energy: 1.407870284707347
Energy: 1.36642046280697
Energy: 1.4940613022638867
Energy: 1.4599603930870233
Energy: 1.4900619507747646
Energy: 1.4811660022985924
Energy: 1.3631884986112248
Energy: 1.5147305033964142

minimum gb energy = 1.2978428586206432 eV
minimum distance =  2.21829186550167 Angstroms
sigma value = 33


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

Energy: 2.871328380956108
Energy: 1.5061871257002968
Energy: 1.5447147522495162
Energy: 1.5254212255059054
Energy: 1.5347717954662246
Energy: 1.4869172370863255
Energy: 1.7656978745218264
Energy: 1.4865538708163657
Energy: 1.4123620603792042
Energy: 1.4929640565505677
Energy: 1.4378162522340632
Energy: 1.4717972450142303
Energy: 1.6725645762833752
Energy: 1.4636337084404094
Energy: 1.4961561799552305
Energy: 1.5240094974318796
Energy: 1.4857765002378214
Energy: 1.5176617328800235
Energy: 1.6310633162122523
Energy: 1.495106110012565
Energy: 1.4712566649207606
Energy: 1.5393425104106384
Energy: 1.4678431184445853
Energy: 1.6041650256564932
Energy: 1.65515311329491
Energy: 1.6102197056357384
Energy: 1.4406287203303296
Energy: 1.6886620979574631
Energy: 1.531733876439793
Energy: 1.6433225310104276
Energy: 1.4684777326414375
Energy: 1.5043232433631535
Energy: 1.4637633416836167
Energy: 1.4677236917091896
Energy: 1.4722465056322755
Energy: 1.5453434466982847
Energy: 1.4717921810354095
Energy: 1.501799201228921
Energy: 1.4620628152847517
Energy: 2.154684593718347
Energy: 1.4900545474171376
Energy: 1.5360049346935183
Energy: 1.4950252662531482
Energy: 1.5479009342610524
Energy: 1.5701599608525298
Energy: 1.5815945289317368
Energy: 1.5480477706106626
Energy: 1.4583553966083413
Energy: 1.6373599694516658
Energy: 1.45695613374207
Energy: 1.4547850470433414
Energy: 1.6360044786906993
Energy: 1.4515711617083529
Energy: 1.636953304194177
Energy: 1.520405715389238
Energy: 1.450716717345795
Energy: 1.5267931811708833
Energy: 1.6396544649161215
Energy: 1.459223164286187
Energy: 1.4790093990145898
Energy: 1.506796580002036
Energy: 1.4290015916552659
Energy: 1.4737755240543262
Energy: 1.6572496918335462
Energy: 1.47189660001658
Energy: 1.4258403278456868
Energy: 1.4773042977812498
Energy: 1.4241256412250352
Energy: 1.4167402614652966
Energy: 1.5422112547968405
Energy: 1.4152015212876345
Energy: 1.489724856741971
Energy: 1.459647567873616
Energy: 1.4135270112149663
Energy: 1.4183956768295054
Energy: 1.5426058238096705
Energy: 1.4166211848910093
Energy: 1.437896114164806
Energy: 1.5056869420862113
Energy: 1.4858037091271457
Energy: 1.4691240740102482
Energy: 1.6322743093065324
Energy: 1.457047597134228
Energy: 1.4813367609628953
Energy: 1.4311163206460622
Energy: 1.4705340389242252
Energy: 1.5477341399497577
Energy: 1.6277937599300507
Energy: 1.4636608863031138
Energy: 1.4727194203710499
Energy: 1.5847204682356457
Energy: 1.4731288108322753
Energy: 1.4720959946697052
Energy: 1.7483037739534668
Energy: 1.4700698418209217
Energy: 1.720401899678058
Energy: 1.609919375922232
Energy: 1.5926544804437905
Energy: 1.6270149725917586
Energy: 1.5592268498362454
Energy: 1.6121257920017398
Energy: 1.486768512782788
Energy: 1.4446355620496063
Energy: 1.4650128849633943
Energy: 1.4765675932564732
Energy: 1.8508556013700703
Energy: 1.46636252133359
Energy: 1.4667713854688678
Energy: 1.4334892649078514
Energy: 1.4749371636689323
Energy: 1.4613950055897176
Energy: 1.5440086726372255
Energy: 1.4681919676568593
Energy: 1.4789043726460405
Energy: 1.5727187876589985
Energy: 1.592077268129996
Energy: 1.459876619047484
Energy: 1.719622092612137
Energy: 1.4435110460918454
Energy: 1.5493786128546232
Energy: 1.5422427612126959
Energy: 1.4673718245945353
Energy: 1.427764234741294
Energy: 1.5982461232958505
Energy: 1.4544702710322652
Energy: 1.5563749417387651
Energy: 1.5685807747883482
Energy: 1.446679296429737
Energy: 1.788433394799171
Energy: 1.5579468798931217
Energy: 1.4588520483019525
Energy: 1.46609425075921
Energy: 1.6244371877696933
Energy: 1.6850889666327453
Energy: 1.4315077223029111
Energy: 1.567763694630419
Energy: 1.45297275098415
Energy: 1.4951995245555258
Energy: 2.6697328379454524
Energy: 1.4931172956871666
Energy: 1.5939571547602305
Energy: 1.6535192995490529
Energy: 1.5004613665801954
Energy: 1.458988715067684
Energy: 1.6892975532246237
Energy: 1.5929450146276654
Energy: 1.5892720146801358
Energy: 1.5514181405757455
Energy: 1.4462922408714953
Energy: 1.4946478048668816
Energy: 1.5865648418858411
Energy: 1.5426708491298098
Energy: 1.552357904070382
Energy: 1.4606647877092653
Energy: 1.4728315904484302
Energy: 1.5834628395852497
Energy: 2.152304997556271
Energy: 1.4629128226534602
Energy: 1.5139387610582895
Energy: 1.745341558594969
Energy: 1.4710563820696403
Energy: 1.5878603973709242
Energy: 1.575336933293201
Energy: 1.582783127912786
Energy: 1.4212075546773086
Energy: 1.466505111679792
Energy: 1.4654331702429857
Energy: 1.6333007817728538
Energy: 1.651397141834398
Energy: 1.4627062450883714
Energy: 1.6088115181333438
Energy: 1.6321068360215005
Energy: 1.4569793061044505
Energy: 1.6291024130573781
Energy: 1.6487631330671382
Energy: 1.5505554538241455
Energy: 1.4756410161819067
Energy: 1.4876607447619403
Energy: 1.4514093587840784
Energy: 1.6343840324266519
Energy: 1.668084646681621
Energy: 1.4653637082883255
Energy: 1.431658055907776
Energy: 1.4799267803192233
Energy: 1.4521467901484602
Energy: 1.554383444675489
Energy: 1.6327587234176495
Energy: 1.4300879587568711
Energy: 1.458745752783621
Energy: 1.4687155902773672
Energy: 1.4090757137011658
Energy: 1.629505313215907
Energy: 1.4753924062682762
Energy: 1.4094193100697883
Energy: 1.4413615446858525
Energy: 1.4582269360129352
Energy: 1.4202575097834036
Energy: 1.452004694812844
Energy: 1.6758748976848594
Energy: 1.472069060037731
Energy: 1.504644729785135
Energy: 1.4985177237262755
Energy: 1.5337484903753158
Energy: 1.465318675815449
Energy: 1.6735629624822286
Energy: 1.4632040954741732
Energy: 1.4810542963694404
Energy: 1.4222634739316047
Energy: 1.470690653759815
Energy: 1.65491728210539
Energy: 1.9121433450074699
Energy: 1.463424850379105
Energy: 1.471085342549403
Energy: 1.4929565485382963
Energy: 1.467438805337619
Energy: 1.576461258848588
Energy: 1.7130757149972553
Energy: 1.6278213906452823
Energy: 1.4336455003150734
Energy: 1.4156763776769339
Energy: 1.5459785262453005
Energy: 1.634650437957369
Energy: 1.6591639276602714
Energy: 1.4692261091258847
Energy: 1.4698791268735514
Energy: 1.4396391810321247
Energy: 1.4686378164380882
Energy: 1.5012013226503629
Energy: 1.6579641634232596
Energy: 1.4938934369025962
Energy: 1.46677514943574
Energy: 1.4430002688218015
Energy: 1.4664245798111573
Energy: 1.6204799937495455
Energy: 1.6475483608254333
Energy: 1.4579020234326066
Energy: 1.531201777000224
Energy: 1.4939706880783974
Energy: 1.499158987430295
Energy: 1.4833854734887348
Energy: 1.6636711160260835
Energy: 1.4216443485827739
Energy: 1.4451836666259548
Energy: 1.472800775352315
Energy: 1.4413296437112069
Energy: 1.465812345405726

minimum gb energy = 1.4090757137011658 eV
minimum distance =  2.21213716635291 Angstroms
sigma value = 51


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

Energy: 2.5726565322781125
Energy: 1.484635958528274
Energy: 1.6883507449108763
Energy: 1.6946199379738665
Energy: 1.5387110281639087
Energy: 1.4860808359040534
Energy: 1.4725483869059224
Energy: 1.5062325226473747
Energy: 1.5624552349389118
Energy: 1.6130587674991808
Energy: 1.5668270072955928
Energy: 1.6306177165478424
Energy: 1.6852891363905522
Energy: 1.478015503269682
Energy: 1.5020863131426812
Energy: 1.672807784761029
Energy: 1.4611688494578678
Energy: 1.4667757490878681
Energy: 1.6476251541482263
Energy: 1.4674067584141623
Energy: 1.4741715895644583
Energy: 2.0033542685806935
Energy: 1.464577141780709
Energy: 1.6027503979216464
Energy: 1.659718917191897
Energy: 1.4780152930044455
Energy: 1.482889645770652
Energy: 1.6729568940260142
Energy: 1.5165505732649325
Energy: 1.6074273157910233
Energy: 1.6440153205852714
Energy: 1.4911231523060788
Energy: 1.8462691806824547
Energy: 1.6066930686253555
Energy: 1.48840224341931
Energy: 1.654561662005325
Energy: 1.640929230128951
Energy: 1.5029017869151664
Energy: 1.4859320322311933
Energy: 1.8743712947794684
Energy: 1.507053413079221
Energy: 1.4931845823956205
Energy: 1.6682622446727917
Energy: 1.6139381390693157
Energy: 1.7635860906889385
Energy: 1.607332336024264
Energy: 1.6454382522288376
Energy: 1.6184825346221225
Energy: 1.3893165414019097
Energy: 1.721555132395076
Energy: 1.4801544496549186
Energy: 1.6675115629103714
Energy: 1.50467237230826
Energy: 2.0750728700385066
Energy: 1.4044549838232467
Energy: 1.4737623063886247
Energy: 1.6139682155269015
Energy: 1.6104879293582972
Energy: 1.4595010802492245
Energy: 1.4877656415357328
Energy: 1.6989967350746151
Energy: 1.6221877717798887
Energy: 1.5426309144737067
Energy: 1.6699168832852318
Energy: 1.4691625464428935
Energy: 1.4682655778626281
Energy: 1.6617651001499525
Energy: 1.4647895450654478
Energy: 1.490439520366558
Energy: 1.973126804589088
Energy: 1.4953366818858935
Energy: 1.4665332749537647
Energy: 1.6477806143380196
Energy: 1.4697753950215346
Energy: 1.485984122859812
Energy: 1.5965469140423174
Energy: 1.462645253829997
Energy: 1.4547440160654412
Energy: 1.711004190323065
Energy: 1.657353052842444
Energy: 1.726785241742227
Energy: 1.6940752983956313
Energy: 1.724801657187993
Energy: 1.668424077586007
Energy: 1.6625023953311362
Energy: 1.4906203945815357
Energy: 1.6420334293677206
Energy: 1.8409342500903823
Energy: 1.483059365048765
Energy: 1.49412013565667
Energy: 1.647215100994693
Energy: 1.4844439522869077
Energy: 1.5011841918369428
Energy: 1.8658922436125591
Energy: 1.4900749300916791
Energy: 1.484110150581172
Energy: 1.7667036629437787
Energy: 1.622349505428072
Energy: 1.664715231360661
Energy: 1.6563495668937784
Energy: 1.750390891208314
Energy: 1.6385865571198723
Energy: 1.4971140053617653
Energy: 1.456735096484757
Energy: 1.4695556733385564
Energy: 1.6632416279122284
Energy: 1.4928284397875564
Energy: 1.4812642743300604

minimum gb energy = 1.3893165414019097 eV
minimum distance =  2.22068271760298 Angstroms
sigma value = 19


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

Energy: 2.373232992680755
Energy: 1.6502763158042848
Energy: 1.6547593654968518
Energy: 1.64957886911486
Energy: 1.6647577345476112
Energy: 1.6449457821749707
Energy: 1.6252443340891702
Energy: 1.619871079620114
Energy: 1.576850169726958
Energy: 1.6176720208857878
Energy: 1.5991180924648005
Energy: 1.6489857446065999
Energy: 1.789860406275297
Energy: 1.5800825626686015
Energy: 1.6273710848293148
Energy: 1.6824406756609536
Energy: 1.5737588435573406
Energy: 1.7165778550200879
Energy: 1.8696658703581293
Energy: 1.5770811782981309
Energy: 1.576293057882837
Energy: 1.7370195457018263
Energy: 1.5833287645851448
Energy: 1.7211738129887466
Energy: 1.802765608778445
Energy: 1.7187662897946325
Energy: 1.6685522307603355
Energy: 1.571330048345759
Energy: 1.6352793033235693
Energy: 1.7811844732505022
Energy: 1.833627898102519
Energy: 1.605982334282533
Energy: 1.7473159755214702
Energy: 1.551401932436203
Energy: 1.638663186553134
Energy: 1.7757185621551133
Energy: 1.8709305804185719
Energy: 1.667732316991374
Energy: 1.5793392865036746
Energy: 2.393251317581642
Energy: 1.5946571144601411
Energy: 1.7550533070366965
Energy: 1.779057485879694
Energy: 1.5762813656953274
Energy: 1.6039744059691625
Energy: 1.5554113346361522
Energy: 1.624813431767642
Energy: 1.6488525882486125
Energy: 1.543852146292781
Energy: 1.5377756697224962
Energy: 1.5457414389076036
Energy: 1.593741916266514
Energy: 1.5692418174293792
Energy: 1.612469071567895
Energy: 1.8857270797140704
Energy: 1.5582688083161444
Energy: 1.5341082376851132
Energy: 1.617155149034521
Energy: 1.5484046300772563
Energy: 1.5838589638833223
Energy: 1.6938212821948246
Energy: 1.6125486773295032
Energy: 1.6349441414272055
Energy: 1.620825266933258
Energy: 1.5676552680898643
Energy: 1.6503306820053534
Energy: 1.7272138216185926
Energy: 1.7275197585465147
Energy: 1.5740946475427424
Energy: 1.7721232989160007
Energy: 1.57266272676274
Energy: 1.7460266662474442
Energy: 1.9274283405060462
Energy: 1.5807309396777207
Energy: 1.7395671710582166
Energy: 1.7608567178180943
Energy: 1.5882697118634799
Energy: 1.6708354594844455
Energy: 1.7031776574653257
Energy: 1.8008133968974331
Energy: 1.6279122125121877
Energy: 1.6561252594537281
Energy: 1.626129914440025
Energy: 1.7358842121049458
Energy: 1.6230546025401762
Energy: 1.580031244742803
Energy: 1.644894502897494
Energy: 1.653125443253752
Energy: 1.565933381164425
Energy: 1.5518704192097372
Energy: 1.6140511071115056
Energy: 1.6079985858449322
Energy: 1.5840897124324014
Energy: 1.5296829415843733
Energy: 1.5637927970587338
Energy: 1.609983950821678
Energy: 1.6415857793961008
Energy: 1.5743571068426772
Energy: 1.5795991733862564
Energy: 1.7281931289099737
Energy: 1.5769057966208169
Energy: 1.567652615413179
Energy: 1.8006804175581788
Energy: 1.5766170851087706
Energy: 1.7061492918594843
Energy: 1.771372835704204
Energy: 1.5799813848353432
Energy: 1.5769769794799278
Energy: 1.8130523851152245
Energy: 1.5764375826561692
Energy: 1.5735376262343332
Energy: 1.8475130648302063
Energy: 1.5757531723289173
Energy: 1.741004360372592
Energy: 1.60818875475673
Energy: 1.6921028254493369
Energy: 1.7653449789595155
Energy: 1.7263135457978929
Energy: 1.8231885106986325
Energy: 1.6535662997531237
Energy: 1.5932951177687418
Energy: 1.5875475804691592
Energy: 1.5740606871842142
Energy: 1.8240817969978786
Energy: 1.5856270174529816
Energy: 1.7412098799602653
Energy: 1.616023306940802
Energy: 1.5729058060834928
Energy: 1.7569864596335842
Energy: 1.7810344322703442
Energy: 1.5804751929851042
Energy: 1.5694080376495667
Energy: 1.5734454471968
Energy: 1.604860170525778
Energy: 1.6483378736662424
Energy: 1.7187668132864424
Energy: 1.6119207216496756
Energy: 1.5644412951933486
Energy: 1.607214453451216
Energy: 1.5430193418925042
Energy: 1.5903112147328478
Energy: 1.5899277588413618
Energy: 1.5616479381218535
Energy: 1.596257539714275
Energy: 1.617456512790996
Energy: 1.5374892374247529
Energy: 1.5386013185277903
Energy: 1.5537009337495589
Energy: 1.5801477493838718
Energy: 1.5409407145934535
Energy: 1.640826477169926
Energy: 1.6378556653714547
Energy: 1.6404553433667142
Energy: 1.7036610257446854
Energy: 1.639096277877843
Energy: 1.6628266367808264
Energy: 1.84445196487201
Energy: 1.580875452420413
Energy: 1.7974134879575323
Energy: 1.7722098387055203
Energy: 1.6340554225148531
Energy: 1.566639591273222
Energy: 1.7306891315976325
Energy: 1.7365167752216106
Energy: 1.5706652331872129
Energy: 1.9253569563402522
Energy: 1.5691489149054807
Energy: 1.7450885769645639
Energy: 1.7040101021806116
Energy: 1.6382652732850087
Energy: 1.65225565663476
Energy: 1.6559652016225377
Energy: 1.6577679543981827
Energy: 1.5733193877467864
Energy: 1.6816521742961263
Energy: 1.5569227548541738
Energy: 1.5590464202420764
Energy: 1.6162244332772955
Energy: 1.5570553511386793
Energy: 1.580685106961867

minimum gb energy = 1.5296829415843733 eV
minimum distance =  2.21638204176533 Angstroms
sigma value = 27


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

Energy: 1.943968188669309
Energy: 1.5367636445404265
Energy: 1.7022334643833485
Energy: 1.7366070009891161
Energy: 1.7075263372889393
Energy: 1.9831059205083221
Energy: 1.5029366423403099
Energy: 1.634329416635721
Energy: 1.7110849813953701
Energy: 1.5535181254235555
Energy: 1.6816108336216782
Energy: 1.6529838428210413
Energy: 1.5597415479388246
Energy: 1.5503874012758767
Energy: 1.5602625001795498
Energy: 1.5353095837132489
Energy: 1.6066512803320439
Energy: 1.6510258593910927
Energy: 1.4867980307981183
Energy: 1.5518421673517382
Energy: 1.55222088262902
Energy: 1.6358725883278564
Energy: 1.546362557139782
Energy: 1.5490126593231364
Energy: 1.5653637895482555
Energy: 1.5687161387524742
Energy: 1.5255814581094715
Energy: 1.568155274861327
Energy: 1.5495010608331405
Energy: 1.6338852165046498
Energy: 1.7678356083860223
Energy: 1.596313169265728
Energy: 1.639645984043984
Energy: 1.7044807611249073
Energy: 1.5439032619905417
Energy: 1.7163339871359247
Energy: 1.5977429035897615
Energy: 1.6979054773993283
Energy: 1.5198640407403543
Energy: 1.9336880553923224
Energy: 1.6375791377021416
Energy: 1.6937700042684998
Energy: 1.5440169820604486
Energy: 1.5992060381461908
Energy: 1.6491168199055728
Energy: 1.569813178045468
Energy: 1.6422944143674778
Energy: 1.707316469074819
Energy: 1.530835917162124
Energy: 1.5591955780470022
Energy: 1.5491041219292627
Energy: 1.5740650105531788
Energy: 1.5781832611915492
Energy: 1.640702210167302
Energy: 1.5035026678671304
Energy: 1.5585771599560678
Energy: 1.5741223454873
Energy: 1.6345526644083122
Energy: 1.6393706930210201
Energy: 1.559089776982562
Energy: 1.5579142909758337
Energy: 1.5414595593520093
Energy: 1.5591520822819764
Energy: 1.5827623395841253
Energy: 1.561436922176899
Energy: 1.8643365912987744
Energy: 1.557081647888903
Energy: 1.6546065629776847
Energy: 1.6973060628658974
Energy: 1.72753598714225
Energy: 1.6886637174960846
Energy: 1.656310859000724

minimum gb energy = 1.4867980307981183 eV
minimum distance =  2.22935148486903 Angstroms
sigma value = 9


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

Energy: 1.8066474015665406
Energy: 1.6990329558092856
Energy: 1.6821121023620051
Energy: 1.6139090575725925
Energy: 1.6523036868689829
Energy: 1.7093177318832335
Energy: 1.6554370402213565
Energy: 1.8213961765245106
Energy: 1.6122103925922886
Energy: 1.6210938679237787
Energy: 1.639158405953171
Energy: 1.6671558608531063
Energy: 1.7192851050852727
Energy: 1.7401034136452236
Energy: 1.7781780407989594
Energy: 1.6722993616343111
Energy: 1.7088639293077694
Energy: 1.801148338461489
Energy: 1.5900865059071327
Energy: 1.7503296224499754
Energy: 1.8042249059077993
Energy: 1.7995948452542034
Energy: 1.7104969329055137
Energy: 1.8151882726839168
Energy: 1.6977729742709802
Energy: 1.7302484967609657
Energy: 1.7953883033773501
Energy: 1.7156630379146143
Energy: 1.6832028059708994
Energy: 1.809476337001757
Energy: 1.6283890461566386
Energy: 1.5915092325415534
Energy: 1.7558109171177694
Energy: 1.6798603498788027
Energy: 1.7777168778432202
Energy: 1.5988870785211975
Energy: 1.6102241094695442
Energy: 1.6862786134504346
Energy: 1.697557340515563
Energy: 1.8008245038360267
Energy: 1.6571692130071458
Energy: 1.6608742892511403
Energy: 1.5549736671426244
Energy: 1.6120201782609946
Energy: 1.7757104455152293
Energy: 1.6813892622834767
Energy: 1.8283298099364196
Energy: 1.6008617461812482
Energy: 1.6233589764561644
Energy: 1.737855454071161
Energy: 1.8387591731002184
Energy: 1.7101591460463965
Energy: 1.738245275200813
Energy: 1.754355818706266
Energy: 1.6518904935402678
Energy: 1.7217202548810076
Energy: 1.7487920575215532
Energy: 1.8756690617433283
Energy: 1.6500647607970782
Energy: 1.752756553200968
Energy: 1.673594064450632
Energy: 1.6820673392319345
Energy: 1.7391913922098436
Energy: 1.7482354445366517
Energy: 1.690851314289139
Energy: 1.7834980863627719
Energy: 1.6764607945684673
Energy: 1.8087768246505451
Energy: 1.6574529115517225
Energy: 1.6977473633136115
Energy: 1.65843088898984
Energy: 1.6667086046926611
Energy: 1.6977779511320519
Energy: 1.7102364595985946
Energy: 1.731352695056455
Energy: 1.670374795235344
Energy: 1.695632114527439
Energy: 1.6871733551917947
Energy: 1.6735327027771207
Energy: 1.8375344379207117
Energy: 1.6875489975341333
Energy: 1.6479443319481277
Energy: 1.6467102026544287
Energy: 1.8527564484315564
Energy: 1.667179218893285
Energy: 1.8182695006192002
Energy: 1.704927769559435
Energy: 1.6424392757376145
Energy: 1.755802169946649
Energy: 1.8692911104828966
Energy: 1.8554245690729954
Energy: 1.6942130236663302
Energy: 1.703087356710136
Energy: 1.674703254086941
Energy: 1.695986789739272
Energy: 1.670605969834592
Energy: 1.7306148310594809
Energy: 1.6783431313888757
Energy: 1.7068726159433287
Energy: 1.6475642265346322
Energy: 1.6556586847013581
Energy: 1.715934633982513
Energy: 1.6648189182984974
Energy: 1.6387938638133568
Energy: 1.752767836749041
Energy: 1.7341576980217008
Energy: 1.8198318582033155
Energy: 1.7577852240075844
Energy: 1.6498477804030842
Energy: 1.753739577413818
Energy: 1.6833447913415078
Energy: 2.064142446884297
Energy: 1.6751710379781417
Energy: 1.7613222469815968
Energy: 1.6715598623258978
Energy: 1.70242195034007
Energy: 1.8496679572265173
Energy: 1.736195022025833
Energy: 1.7714861992160562
Energy: 1.766379617259418
Energy: 1.55511569242917
Energy: 1.7533408181789827
Energy: 1.8161184327173157
Energy: 1.64383093190363
Energy: 1.7262763195983426
Energy: 1.6154043741076392
Energy: 1.5392297354901208
Energy: 1.683077219912805
Energy: 1.663657895759108
Energy: 1.810406021563846
Energy: 1.6146359017360572
Energy: 1.6015617914561475
Energy: 1.6251593129411488
Energy: 1.6140530133001214
Energy: 1.7751558844513697
Energy: 1.752501852825841
Energy: 1.6151169280070172
Energy: 1.6173994876585884
Energy: 1.665191712213347
Energy: 1.7878663148890528
Energy: 1.7965382231108655
Energy: 1.6945885059092247
Energy: 1.6496113965225931
Energy: 1.700883769549156
Energy: 2.106740478605587
Energy: 1.652499104946882
Energy: 1.7904317294351868
Energy: 1.6408966691042448
Energy: 1.7303388364860992
Energy: 1.7244127584693427
Energy: 1.726633889214518
Energy: 1.7877659226376774
Energy: 1.7512972561605404
Energy: 1.8629176677351245
Energy: 1.6444883548342752
Energy: 1.8282159477766144
Energy: 1.6053747832064398
Energy: 1.6655369001596492
Energy: 1.598045446691937
Energy: 1.6425625616619886
Energy: 1.7811391737900801
Energy: 1.8007306796688198
Energy: 1.7728501276752886
Energy: 1.6946675126325736
Energy: 1.6480930418589526
Energy: 1.6286027606650773
Energy: 1.6328788715161469
Energy: 1.6778932844293382
Energy: 1.7068500893719913
Energy: 1.7023158577773236
Energy: 1.599609332927453
Energy: 1.554703526844328
Energy: 1.6311593542491385
Energy: 1.6706762624489595
Energy: 1.697652708383329
Energy: 1.7752077717663133
Energy: 1.7647205536549713
Energy: 1.5804895679071507
Energy: 1.7729515427278586
Energy: 1.8366532959893147
Energy: 1.7882847448444112
Energy: 1.736088655997671
Energy: 1.7021170331670945
Energy: 1.8099986748608647
Energy: 1.6431698593610944
Energy: 1.8584285840170325
Energy: 1.7719049444671449
Energy: 1.6754159106710447
Energy: 1.7690271064148686
Energy: 1.6113268803920064
Energy: 1.6937663667107588
Energy: 1.8245831992108992
Energy: 1.7214015714065096
Energy: 1.6521278294334631
Energy: 1.6977029693416321
Energy: 1.680238587807296
Energy: 1.7168103413928826
Energy: 1.7000522746273323
Energy: 1.639187234789354
Energy: 1.7048816576374939
Energy: 1.649591615315771
Energy: 1.8439462221688916
Energy: 1.6838796223956323
Energy: 1.7223271682365084
Energy: 1.6454249588556042
Energy: 1.6495070232915376
Energy: 1.6862223766220956
Energy: 1.7019516019156076
Energy: 1.6578413028741805
Energy: 1.640949031073158
Energy: 1.6337890716479986
Energy: 1.7705366494579573
Energy: 1.852778041178723
Energy: 1.6647508308089485
Energy: 1.7684760475650334
Energy: 1.6958294175615105
Energy: 1.6551860247548547
Energy: 1.6497061115975684
Energy: 1.7313759736741785
Energy: 1.6038250807408183
Energy: 1.6743167380666095
Energy: 1.6852859439142118
Energy: 1.6456252526853241
Energy: 1.707923763043232
Energy: 1.6825567079847656
Energy: 1.9108243573497532
Energy: 1.6666536120674713
Energy: 1.7246103877096637
Energy: 1.7312319310227964
Energy: 1.6564725142076455
Energy: 1.7019063903282516
Energy: 1.6684075986582048
Energy: 1.6793795736354815
Energy: 1.6772979385749194
Energy: 1.7416235315454456
Energy: 1.6469099772867606
Energy: 1.7490211993909335
Energy: 1.6183017738250192
Energy: 1.701450211278497
Energy: 1.69256511842631
Energy: 1.7541286986936115
Energy: 1.6494017026682422
Energy: 1.7061927338395073
Energy: 1.8066737972100675
Energy: 1.6342915006231005
Energy: 1.8085580993918373
Energy: 1.7064478610620808
Energy: 1.8148879214526366
Energy: 1.756356112786813
Energy: 1.6078987549463764
Energy: 1.7629613023367794
Energy: 1.8162603882870996
Energy: 1.7193363740461842
Energy: 1.730757051360035
Energy: 1.623124745153298
Energy: 1.5635464399958556
Energy: 1.6122938066861323
Energy: 1.8177043106260582

minimum gb energy = 1.5392297354901208 eV
minimum distance =  2.21400780046254 Angstroms
sigma value = 57


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

Energy: 2.664939740614938
Energy: 1.6404034682677426
Energy: 1.6436112016714495
Energy: 1.5057332069973692
Energy: 1.5949974552523167
Energy: 1.6354899539532715
Energy: 1.9745017582922082
Energy: 1.6823246424471414
Energy: 1.5020169444017273
Energy: 1.3760789826905249
Energy: 1.656959142047303
Energy: 1.6270367188508053
Energy: 1.3654573017511242
Energy: 1.6394443744998295
Energy: 1.6664918855275965
Energy: 1.401096716547941
Energy: 1.6346358222860615
Energy: 1.518898608806377
Energy: 1.566877575812221
Energy: 1.664684387953369
Energy: 1.6285132311928932
Energy: 1.5802411679887345
Energy: 1.6755200702774524
Energy: 1.3906649321234212
Energy: 1.4057459773991487
Energy: 1.6498102296826536
Energy: 1.6421024399256294
Energy: 1.371799514172835
Energy: 1.642846044538401
Energy: 1.5189564943733225
Energy: 1.3654279025074256
Energy: 1.5237050281769167
Energy: 1.6680633363413382
Energy: 1.371538379722425
Energy: 1.724162032031381
Energy: 1.5174283962588635
Energy: 1.4642973140427349
Energy: 1.6392216901524597
Energy: 1.5437723245963952
Energy: 1.684961470460962
Energy: 1.5405141429047782
Energy: 1.599246224031857
Energy: 1.4765279371655875
Energy: 1.5283023430018856
Energy: 1.6228685928162085
Energy: 1.367365045191548
Energy: 1.6640238671128513
Energy: 1.504548982459305
Energy: 1.4199403407423539
Energy: 1.6398454708462864
Energy: 1.6508376519044563
Energy: 1.3764877352965394
Energy: 1.6426649167462555
Energy: 1.3996726378963356
Energy: 1.4001339709161542
Energy: 1.5624577244252345
Energy: 1.6805979738958123
Energy: 1.6843925440212053
Energy: 1.5406910879528726
Energy: 1.5182137225370564
Energy: 1.3656296761974094
Energy: 1.535783565419397
Energy: 1.7424883926776162
Energy: 1.5157256142304683
Energy: 1.6413913794095882
Energy: 1.413668815773743
Energy: 1.6740019964152377
Energy: 1.6553258255811287
Energy: 1.5438671485548363
Energy: 1.3793659081351834
Energy: 1.6499855253026587
Energy: 1.6072526317530356
Energy: 2.1281952659032477
Energy: 1.6613346048060407
Energy: 1.6570443303196372
Energy: 1.3786259554628144
Energy: 1.653780301739027
Energy: 1.6323373530585437
Energy: 1.6771905689562665
Energy: 1.6393353421443762
Energy: 1.6894069521994928
Energy: 1.579182507467686
Energy: 1.6504258026437912
Energy: 1.6814098726579396
Energy: 1.383757554043591
Energy: 1.662500639330087
Energy: 1.5273227737831856
Energy: 1.3564921399905194
Energy: 1.7037947168822558
Energy: 1.6443463839789199
Energy: 2.060881258851296
Energy: 1.632063741903983
Energy: 1.5447495809948333
Energy: 1.385877886478765
Energy: 1.5225787206340395
Energy: 1.7543960736597874
Energy: 1.7696859194197516
Energy: 1.520678603646113
Energy: 1.506782667960434
Energy: 1.4862433583916792
Energy: 1.51373203264887
Energy: 1.6478864773212196
Energy: 1.3755561961360667
Energy: 1.6732448987424264
Energy: 1.5305951849087376
Energy: 1.411383371666385
Energy: 1.6509403140337042
Energy: 1.6416443592494212
Energy: 1.3613467651854132
Energy: 1.644935320219509
Energy: 1.5468797663372362
Energy: 1.4973729650285554
Energy: 1.5280258964659026
Energy: 1.691012592431481

minimum gb energy = 1.3564921399905194 eV
minimum distance =  2.2159572593618 Angstroms
sigma value = 11


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

Energy: 2.0579218230748997
Energy: 1.5950100177739561
Energy: 1.4011029104287533
Energy: 1.3893782649709834
Energy: 1.513928945015127
Energy: 1.5558877963314433
Energy: 2.3473231183929486
Energy: 1.595669725856334
Energy: 1.5070533159753143
Energy: 1.4616388361718633
Energy: 1.4182861608889403
Energy: 1.650335120409118
Energy: 1.7107616524366664
Energy: 1.5838673676702901
Energy: 1.5174992419681872
Energy: 1.5741967948426319
Energy: 1.5395772977382274
Energy: 1.6163105101422404
Energy: 1.8179873222615008
Energy: 1.5419368891418674
Energy: 1.5160111478240428
Energy: 1.5682422445931736
Energy: 1.535855869137099
Energy: 1.5607498753829503
Energy: 1.82471299978426
Energy: 1.5701637692727728
Energy: 1.5617614779761655
Energy: 1.6315081270756246
Energy: 1.5620366207557608
Energy: 1.564854223503668
Energy: 1.7132525757645936
Energy: 1.6532989295116984
Energy: 1.6452547875911452
Energy: 1.7121174547684825
Energy: 1.5890839480559935
Energy: 1.627643846663209
Energy: 1.5122052919611264
Energy: 1.5374403638646048
Energy: 1.5800809041683073
Energy: 1.5866267886037133
Energy: 1.5842732103638686
Energy: 1.4370898497423605
Energy: 1.3760547077928094
Energy: 1.5460726293507443
Energy: 1.594116787700633
Energy: 1.776491022784159
Energy: 1.5781130067725202
Energy: 1.4870736538340377
Energy: 1.4897415578427116
Energy: 1.396052178287203
Energy: 1.6295932088628522
Energy: 1.7239352027595631
Energy: 1.5629995756127228
Energy: 1.4100888553000441
Energy: 1.2334313133881962
Energy: 1.4027273744824624
Energy: 1.3897863447341758
Energy: 1.6039441463186204
Energy: 1.4642495651126548
Energy: 1.2653169925236505
Energy: 1.2971146015953938
Energy: 1.402875802477471
Energy: 1.471868261897207
Energy: 1.7693792907480772
Energy: 1.4219287529929028
Energy: 1.3073296552979672
Energy: 1.277325095048102
Energy: 1.4206890191100061
Energy: 1.5712536040828187
Energy: 1.5946643003066394
Energy: 1.5721433073449236
Energy: 1.2870915451162441
Energy: 1.2969004614746418
Energy: 1.4192020917647958
Energy: 1.832093469331409
Energy: 1.7084359340895912
Energy: 1.558539820245976
Energy: 1.3267189386636589
Energy: 1.2669997743177552
Energy: 1.3270924150218268
Energy: 1.5740121943043994
Energy: 1.6812490751627558
Energy: 1.4191083102418849
Energy: 1.2984147788668294
Energy: 1.483231291852498
Energy: 1.5204198172448384
Energy: 1.6995230225523756
Energy: 1.45556620279364
Energy: 1.5943624903857372
Energy: 1.4733419502981695
Energy: 1.5673421040422202
Energy: 1.5402158744448908
Energy: 1.6268832025102373
Energy: 1.6458142569535272
Energy: 1.5683714193356035
Energy: 1.4720288041910905
Energy: 1.5598474236044553
Energy: 1.5475308640178902
Energy: 1.5531517538841957
Energy: 1.70751992293195
Energy: 1.5476441128067908
Energy: 1.459273927343119
Energy: 1.7067776952668483
Energy: 1.5812065944435665
Energy: 1.6114688146775336
Energy: 1.7785350398901132
Energy: 1.565168276773866
Energy: 1.5986060297416054
Energy: 1.7244967357566692
Energy: 1.5785233173392892
Energy: 1.4105604781856027
Energy: 1.6714290974290753
Energy: 1.671446640138537
Energy: 1.6091068359473102
Energy: 1.6942246585752838
Energy: 1.5606590994396297
Energy: 1.4765736757809913
Energy: 1.5507301245063112
Energy: 1.5595153892977365
Energy: 1.5640287560709731
Energy: 1.7095284574162473
Energy: 1.5921468556457294
Energy: 1.464262471538744
Energy: 1.3629379523901524
Energy: 1.5429442823524537
Energy: 1.622009348199083
Energy: 1.7144561488718815
Energy: 1.612997463028337
Energy: 1.3936997986707802
Energy: 1.485900940426049
Energy: 1.4494252219611627
Energy: 1.60331977761718
Energy: 1.768357743794842
Energy: 1.485826443884292
Energy: 1.3878357492637912
Energy: 1.2612839646400924
Energy: 1.425953874525003
Energy: 1.5616056523638175
Energy: 1.7206940443510772
Energy: 1.4576635805931482
Energy: 1.3880326177977924
Energy: 1.3114041536798633
Energy: 1.4106784962724346
Energy: 1.6579246968859949
Energy: 1.7064570655540547
Energy: 1.6086477740392204
Energy: 1.418790547844445
Energy: 1.2902209343892952
Energy: 1.2871074792511712
Energy: 1.5770337521774744
Energy: 2.4143775666183265
Energy: 1.55484226103575
Energy: 1.319653252980652
Energy: 1.3034401249965777
Energy: 1.4108474685588688
Energy: 1.6208195910364969

minimum gb energy = 1.2334313133881962 eV
minimum distance =  2.21379037136762 Angstroms
sigma value = 41


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

Energy: 2.3267565548030382
Energy: 1.4003233190711744
Energy: 1.2650108571795002
Energy: 1.256698155121118
Energy: 1.1680320755138425
Energy: 1.6416210901075925
Energy: 1.9547249725826534
Energy: 1.4584831060239052
Energy: 1.3368745311877603
Energy: 1.3005197448489443
Energy: 1.268698536287144
Energy: 1.5162895569001846
Energy: 1.966765170402313
Energy: 1.4393873556777719
Energy: 1.3613584608977345
Energy: 1.3639176796812198
Energy: 1.4058149785563108
Energy: 1.469948194934638
Energy: 2.0404195070668654
Energy: 1.588100840386222
Energy: 1.3366848527920014
Energy: 1.3413958424536998
Energy: 1.4016370814605486
Energy: 1.439349938012446
Energy: 1.987276952398859
Energy: 1.418476604073793
Energy: 1.3969725284760193
Energy: 1.461201348201727
Energy: 1.409765208774483
Energy: 1.4254493343842949
Energy: 1.9735048814273866
Energy: 1.4432727804060652
Energy: 1.474224128399858
Energy: 1.480085738204367
Energy: 1.4399562044033771
Energy: 1.4369634685849162
Energy: 1.7973237535092452
Energy: 1.4851746046834224
Energy: 1.4441293563870998
Energy: 1.4434751840579623
Energy: 1.5018176216323045
Energy: 1.4416912218574272
Energy: 1.7736184365510685
Energy: 1.4719967537921572
Energy: 1.509690072929084
Energy: 1.5558442820521703
Energy: 1.4948254896111433
Energy: 1.5009669808370827
Energy: 1.7394717382574567
Energy: 1.4542560869813237
Energy: 1.470636977558831
Energy: 1.4617028907422536
Energy: 1.4540079695155244
Energy: 1.5409125356037308
Energy: 1.503509823142555
Energy: 1.4804599818753967
Energy: 1.398435434727101
Energy: 1.5050906522506682
Energy: 1.4528197978436825
Energy: 1.440725081040169
Energy: 1.413963844565122
Energy: 1.3858129762770826
Energy: 1.4414558352746605
Energy: 1.5470392794291445
Energy: 1.5448971024190972
Energy: 1.3331021085484078
Energy: 1.3509277248606604
Energy: 1.339838179371279
Energy: 1.4927926538165377
Energy: 1.4634777722870445
Energy: 1.4248469032066127
Energy: 1.3156971282378194
Energy: 1.320712428782058
Energy: 1.3331930653474715
Energy: 1.2962355218778912
Energy: 1.4491418637475644
Energy: 1.2877427198079885
Energy: 1.2545895903965318
Energy: 1.1705202566610131
Energy: 1.1594374779842882
Energy: 1.4065029271606557
Energy: 1.404756872761064
Energy: 1.2656152213994212
Energy: 1.1982779961555277
Energy: 1.1743704972900506
Energy: 1.2769152537968607
Energy: 1.4372262751040148
Energy: 1.4416978665329196
Energy: 1.2794928824098444
Energy: 1.1850658409332795
Energy: 1.176725070352809
Energy: 1.1867555522308468
Energy: 1.4126304476251852
Energy: 1.452130572728085
Energy: 1.4350753909227232
Energy: 1.1927206074465757
Energy: 1.153266018933397
Energy: 1.1723188611617257
Energy: 1.3715514248366092
Energy: 1.433175823979324
Energy: 1.2810169827568767
Energy: 1.1751328186649095
Energy: 1.3089525596711973
Energy: 1.2547396906791215
Energy: 1.4030932493059252
Energy: 1.4395004687519606
Energy: 1.2635348454510726
Energy: 1.2560769598795494
Energy: 1.3769854427583021
Energy: 1.3750169415264708
Energy: 1.4627687658352357
Energy: 1.4253349198838365
Energy: 1.4237438991794535
Energy: 1.3552426711171572
Energy: 1.4353464156307891
Energy: 1.4347303858762577
Energy: 1.4393940871319846
Energy: 1.4645484815586358
Energy: 1.4523931712468952
Energy: 1.3616305073008974
Energy: 1.5447900813610203
Energy: 1.4016036417610171
Energy: 1.452997240831242
Energy: 1.4503504862952945
Energy: 1.4454671140089173
Energy: 1.502528229710995
Energy: 1.7554126549024285
Energy: 1.460493345508657
Energy: 1.459256989856929
Energy: 1.4488751376326647
Energy: 1.4287801441259913
Energy: 1.4293630212209887
Energy: 1.7586201269997757
Energy: 1.4350133303530945
Energy: 1.5029624341413552
Energy: 1.5159905204549522
Energy: 1.483836800316124
Energy: 1.4444511660769133
Energy: 1.7701812512125206
Energy: 1.4342415212599935
Energy: 1.4855593655636055
Energy: 1.5306222594723413
Energy: 1.4391742882643423
Energy: 1.433063588365261
Energy: 1.9442671063137584
Energy: 1.4332869124421084
Energy: 1.4622323099402716
Energy: 1.5360169513782118
Energy: 1.4405108472545993
Energy: 1.4437294676161816
Energy: 1.9235793628110902
Energy: 1.43351146794713
Energy: 1.3977044975965771
Energy: 1.5092136391157536
Energy: 1.399904595879168
Energy: 1.4644787011505072
Energy: 1.7852966675575752
Energy: 1.525433288898182
Energy: 1.3314307363125528
Energy: 1.3437632791523033
Energy: 1.4021091551758074
Energy: 1.410522336527828
Energy: 1.9837601233383657
Energy: 1.498215658506168
Energy: 1.3386019264990174
Energy: 1.3782517495240099
Energy: 1.401268048262931
Energy: 1.4821907190407748
Energy: 1.9851034894774398
Energy: 1.4300600841499134
Energy: 1.2868430443477492
Energy: 1.3123566248064724
Energy: 1.2959314970790035
Energy: 1.4295596707969482
Energy: 1.9536492816103381
Energy: 1.2706370036569858
Energy: 1.1618839484283954
Energy: 1.1562306785925933
Energy: 1.266348741129605
Energy: 1.4002311439519157
Energy: 1.9797581797883685
Energy: 1.2758387040228498
Energy: 1.2626478469146436
Energy: 1.1755616961947866
Energy: 1.272962889255118
Energy: 1.517763840808388
Energy: 1.9687037873929958
Energy: 1.3955899803303495
Energy: 1.1561064556022378
Energy: 1.1587834993985184
Energy: 1.1648087256582433
Energy: 1.4291253827869905
Energy: 1.9866429016941167
Energy: 1.289968939037676
Energy: 1.163699589647991
Energy: 1.1796274284757604
Energy: 1.2666171603757228
Energy: 1.3840813852173792

minimum gb energy = 1.153266018933397 eV
minimum distance =  2.20448144819638 Angstroms
sigma value = 33


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

Energy: 2.090862723816896
Energy: 1.2558333207333652
Energy: 1.1685159256735227
Energy: 1.140049393604981
Energy: 1.188287057297507
Energy: 1.4157271342134283
Energy: 2.2538002093606573
Energy: 1.3165379873150858
Energy: 1.1796122599917425
Energy: 1.1352505059392273
Energy: 1.1426151697921598
Energy: 1.2971264899774881
Energy: 2.2508633554035433
Energy: 1.343989512459239
Energy: 1.21999432732049
Energy: 1.163061900015639
Energy: 1.237986754530015
Energy: 1.276726510210764
Energy: 1.9586508182132225
Energy: 1.27161037396918
Energy: 1.1709449282173805
Energy: 1.1798796296222225
Energy: 1.2471793819803987
Energy: 1.3429482548647282
Energy: 2.0350759895358115
Energy: 1.3094379324600485
Energy: 1.2154737071623076
Energy: 1.2474011777655314
Energy: 1.242613133881069
Energy: 1.2826455158237333
Energy: 2.2500702235936036
Energy: 1.311089509505436
Energy: 1.2739713115154887
Energy: 1.304726412223906
Energy: 1.272904210047272
Energy: 1.3774277877948933
Energy: 2.1309491207639217
Energy: 1.30220998805048
Energy: 1.284778201575557
Energy: 1.3213925069083152
Energy: 1.271595805753793
Energy: 1.3312358968654379
Energy: 1.665737400511392
Energy: 1.3163750945877306
Energy: 1.2947524672021045
Energy: 1.301277474311165
Energy: 1.2895495658047076
Energy: 1.3920339512899271
Energy: 2.076699820489639
Energy: 1.3424209429163918
Energy: 1.291298124484732
Energy: 1.3347355385554331
Energy: 1.2870083913288415
Energy: 1.3577369166429463
Energy: 1.909319978834385
Energy: 1.3158088221904796
Energy: 1.295872379831921
Energy: 1.338375684177046
Energy: 1.2842082811357827
Energy: 1.3983908142723278
Energy: 1.6633378260193346
Energy: 1.2909127139826557
Energy: 1.2957033664444122
Energy: 1.4288147309400192
Energy: 1.281168948435708
Energy: 1.3498320753980013
Energy: 1.621255362421904
Energy: 1.2841378582410696
Energy: 1.3046407144850019
Energy: 1.3088749167495268
Energy: 1.2809334817018807
Energy: 1.3027567894162753
Energy: 1.7384508638386604
Energy: 1.2641562018724166
Energy: 1.3180796467077942
Energy: 1.4215637710390452
Energy: 1.2843945899020115
Energy: 1.2635519229531347
Energy: 1.4877308260906639
Energy: 1.2638806407260308
Energy: 1.3117945579219141
Energy: 1.3740344413666616
Energy: 1.292787989436386
Energy: 1.285218956575505
Energy: 1.438822972477296
Energy: 1.2783826020917604
Energy: 1.3684849401279533
Energy: 1.3675818012844374
Energy: 1.319854399489503
Energy: 1.2997203780257827
Energy: 1.4647405058037652
Energy: 1.245904324244698
Energy: 1.342999907666326
Energy: 1.3204861626147724
Energy: 1.2903441285330026
Energy: 1.2954631343961185
Energy: 1.420135144992464
Energy: 1.2276512782389777
Energy: 1.319111051501881
Energy: 1.3420408138555402
Energy: 1.3018729494023773
Energy: 1.2170648083914817
Energy: 1.2304992153555192
Energy: 1.2200113342791643
Energy: 1.2656940364534983
Energy: 1.4071897344516853
Energy: 1.4359872309727102
Energy: 1.1760669265117167
Energy: 1.190682809843047
Energy: 1.1732832276830845
Energy: 1.3283404887354597
Energy: 1.314808799377165
Energy: 1.2611817568947536
Energy: 1.1711479205951096
Energy: 1.1306879108754695
Energy: 1.1915330310569139
Energy: 1.1209733409499185
Energy: 1.3417592024303802
Energy: 1.1588056854680853
Energy: 1.1032134112785725
Energy: 1.0309028027226461
Energy: 1.0372708758767815
Energy: 1.2810904180635265
Energy: 1.3935815742735973
Energy: 1.1214570414818263
Energy: 1.0509535197958442
Energy: 1.0294164451830787
Energy: 1.1337493769816507
Energy: 1.3115246316915885
Energy: 1.3601283606379695
Energy: 1.1890178651819683
Energy: 1.0490979285443063
Energy: 1.0357001177532414
Energy: 1.112751246649569
Energy: 1.2921914515043054
Energy: 1.4372315465584944
Energy: 1.3472110326475457
Energy: 1.0384174049649693
Energy: 1.0311595981455386
Energy: 1.0822662449336957
Energy: 1.3308404298838896
Energy: 1.3314028862584253
Energy: 1.1605140331058053
Energy: 1.042419577970626
Energy: 1.1384315725115992
Energy: 1.1809536349317284
Energy: 1.3182526576643814
Energy: 1.4353616233490347
Energy: 1.1236355080716867
Energy: 1.1626635488145651
Energy: 1.2055156048184636
Energy: 1.1678435357882986
Energy: 1.3035520942192302
Energy: 1.3053175396692873
Energy: 1.2826536183213697
Energy: 1.213693128238213
Energy: 1.211692002129684
Energy: 1.2293647345847907
Energy: 1.2301746143369021
Energy: 1.383578328970992
Energy: 1.2943909964884224
Energy: 1.2103995664801463
Energy: 1.4324797137638823
Energy: 1.228521179222964
Energy: 1.3111084888446232
Energy: 1.4194672450190418
Energy: 1.2462619796175887
Energy: 1.2436086527118737
Energy: 1.4576560464537245
Energy: 1.2575551336961928
Energy: 1.32398693707258
Energy: 1.3336942891840373
Energy: 1.306236204437342
Energy: 1.2472624258357699
Energy: 1.6250331444033286
Energy: 1.301258853376815
Energy: 1.3060123056379183
Energy: 1.3603251412655037
Energy: 1.3038037709289751
Energy: 1.3251294218419276
Energy: 1.4935106165166958
Energy: 1.279073957493643
Energy: 1.3830909193579193
Energy: 1.353456685820855
Energy: 1.3075152661869796
Energy: 1.2760653405605011
Energy: 1.7371764810574513
Energy: 1.2722676685097751
Energy: 1.3520047932899957
Energy: 1.3629833475313777
Energy: 1.2881089288000271
Energy: 1.2676564024940102
Energy: 1.8543360166165708
Energy: 1.2896704441500757
Energy: 1.3302166913972202
Energy: 1.334085385733365
Energy: 1.2931443441126191
Energy: 1.3240336709989347
Energy: 1.8092418164375532
Energy: 1.2882413350607735
Energy: 1.298928497935951
Energy: 1.344075213505772
Energy: 1.285364376313654
Energy: 1.3329828474977587
Energy: 1.8963750105954051
Energy: 1.3077103355832624
Energy: 1.3011983580037372
Energy: 1.3407979601013127
Energy: 1.2825316083188751
Energy: 1.313737750248418
Energy: 2.0936374915709854
Energy: 1.3405074613553472
Energy: 1.2708520134084178
Energy: 1.286570751017655
Energy: 1.270483570765531
Energy: 1.3541625944626623
Energy: 1.802950752362709
Energy: 1.3056191873338565
Energy: 1.2693616011107776
Energy: 1.3121951174177837
Energy: 1.2767050043536783
Energy: 1.4108521194942643
Energy: 2.0983946385720516
Energy: 1.2898919256717605
Energy: 1.2805827199615687
Energy: 1.3991306336128913
Energy: 1.3319223193521887
Energy: 1.3160640029611883
Energy: 2.252345661601645
Energy: 1.3122237114645845
Energy: 1.2811581002391352
Energy: 1.2786168630440828
Energy: 1.280285713031266
Energy: 1.3092165103605917
Energy: 2.154588934909271
Energy: 1.263696726739195
Energy: 1.2165168843391914
Energy: 1.2497592679443208
Energy: 1.240421870952539
Energy: 1.3212652469247441
Energy: 2.1471166839327607
Energy: 1.3894180834826944
Energy: 1.1600465822776553
Energy: 1.1646173418382348
Energy: 1.2323728709091764
Energy: 1.312822323022199
Energy: 2.2463971001568868
Energy: 1.286556833245573
Energy: 1.1732515407555488
Energy: 1.179627413825463
Energy: 1.1766755306654713
Energy: 1.3112120590089205
Energy: 2.2776437828816065
Energy: 1.1845247941810557
Energy: 1.1785425028194891
Energy: 1.1273815708242614
Energy: 1.1668527044927615
Energy: 1.2876917232920175
Energy: 2.2179331103989313
Energy: 1.1897442626733554
Energy: 1.0264025006855186
Energy: 1.0321188667464398
Energy: 1.1564922995211324
Energy: 1.3184156471395252
Energy: 2.2665611170286106
Energy: 1.1590043706173845
Energy: 1.1152041655104745
Energy: 1.0329338820661076
Energy: 1.1554163886733133
Energy: 1.3294039622533749
Energy: 2.2550708387340714
Energy: 1.2605297671982132
Energy: 1.0484662730251244
Energy: 1.0365304954023682
Energy: 1.1387503774083558
Energy: 1.2833238167447045
Energy: 2.2614959686405958
Energy: 1.1559775199377174
Energy: 1.0762770931694519
Energy: 1.0320354941154761
Energy: 1.179126057336345
Energy: 1.312865416503389

minimum gb energy = 1.0264025006855186 eV
minimum distance =  2.22617642829453 Angstroms
sigma value = 67


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

Energy: 0.3392700707914524
Energy: 0.3397213446550534
Energy: 0.6730309276356775
Energy: 0.6743095925534137
Energy: 0.688738637410699
Energy: 0.3395540940857322
Energy: 0.3415058955867718
Energy: 0.5317980527210416
Energy: 0.5730955219438373
Energy: 0.5693058201626354
Energy: 0.5019984490498559
Energy: 0.5551521183812166
Energy: 1.6071695865943953
Energy: 0.522100818764243
Energy: 0.5170294851074299
Energy: 0.5284711516396263
Energy: 0.5244512263291216
Energy: 0.5402921544661635
Energy: 0.34905719840461485
Energy: 0.5178509214765138
Energy: 0.5873281814262516
Energy: 0.520807910139352
Energy: 0.5305563011583121
Energy: 0.34836996579851215
Energy: 0.3483508728063263
Energy: 0.5460129836635338
Energy: 0.5199899203794448
Energy: 0.49858295406501324
Energy: 0.5155160931953385
Energy: 0.3482689991103573
Energy: 1.6174962242872954
Energy: 0.5278080797000029
Energy: 0.6733524852109649
Energy: 0.5164964341685432
Energy: 0.5145655842702305
Energy: 0.5215605800169869
Energy: 0.3486408095371952
Energy: 0.5624854989133243
Energy: 0.5172956326352645
Energy: 0.5340939901433225
Energy: 0.5416079523107595
Energy: 0.5436625795574225

minimum gb energy = 0.3392700707914524 eV
minimum distance =  2.30931342427267 Angstroms
sigma value = 3


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

Energy: 2.306614886387725
Energy: 1.190598913098988
Energy: 1.1923539969029384
Energy: 1.1543367006905503
Energy: 1.3068464431189446
Energy: 1.366650461589083
Energy: 2.235879412661254
Energy: 1.1138294083437619
Energy: 0.9971600845300649
Energy: 0.957030815267872
Energy: 0.9894331333410553
Energy: 1.275250433679421
Energy: 2.1539712457544744
Energy: 1.069966709583718
Energy: 0.9828004677946104
Energy: 0.9837644431875969
Energy: 0.9896536490521204
Energy: 1.2181052853621497
Energy: 2.425956448531141
Energy: 1.1520820181766656
Energy: 1.0161310355440272
Energy: 0.9728559218736457
Energy: 0.9942363554001827
Energy: 1.279812728022302
Energy: 2.427375423202351
Energy: 1.1657213886693394
Energy: 1.1087437733584693
Energy: 1.1009307066254332
Energy: 1.1063956525264562
Energy: 1.2432859771237172
Energy: 2.169477333112804
Energy: 1.2232087925338977
Energy: 1.0922467135840337
Energy: 1.1155703116798177
Energy: 1.1203833200534412
Energy: 1.2658582292300466
Energy: 2.161033547328528
Energy: 1.2772544008141846
Energy: 1.1014764605423295
Energy: 1.1067857831394512
Energy: 1.1217332060233378
Energy: 1.2511427858848363
Energy: 2.135870027946517
Energy: 1.2544612158174462
Energy: 1.2613749267079186
Energy: 1.129872254562818
Energy: 1.2435410389085721
Energy: 1.3288123530040754
Energy: 2.154129728525298
Energy: 1.2761854105502795
Energy: 1.2407790102745875
Energy: 1.2699456564441325
Energy: 1.2475690743675711
Energy: 1.2546546737292184
Energy: 2.153648605821812
Energy: 1.330227871263217
Energy: 1.2366378518317631
Energy: 1.2429961807098886
Energy: 1.2416821360904535
Energy: 1.3263504691702666
Energy: 2.0995913440495144
Energy: 1.3065069444750046
Energy: 1.274476279527281
Energy: 1.3820821802257452
Energy: 1.3045837521709924
Energy: 1.329534046128171
Energy: 2.096197377872454
Energy: 1.321570194359468
Energy: 1.2881060166820262
Energy: 1.4271753749153657
Energy: 1.28489342933275
Energy: 1.3466822068548587
Energy: 1.9926398663774239
Energy: 1.320368616226483
Energy: 1.28801454760208
Energy: 1.2960150982757592
Energy: 1.2866980878284895
Energy: 1.3260493048295265
Energy: 2.003708010685352
Energy: 1.316178527448227
Energy: 1.3068032370237754
Energy: 1.3313093517293553
Energy: 1.3427209917460212
Energy: 1.3264052819503753
Energy: 1.7841758303602486
Energy: 1.3082130350206942
Energy: 1.32193573734703
Energy: 1.3574823601586608
Energy: 1.3043771514180962
Energy: 1.3367453155349442
Energy: 1.7067957447996107
Energy: 1.3176905398659506
Energy: 1.3157548876157967
Energy: 1.351056025659858
Energy: 1.3114415725491095
Energy: 1.325886882178443
Energy: 1.667188526520463
Energy: 1.3137659820568548
Energy: 1.326754405969119
Energy: 1.31364210766851
Energy: 1.3197452591445744
Energy: 1.2874273798719102
Energy: 1.7143637671219714
Energy: 1.2888535508974257
Energy: 1.3141683568110787
Energy: 1.3683071276073764
Energy: 1.3047086694115404
Energy: 1.2957958429504848
Energy: 1.6897475706453948
Energy: 1.2793189922739383
Energy: 1.2986249643120114
Energy: 1.3152572378782768
Energy: 1.3007741479118575
Energy: 1.2988031060622058
Energy: 1.3989010577283254
Energy: 1.244607899063371
Energy: 1.3212676984707765
Energy: 1.3281361729953696
Energy: 1.3110008249068525
Energy: 1.2500071109275859
Energy: 1.377611755055311
Energy: 1.2101644155073363
Energy: 1.3206400158237808
Energy: 1.3294684367676577
Energy: 1.2369742932564283
Energy: 1.205743067050707
Energy: 1.4305192559000568
Energy: 1.211960920844187
Energy: 1.3018545109516029
Energy: 1.5378159958776871
Energy: 1.212341832965587
Energy: 1.207665217159562
Energy: 1.1870406110069003
Energy: 1.2040423263546216
Energy: 1.2898310948366674
Energy: 1.320911048986747
Energy: 1.2033298376957289
Energy: 1.204629130261403
Energy: 1.1448244868350579
Energy: 1.178254687769152
Energy: 1.2599419795284843
Energy: 1.271022682723657
Energy: 1.256000869526765
Energy: 1.164229593742138
Energy: 1.1902550642773828
Energy: 1.1671880049646965
Energy: 1.230260963817066
Energy: 1.3316443829502913
Energy: 1.1535664640525023
Energy: 1.1597311000222648
Energy: 1.1512418747790039
Energy: 1.1562137230739644
Energy: 1.2120358311371573
Energy: 1.3072670956363759
Energy: 1.2295422972701433
Energy: 1.1396456927513998
Energy: 1.039137080532206
Energy: 1.0444059696751835
Energy: 1.242667601781757
Energy: 1.3207427659872033
Energy: 1.2618009051558268
Energy: 1.0238157023717165
Energy: 1.0499609200128195
Energy: 1.065185687340769
Energy: 1.2273224906105378
Energy: 1.318725477794631
Energy: 1.0425750555811673
Energy: 1.0597980690425917
Energy: 1.0399820526268937
Energy: 1.0436392479772425
Energy: 1.0706838416339677
Energy: 1.2900272227739187
Energy: 1.0522683453498383
Energy: 1.0609713161622814
Energy: 1.1391649381112645
Energy: 1.0666516168419211
Energy: 1.2572122447882157
Energy: 1.3300712998298299
Energy: 1.0864488165492243
Energy: 1.0641161930583212
Energy: 1.1387743239913088
Energy: 1.0889889397258583
Energy: 1.2371102393864761
Energy: 1.347606052898259
Energy: 1.0919028457583875
Energy: 1.0764644752445929
Energy: 1.104694098978735
Energy: 1.0784763027256383
Energy: 1.268714080982994
Energy: 1.3151685149489392
Energy: 1.076368197215063
Energy: 1.0732330663755787
Energy: 1.1229477410760131
Energy: 1.0810671820282123
Energy: 1.307111933920608
Energy: 1.3362676459022864
Energy: 1.2508983349374259
Energy: 1.065051709843385
Energy: 1.3745497361086094
Energy: 1.2320560834405487
Energy: 1.2986192474585663
Energy: 1.2969974558034645
Energy: 1.2775509091662431
Energy: 1.229894059631522
Energy: 1.4046819975049927
Energy: 1.240178694513378
Energy: 1.2701391860556537
Energy: 1.4118255457336728
Energy: 1.2656165536004167
Energy: 1.2381065756912397
Energy: 1.3698323625902313
Energy: 1.2574640921833744
Energy: 1.3270749453046757
Energy: 1.2964590740188815
Energy: 1.3045516134520767
Energy: 1.2499904427919915
Energy: 1.5643016547148119
Energy: 1.282768721405574
Energy: 1.3319130008250128
Energy: 1.3277987507911801
Energy: 1.3278066974756237
Energy: 1.2905857325880947
Energy: 1.620979378985398
Energy: 1.2851723508766049
Energy: 1.3666476903582099
Energy: 1.5173846589579667
Energy: 1.3033632744765826
Energy: 1.300078144338906
Energy: 1.6672902708165105
Energy: 1.283342030050336
Energy: 1.3249137692788073
Energy: 1.3932822852548166
Energy: 1.328696590321602
Energy: 1.2903233116668729
Energy: 1.6935268082640564
Energy: 1.3168549951024324
Energy: 1.3220677395025204
Energy: 1.3295308251936302
Energy: 1.310660958090202
Energy: 1.3319862086447516
Energy: 1.934815450123518
Energy: 1.3141495402381027
Energy: 1.3112858048372351
Energy: 1.3578772146177607
Energy: 1.3062842259206484
Energy: 1.3262444911771614
Energy: 1.9318056431440453
Energy: 1.313313050551166
Energy: 1.332365626627715
Energy: 1.3812865210239182
Energy: 1.3056325519111471
Energy: 1.3296925299724949
Energy: 1.987566132919684
Energy: 1.3201512323418876
Energy: 1.2895769649375117
Energy: 1.2947941326538843
Energy: 1.28900140156863
Energy: 1.3191843090739586
Energy: 2.00897234754495
Energy: 1.3205433588381614
Energy: 1.2976062679311322
Energy: 1.3245528593607523
Energy: 1.285880404637507
Energy: 1.3335965832852745
Energy: 1.9591615509636797
Energy: 1.3346429872688133
Energy: 1.2898417720003978
Energy: 1.3335561060330816
Energy: 1.2930785881222737
Energy: 1.3721775181275015
Energy: 2.1492276938930517
Energy: 1.3200536894096582
Energy: 1.2518315056584697
Energy: 1.3287612335820393
Energy: 1.258344491095295
Energy: 1.30742003667713
Energy: 2.1371051489388297
Energy: 1.2957577150597588
Energy: 1.2399552688216589
Energy: 1.268561346776587
Energy: 1.2576178081582736
Energy: 1.3425618372405903
Energy: 2.2708015096297665
Energy: 1.285442901999117
Energy: 1.2397651517074582
Energy: 1.3843346447771845
Energy: 1.256154019840395
Energy: 1.28623920798445
Energy: 2.266173666828358
Energy: 1.3004537187092065
Energy: 1.1107816804748076
Energy: 1.105903507346443
Energy: 1.1390110508618176
Energy: 1.2580122144587342
Energy: 2.164272639324827
Energy: 1.1980431971786887
Energy: 1.1004768159314116
Energy: 1.1062796201571519
Energy: 1.096085743862994
Energy: 1.2559656708030005
Energy: 2.440373182820318
Energy: 1.1117024781920608
Energy: 1.113139558170006
Energy: 1.112369821396746
Energy: 1.126702057793324
Energy: 1.2334978683789328

minimum gb energy = 0.957030815267872 eV
minimum distance =  2.21806320436071 Angstroms
sigma value = 81


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

Energy: 2.365960956107786
Energy: 1.3993847886513133
Energy: 1.3021478980648507
Energy: 1.2698714058032219
Energy: 1.4280108333629709
Energy: 1.5516897584173548
Energy: 1.8345606235779728
Energy: 1.2563720010627315
Energy: 1.0731537893552694
Energy: 1.0897576063264416
Energy: 1.0941806335414432
Energy: 1.421546726301878
Energy: 1.8742173186422486
Energy: 1.2319618648109698
Energy: 1.1110950587314885
Energy: 1.0972552111850198
Energy: 1.07322709934338
Energy: 1.3854856644099316
Energy: 1.8561540571496729
Energy: 1.2202547206612138
Energy: 1.0649517160667628
Energy: 1.065697098217835
Energy: 1.0693950350137247
Energy: 1.4435433453891677
Energy: 2.2980784914185444
Energy: 1.2380835794477902
Energy: 1.2575738840039143
Energy: 1.2801805384880085
Energy: 1.2378499929647802
Energy: 1.4335966663870219
Energy: 1.8706249844164495
Energy: 1.4073916779805702
Energy: 1.2452087584264475
Energy: 1.266841355661669
Energy: 1.225106168951007
Energy: 1.4959522094734687
Energy: 1.864875095932281
Energy: 1.448618786974478
Energy: 1.2275003831765385
Energy: 1.2398710634979675
Energy: 1.2333554620696774
Energy: 1.440401553004043
Energy: 2.1443207311504815
Energy: 1.4243651416161334
Energy: 1.4394296977494072
Energy: 1.2981373455050764
Energy: 1.4423728740417705
Energy: 1.501517011968191
Energy: 1.8566693638279563
Energy: 1.4293244892732309
Energy: 1.4266587327686358
Energy: 1.4363024100559456
Energy: 1.4497663079839078
Energy: 1.4439644627357564
Energy: 1.8644493947324667
Energy: 1.5154519340011057
Energy: 1.4176792187621692
Energy: 1.4556725967013424
Energy: 1.4206040818525882
Energy: 1.4882570030064528
Energy: 1.6824867682590807
Energy: 1.479131389056577
Energy: 1.4572730302782835
Energy: 1.6229555646703546
Energy: 1.463875901401078
Energy: 1.469886559728183
Energy: 2.0855928270735062
Energy: 1.4711600700255265
Energy: 1.465240724736756
Energy: 1.6753723963404032
Energy: 1.4599669039402197
Energy: 1.473383199749093
Energy: 1.6530447027341941
Energy: 1.4691215197116405
Energy: 1.4717750091120934
Energy: 1.7843578277268113
Energy: 1.4726714607103144
Energy: 1.5094222139883848
Energy: 1.6343117233892528
Energy: 1.4143977673404868
Energy: 1.467208181695464
Energy: 1.5144124601987545
Energy: 1.4250457200573103
Energy: 1.4285142145734
Energy: 1.6775703769848724
Energy: 1.4188931707751902
Energy: 1.44692281404105
Energy: 1.5344953945466082
Energy: 1.4527455417311659
Energy: 1.439946544454803
Energy: 1.2837740763142824
Energy: 1.4483130517450469
Energy: 1.490467943848455
Energy: 1.5010566043998583
Energy: 1.4409095848547568
Energy: 1.4754622486175528
Energy: 1.2187509861184183
Energy: 1.240929777551958
Energy: 1.4391706429402582
Energy: 1.5126629239778289
Energy: 1.4681813360642726
Energy: 1.2206566500042173
Energy: 1.264989971576319
Energy: 1.2406589861673156
Energy: 1.3952959633339874
Energy: 1.4631972080621347
Energy: 1.2297531876596075
Energy: 1.242338867346674
Energy: 1.2481846948031061
Energy: 1.2258397937534649
Energy: 1.3819972999966617
Energy: 1.4944249649197552
Energy: 1.239720578359608
Energy: 1.2271075458136171
Energy: 1.0885809503502006
Energy: 1.0749432523182723
Energy: 1.3911903364802531
Energy: 1.4729741206566502
Energy: 1.226223903377347
Energy: 1.0615788829091186
Energy: 1.089197583220949
Energy: 1.0914586093776373
Energy: 1.411412712999487
Energy: 1.4965826361279988
Energy: 1.0699056179518147
Energy: 1.1013743050562388
Energy: 1.0636676953218762
Energy: 1.0761145689297194
Energy: 1.28220870026267
Energy: 1.4835436766729364
Energy: 1.2661481569227082
Energy: 1.0672718351605386
Energy: 1.2716299711184247
Energy: 1.239407681061314
Energy: 1.4747315375044356
Energy: 1.5151066541551077
Energy: 1.236729469238111
Energy: 1.0718869260181412
Energy: 1.2695236407216872
Energy: 1.2387208799143754
Energy: 1.2279011790082854
Energy: 1.4659918812356278
Energy: 1.2454902000638597
Energy: 1.2628043501769795
Energy: 1.248121875985093
Energy: 1.2216168380239616
Energy: 1.4486937853669108
Energy: 1.519136321579852
Energy: 1.220292403349141
Energy: 1.2486793792208508
Energy: 1.273832881478463
Energy: 1.3036585030581131
Energy: 1.4450089154136936
Energy: 1.473108360616818
Energy: 1.4477442585923366
Energy: 1.2433489541608875
Energy: 1.646262861284114
Energy: 1.4332457747994454
Energy: 1.445896314795427
Energy: 1.699223478197887
Energy: 1.44529735613229
Energy: 1.4471076799650493
Energy: 1.4680210572656172
Energy: 1.4221007120569664
Energy: 1.4523892450555187
Energy: 1.6421834629462184
Energy: 1.4302893885466124
Energy: 1.4369904394405493
Energy: 1.6380000853436594
Energy: 1.4386884304921388
Energy: 1.4728600216997778
Energy: 1.4798615887096078
Energy: 1.4617470081627846
Energy: 1.4348279437605156
Energy: 1.6837016262207987
Energy: 1.4769402593450116
Energy: 1.4831903757130354
Energy: 1.4661259142087664
Energy: 1.516650727987562
Energy: 1.4825385090413035
Energy: 1.8921678776265023
Energy: 1.4880929803986602
Energy: 1.4734829929252704
Energy: 1.4903622089493251
Energy: 1.4710216855758858
Energy: 1.4715232671108163
Energy: 2.0624808783641404
Energy: 1.4748174056434054
Energy: 1.4521356011752684
Energy: 1.4798931974771135
Energy: 1.452845714346187
Energy: 1.5329549992979643
Energy: 1.8735830373571152
Energy: 1.4493778329286384
Energy: 1.421561695614472
Energy: 1.4608256303809828
Energy: 1.4260889021075276
Energy: 1.4937311886828393
Energy: 2.2883825602203207
Energy: 1.4517479790795977
Energy: 1.4308421837840717
Energy: 1.6425083698880056
Energy: 1.4379597733550602
Energy: 1.4548071830781006
Energy: 1.9059071176976237
Energy: 1.4477844532366424
Energy: 1.2630115850159722
Energy: 1.2600875246918448
Energy: 1.3074464033611344
Energy: 1.4734680497842847
Energy: 1.8724275614084265
Energy: 1.4444626299099845
Energy: 1.228442330423755
Energy: 1.2410226766469943
Energy: 1.2328804853858077
Energy: 1.445368027439343
Energy: 1.8694031617134028
Energy: 1.251347939405828
Energy: 1.2427992684669025
Energy: 1.2701437636080428
Energy: 1.2365348787729264
Energy: 1.3820333720821059
Energy: 2.3999636436963203
Energy: 1.2210017642451358
Energy: 1.2352634395152657
Energy: 1.0637917631501392
Energy: 1.2492747104248518
Energy: 1.5079950567292741

minimum gb energy = 1.0615788829091186 eV
minimum distance =  2.22096979803671 Angstroms
sigma value = 43


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

Energy: 2.336771416932911
Energy: 1.5087156735812834
Energy: 1.1618225546259462
Energy: 1.3870214389830322
Energy: 1.348415668496812
Energy: 1.6236921735340952
Energy: 1.8484763805245394
Energy: 1.3747076011745012
Energy: 1.1494728089063904
Energy: 1.171575718239315
Energy: 1.1522718935584522
Energy: 1.4818952450218092
Energy: 1.6255589104117296
Energy: 1.2772153507805417
Energy: 1.1625680770025055
Energy: 1.1613534854433305
Energy: 1.1564983650267338
Energy: 1.5295322128624276
Energy: 1.9744426016358974
Energy: 1.3619498611336731
Energy: 1.1422877101475721
Energy: 1.1584507598988316
Energy: 1.1633086010127585
Energy: 1.55243091051819
Energy: 1.9785428543415833
Energy: 1.3594834894307715
Energy: 1.351992701693283
Energy: 1.3932819550415565
Energy: 1.3352054918706557
Energy: 1.5431504412224062
Energy: 2.0031799222411792
Energy: 1.3576400039777097
Energy: 1.367304952096143
Energy: 1.3935160256654557
Energy: 1.3690050005489862
Energy: 1.5663583625632873
Energy: 1.8467453649765484
Energy: 1.5542760408507557
Energy: 1.3632964641661534
Energy: 1.381810811653174
Energy: 1.3579425752188097
Energy: 1.5576933680015133
Energy: 2.0653535884478735
Energy: 1.5645138948496826
Energy: 1.577834697978493
Energy: 1.2640616863509349
Energy: 1.5746267584380769
Energy: 1.560671513630186
Energy: 1.620590254572232
Energy: 1.5666623796785162
Energy: 1.570756870104846
Energy: 1.598123100878663
Energy: 1.5688067492227937
Energy: 1.5738640503316987
Energy: 1.8735786519027793
Energy: 1.5033046414340157
Energy: 1.5497344057688236
Energy: 1.7437622286467998
Energy: 1.5076513288667557
Energy: 1.5083571745644413
Energy: 1.8814615972728095
Energy: 1.5172897865509056
Energy: 1.5255848068339042
Energy: 1.713484354693587
Energy: 1.5307322946346242
Energy: 1.527652403347499
Energy: 1.8788468230408018
Energy: 1.50877130093789
Energy: 1.5282227234030963
Energy: 1.6670607464792913
Energy: 1.52157755092214
Energy: 1.514322569199186
Energy: 1.484762400764039
Energy: 1.5061657184837058
Energy: 1.5879996241170924
Energy: 1.5780889334193828
Energy: 1.515539843902934
Energy: 1.466143965709269
Energy: 1.4779201265028545
Energy: 1.4369367623417317
Energy: 1.5071024128640507
Energy: 1.6010160099789865
Energy: 1.4270660677968057
Energy: 1.4392214429443169
Energy: 1.5095122561671805
Energy: 1.4596896183063002
Energy: 1.5382061997961547
Energy: 1.600122814503538
Energy: 1.4400445681284204
Energy: 1.4495954514524614
Energy: 1.2528191261307189
Energy: 1.434723684592901
Energy: 1.5106351627878738
Energy: 1.6101461128190928
Energy: 1.5320677261237734
Energy: 1.4444289199027973
Energy: 1.266446428216952
Energy: 1.2628332570010423
Energy: 1.515760246277659
Energy: 1.6177536310413212
Energy: 1.254383419653961
Energy: 1.2623609647184488
Energy: 1.2884732406463903
Energy: 1.253564982676874
Energy: 1.2562197251505258
Energy: 1.5827138560022862
Energy: 1.2435884819995362
Energy: 1.275265193040629
Energy: 1.2674672683666028
Energy: 1.2978979454478363
Energy: 1.2777048507332665
Energy: 1.6374944899876758
Energy: 1.2728123089044674
Energy: 1.267899648576844
Energy: 1.3909265598278755
Energy: 1.283003228843268
Energy: 1.278790135719574
Energy: 1.5511621606947184
Energy: 1.279617572168987
Energy: 1.2908905104048007
Energy: 1.405120562165519
Energy: 1.2913828599628174
Energy: 1.2908283993845286
Energy: 1.6372475978493155
Energy: 1.284570844299223
Energy: 1.3133773545717802
Energy: 1.3935792502666922
Energy: 1.2979560857204016
Energy: 1.5440207725686346
Energy: 1.6061013410881864
Energy: 1.340230302748551
Energy: 1.2808227688929636
Energy: 1.411599588297701
Energy: 1.3546509350604408
Energy: 1.5792934131931082
Energy: 1.601910820487986
Energy: 1.5703821730029088
Energy: 1.3532088325929126
Energy: 1.7340690310880722
Energy: 1.5637062711346021
Energy: 1.5663572109657466
Energy: 1.5785204312030336
Energy: 1.565877127596756
Energy: 1.5760490554122653
Energy: 1.8656804921659462
Energy: 1.5441399467430013
Energy: 1.5866793490918851
Energy: 1.6147330269692342
Energy: 1.5720568939178983
Energy: 1.5474026592807435
Energy: 1.8538922288727466
Energy: 1.5741983284798158
Energy: 1.5788192432859507
Energy: 1.615954474304751
Energy: 1.563699880156141
Energy: 1.5628128835993302
Energy: 1.9803648962778286
Energy: 1.5692789581106772
Energy: 1.5626153256711313
Energy: 1.651863641604777
Energy: 1.5668891550424244
Energy: 1.5827262559972124
Energy: 1.9821484855134979
Energy: 1.5825705975834485
Energy: 1.4035047003027314
Energy: 1.3901038549173075
Energy: 1.4994922333178708
Energy: 1.596328540404001
Energy: 2.002787087950022
Energy: 1.5535429609946871
Energy: 1.3416119168898843
Energy: 1.3732297698795364
Energy: 1.3643439188450253
Energy: 1.5813439242130556
Energy: 1.8464143969856266
Energy: 1.348524923122277
Energy: 1.383310176367413
Energy: 1.389859266257614
Energy: 1.3711521933168553
Energy: 1.5272461400366601
Energy: 2.330171075337378
Energy: 1.3437421924080981
Energy: 1.3489751644161352
Energy: 1.1620259243388957
Energy: 1.3506022243810725
Energy: 1.4280748162311907

minimum gb energy = 1.1422877101475721 eV
minimum distance =  2.21862306222289 Angstroms
sigma value = 57


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

Energy: 2.08840023357944
Energy: 1.7616656466896357
Energy: 1.518235238348578
Energy: 1.4994392789768305
Energy: 1.4733939166511374
Energy: 1.7829671431167393
Energy: 1.8689296264207522
Energy: 1.5102020596754462
Energy: 1.2632969333892292
Energy: 1.2492615174998034
Energy: 1.295563231825878
Energy: 1.6990805182970243
Energy: 1.5564990573683024
Energy: 1.5451882824509486
Energy: 1.2661531532737702
Energy: 1.2499694332257347
Energy: 1.2830965820024334
Energy: 1.5441356988459576
Energy: 1.8511991766878477
Energy: 1.4837823879300742
Energy: 1.2583835297946457
Energy: 1.2347624024013972
Energy: 1.3351590509878741
Energy: 1.696901150586538
Energy: 1.841904539616149
Energy: 1.5592711147999279
Energy: 1.4858545061045154
Energy: 1.2348744267192222
Energy: 1.4908610734237584
Energy: 1.69378020470194
Energy: 1.8429744863847806
Energy: 1.5174242207298356
Energy: 1.5014369109544554
Energy: 1.5562249917258704
Energy: 1.4983706758988098
Energy: 1.7445366521836556
Energy: 1.8620532422520797
Energy: 1.707194547687537
Energy: 1.4865194658970873
Energy: 1.2584668222709139
Energy: 1.5119236586480633
Energy: 1.706323968771672
Energy: 1.6102477414982515
Energy: 1.7347484877773083
Energy: 1.7235331164986933
Energy: 1.2391133920570905
Energy: 1.7528049992184036
Energy: 1.7781236457946976
Energy: 1.5481940324837067
Energy: 1.7307218174717733
Energy: 1.682532519315269
Energy: 1.8326645432566353
Energy: 1.726032549160325
Energy: 1.7224014419648148
Energy: 1.5210791458311714
Energy: 1.508770340936181
Energy: 1.7221043584573261
Energy: 1.8602165102071364
Energy: 1.714571153077706
Energy: 1.4909022879875404
Energy: 1.599608720190731
Energy: 1.4935802405182534
Energy: 1.6829621849460639
Energy: 1.822718760274218
Energy: 1.5251110677242137
Energy: 1.4893084259584943
Energy: 1.5458810544346384
Energy: 1.501205041384697
Energy: 1.4889851392594002
Energy: 1.791147852146561
Energy: 1.5044741544389684
Energy: 1.4800154205306868
Energy: 1.2481902935983813
Energy: 1.259956562525969
Energy: 1.7123700073229757
Energy: 1.6863609136717108
Energy: 1.491239698159922
Energy: 1.2449968414142083
Energy: 1.2652088533350219
Energy: 1.2704027903606698
Energy: 1.4841283563309913
Energy: 1.8349354816023047
Energy: 1.2441182305874439
Energy: 1.2652284514898495
Energy: 1.2309280941921967
Energy: 1.2816975243925957
Energy: 1.5091155866580923
Energy: 1.8724047353317466
Energy: 1.2469118795161132
Energy: 1.2655196779392783
Energy: 1.2604071216976505
Energy: 1.277660617818147
Energy: 1.692085796838969
Energy: 1.7451562700040129
Energy: 1.4913475493040995
Energy: 1.276570816149106
Energy: 1.5667457335742319
Energy: 1.5074940593169883
Energy: 1.4956618399009363
Energy: 1.5103603777422379
Energy: 1.512290750865049
Energy: 1.4958354871718051
Energy: 1.5501418727890977
Energy: 1.4996519666963937
Energy: 1.5906295666230859
Energy: 1.5370072579360612
Energy: 1.4860223136213047
Energy: 1.4971444803863516
Energy: 1.254516116961136
Energy: 1.5133740815922945
Energy: 1.714603465318908
Energy: 1.8008313171972525
Energy: 1.7258583392223836
Energy: 1.5351954308958453
Energy: 1.5429656613553284
Energy: 1.7161971076222218
Energy: 1.705471041774298
Energy: 1.8742500510137823
Energy: 1.722530329937114
Energy: 1.7218282552303337
Energy: 1.953221217171876
Energy: 1.706702803735074
Energy: 1.51955484874843
Energy: 1.536302639074837
Energy: 1.5275018973743204
Energy: 1.6755101766266645
Energy: 1.543716353126089
Energy: 1.7219729576032277
Energy: 1.4944158459553964
Energy: 1.537270333355536
Energy: 1.504172238267378
Energy: 1.708185238329898
Energy: 1.866357717476609
Energy: 1.5146938589452803
Energy: 1.5053804148486443
Energy: 1.5547036898377766
Energy: 1.5572929480229982
Energy: 1.6847144368717852
Energy: 1.836938734745766
Energy: 1.5014910084009698
Energy: 1.4848694940847147
Energy: 1.2737493452198794
Energy: 1.502652296543971
Energy: 1.7060817423929673

minimum gb energy = 1.2309280941921967 eV
minimum distance =  2.22704903229136 Angstroms
sigma value = 17


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

Energy: 2.586979740993413
Energy: 1.950852483603033
Energy: 1.6474186792910364
Energy: 1.5990207220599981
Energy: 1.8850503507152143
Energy: 1.949150047431432
Energy: 1.3467772042474269
Energy: 1.6747236564982226
Energy: 1.3846635802549148
Energy: 1.360591118393526
Energy: 1.3830274245032814
Energy: 1.9047699305423151
Energy: 1.3669191529198081
Energy: 1.40494510065003
Energy: 1.3790627907800954
Energy: 1.3995217871213597
Energy: 1.4562156306189353
Energy: 1.7046102904592422
Energy: 1.9260313825543498
Energy: 1.6667467134427425
Energy: 1.3885769799458634
Energy: 1.3894043168878478
Energy: 1.3973901779385558
Energy: 1.6556322748329189
Energy: 1.9225806909372891
Energy: 1.6727123819880478
Energy: 1.6478455179518852
Energy: 1.3612784283572126
Energy: 1.658153499606937
Energy: 1.7094858274295954
Energy: 1.3632095088942553
Energy: 1.496335348545198
Energy: 1.6573991061818873
Energy: 1.3592183651028387
Energy: 1.6611137252231032
Energy: 1.6759884602614523
Energy: 1.3486457321484042
Energy: 1.6539664731093675
Energy: 1.6563767475603537
Energy: 1.398404441009883
Energy: 1.460002870939611
Energy: 1.6474670223685923
Energy: 1.961212938193655
Energy: 1.6897554415489362
Energy: 1.7113188994332127
Energy: 1.3719680320255527
Energy: 1.7189393186510709
Energy: 1.6962684874008307
Energy: 1.3503312771103313
Energy: 1.6580456636303778
Energy: 1.8921359662937327
Energy: 1.8930442637987948
Energy: 1.6872440044878223
Energy: 1.6431384588366167
Energy: 1.370614802754731
Energy: 1.390553684228909
Energy: 1.6894749613041553
Energy: 1.6443804044415484
Energy: 1.3598261211675682
Energy: 1.392666062782152
Energy: 1.359733693707027
Energy: 1.4400146377114178
Energy: 1.6913540628347374
Energy: 1.355423748739864
Energy: 1.3546136644201323
Energy: 1.374650055494292
Energy: 1.3566137281926534
Energy: 1.392508896555302
Energy: 1.6642803103222727
Energy: 1.6907786031484144
Energy: 1.6721408461082745
Energy: 1.391321289664848
Energy: 1.3924165152822587
Energy: 1.656735418055556
Energy: 1.6786155573003794
Energy: 1.693030029034593
Energy: 1.657141622597754
Energy: 1.6966566158056506
Energy: 1.3589077105637841
Energy: 1.704308761043597
Energy: 1.6766185007973147
Energy: 1.3661885114476786
Energy: 1.708605547152963
Energy: 1.3628628400678156
Energy: 1.3984017518095628
Energy: 1.6495100981993382
Energy: 1.6581984788194433
Energy: 1.370482737427277
Energy: 1.4678471766173335
Energy: 1.6989704291135257
Energy: 1.3528993569027168
Energy: 1.5285363478822653
Energy: 1.7236346397396323
Energy: 1.6977378857269936
Energy: 1.7109144483394079
Energy: 1.3800688271272956
Energy: 1.3402417738414518
Energy: 1.6665908124885211
Energy: 1.6785883110475397
Energy: 1.3529505854072401
Energy: 1.7096685185082217
Energy: 1.8864667311369718

minimum gb energy = 1.3402417738414518 eV
minimum distance =  2.22802025507917 Angstroms
sigma value = 17


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

Energy: 2.9939472149719712
Energy: 1.8577571089000064
Energy: 1.4674083857156461
Energy: 1.5310843179596496
Energy: 1.9128312711809317
Energy: 2.104336707030074
Energy: 1.6957456008225746
Energy: 1.5125424089647317
Energy: 1.4638447339488567
Energy: 1.4330393042138607
Energy: 1.4799400679776225
Energy: 1.6956815508455063
Energy: 1.872209953857261
Energy: 1.6929537018153082
Energy: 1.4724182167011122
Energy: 1.4364666064029223
Energy: 1.485298529180143
Energy: 1.9113788558262375
Energy: 2.0959390689400297
Energy: 1.9485237930479353
Energy: 1.5284288113212272
Energy: 1.4782553834317658
Energy: 1.4765174594965522
Energy: 1.960035168476631
Energy: 2.055774358995266
Energy: 1.9369930571711123
Energy: 1.9545606255943584
Energy: 1.4762366075903721
Energy: 1.9321676027620018
Energy: 1.9638888664530922
Energy: 1.4690040424049882
Energy: 1.504915958095914
Energy: 1.930467255322229
Energy: 1.9693501496303623
Energy: 1.9704665627147704
Energy: 1.515124770453517
Energy: 1.4420843242999581
Energy: 1.4993841459616255
Energy: 1.9490026946031704
Energy: 1.8900743785292107
Energy: 1.5349731361265913
Energy: 1.4700400954312562
Energy: 1.4394774770433014
Energy: 1.4908473584903743
Energy: 1.6990946630061823
Energy: 1.461614294725893
Energy: 1.4635916791809138
Energy: 1.4815644311146108
Energy: 1.4461033062049415
Energy: 1.4914193828979005
Energy: 1.874730728722697
Energy: 1.9934702297972675
Energy: 1.6315744301663628
Energy: 1.4354960297266037
Energy: 1.6526199885358557
Energy: 1.6470168303121415
Energy: 1.646281434091688
Energy: 1.5818359360199248
Energy: 1.6616199256499726
Energy: 1.6311793786627158
Energy: 1.6791383162500972
Energy: 1.6400893592369583
Energy: 1.853710250205721
Energy: 1.6276919692959246
Energy: 1.6661073695014323
Energy: 1.6337670276149052
Energy: 1.6782345404248673
Energy: 1.6407986224972098
Energy: 1.8705507448294008
Energy: 1.902595010561458
Energy: 1.8599488638562054
Energy: 1.6572243418775667
Energy: 1.5905401890162767
Energy: 1.8747589855592628
Energy: 1.8575951730674982
Energy: 1.9881466384876383
Energy: 1.85799200197175
Energy: 1.8895284644563697
Energy: 2.3434970757228233
Energy: 1.9215462625242785
Energy: 1.6441258782965857
Energy: 1.438339717765032
Energy: 1.9206175819552023
Energy: 2.060564516298633
Energy: 1.772310954474162
Energy: 1.804328642930043
Energy: 1.4370879799709149
Energy: 1.4196681077624882
Energy: 1.4238888948040007
Energy: 1.893971384642902
Energy: 1.580457078377439
Energy: 1.4255779806523592
Energy: 1.4659199483017404
Energy: 1.4194972905533227
Energy: 1.4705246770206304
Energy: 1.9000308799070922
Energy: 2.0707349049072867
Energy: 1.8803881948807726
Energy: 1.4291048187508346
Energy: 1.420581655936153
Energy: 1.4619530287738918
Energy: 1.9662798363368663
Energy: 2.0714334039020894
Energy: 1.8650495506333327
Energy: 1.8582182555377242
Energy: 1.648274989092872
Energy: 1.8581888289113404
Energy: 1.9883219127109204
Energy: 1.712877480809195
Energy: 1.8273515028002794
Energy: 1.856910379347531
Energy: 1.8431145409463294
Energy: 1.8657897161987247
Energy: 1.6689633160567376
Energy: 1.6628380981869604
Energy: 1.6430557980246523
Energy: 1.8571609241999882
Energy: 2.0315639564673154
Energy: 1.8169000920567075
Energy: 1.6339219154192184
Energy: 1.6815361180126736
Energy: 1.6451603862772677
Energy: 1.646159205595828
Energy: 1.6837583152799545
Energy: 1.6656105037711961
Energy: 1.6420181560937697
Energy: 1.6681412501042427
Energy: 1.6376673964516373
Energy: 1.7801739825032343
Energy: 1.6574304625963363
Energy: 1.6826143117514922
Energy: 1.6330927065787546
Energy: 1.4257838131488791
Energy: 1.4698774918981168
Energy: 1.7000065768627688
Energy: 1.828944550575693
Energy: 1.458100243032403
Energy: 1.448027538541807
Energy: 1.4363215267003522
Energy: 1.46075846776681
Energy: 2.0006330129078362
Energy: 1.53285463673592
Energy: 1.4735003498772452
Energy: 1.4724990600923153
Energy: 1.4598481677228103
Energy: 1.4669679110770104
Energy: 1.9518264160877334
Energy: 1.9244232233569152
Energy: 1.748251466718364
Energy: 1.4830521681860578
Energy: 1.4994169511557616
Energy: 1.959834477993647
Energy: 1.9373923104093513
Energy: 1.9975241122399379
Energy: 1.950114901678667
Energy: 1.7475019756663412
Energy: 2.336247627704505
Energy: 1.9382269252522406
Energy: 1.9809194424563585
Energy: 1.4784963200519632
Energy: 1.9593040625584628
Energy: 1.9329230188602473
Energy: 2.2603988101743133
Energy: 1.9501143703523698
Energy: 1.475655185720223
Energy: 1.4598965785226166
Energy: 1.4462798827667607
Energy: 1.962098295100539
Energy: 1.7637880926943246
Energy: 1.5166018781049602
Energy: 1.5021603600375721
Energy: 1.4470591748293058
Energy: 1.4849572703630198
Energy: 2.018786766664066
Energy: 2.0699249909602
Energy: 1.6428773442320883
Energy: 1.4436530603243
Energy: 1.4309227021167974
Energy: 1.478886987821084
Energy: 1.8760137016663412
Energy: 2.0910088615683553
Energy: 1.6340318983354951
Energy: 1.6440128435443793
Energy: 1.6748646844612205
Energy: 1.6409607922627178
Energy: 1.9059729395731178
Energy: 1.5359352779710387
Energy: 1.652505838937081
Energy: 1.6565925612773713
Energy: 1.6547306202355685
Energy: 1.6820160390995094
Energy: 1.8970832326161444
Energy: 2.052534674391149
Energy: 1.8759909276693933
Energy: 1.6373273775601425
Energy: 1.6704465248419034
Energy: 1.6485016694480692
Energy: 1.867360987764534
Energy: 2.1506296996932392
Energy: 1.8509793684023401
Energy: 1.7249138846377652
Energy: 1.5815419283013878
Energy: 1.8667744315462615
Energy: 1.8557327206273153
Energy: 1.654666493514296
Energy: 1.864528821201947
Energy: 1.9572531089635683
Energy: 2.1804109731013965
Energy: 1.8754928238575856
Energy: 1.8748818764303468
Energy: 1.423295310023797
Energy: 1.4812438992746426
Energy: 1.8526366441340623
Energy: 2.179825534498964
Energy: 1.772207780766599
Energy: 1.423527724584113
Energy: 1.4158526324090208
Energy: 1.420973700426224
Energy: 1.9631515727743412
Energy: 1.579460653827023
Energy: 1.4536689539118062
Energy: 1.4619897474707397
Energy: 1.4186152669839183
Energy: 1.4557038785842038
Energy: 1.8717444660856344
Energy: 1.6452337077514116
Energy: 1.632959419147617
Energy: 1.4393463354961584
Energy: 1.629889362002662
Energy: 1.9000732508620324
Energy: 1.9848487925485663
Energy: 2.0293134313624592
Energy: 1.895351458986904
Energy: 1.636758010069527
Energy: 1.8704917578882716
Energy: 1.8456359995295206
Energy: 1.926218068418056
Energy: 1.7480600598142095
Energy: 1.9028102466951176
Energy: 1.8588096537025363
Energy: 2.0628295938698513
Energy: 1.8560342440489623
Energy: 1.6499601561943842
Energy: 1.6795665631024757
Energy: 1.6872344830581492
Energy: 1.8638504571315082
Energy: 1.6843611569205477
Energy: 1.6943078732135344
Energy: 1.6440964019607802
Energy: 1.6484413790520147
Energy: 1.6633791455770255
Energy: 1.8729428337888459
Energy: 1.880319441753511
Energy: 1.6428038807869303
Energy: 1.629586172080533
Energy: 1.655806525044978
Energy: 1.6477050854056572
Energy: 1.795613570102585

minimum gb energy = 1.4158526324090208 eV
minimum distance =  2.20714095977051 Angstroms
sigma value = 57


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

Energy: 2.4984719865107428
Energy: 1.9470946635945325
Energy: 1.7645643903518828
Energy: 1.7242397774668168
Energy: 2.076174303774351
Energy: 1.9504114278256635
Energy: 1.7133226479464223
Energy: 1.8089556135829106
Energy: 1.5281211241497115
Energy: 1.4801117297747648
Energy: 1.5544233854682814
Energy: 2.019446978366912
Energy: 1.7571915716259403
Energy: 1.786122543819381
Energy: 1.5072362047077386
Energy: 1.473693237625025
Energy: 1.5530607930388753
Energy: 2.0592264901947814
Energy: 2.0348951804900404
Energy: 1.9700985363993857
Energy: 1.5414220807930583
Energy: 1.5144928210749153
Energy: 1.7293924793345148
Energy: 1.937078533274779
Energy: 1.8523857077870427
Energy: 1.9489685419191822
Energy: 1.961589820735452
Energy: 2.007998292643394
Energy: 1.9468205128569942
Energy: 1.9641253323903984
Energy: 1.529982554486095
Energy: 1.5735490099758802
Energy: 1.973183928052055
Energy: 2.005378269745188
Energy: 1.9518047617977565
Energy: 1.558700682955593
Energy: 1.494953379716532
Energy: 1.5643349817002428
Energy: 1.9310956830489046
Energy: 2.000539998225462
Energy: 1.8621445898731457
Energy: 1.5197779396554711
Energy: 1.482405233530357
Energy: 1.5510669824825412
Energy: 1.738269241822544
Energy: 1.9003174323896397
Energy: 1.5670308943116176
Energy: 1.504670318360955
Energy: 1.507391158949656
Energy: 1.529562616038375
Energy: 2.0219135051916237
Energy: 1.9321943296426511
Energy: 1.705393016602812
Energy: 1.5181763556959917
Energy: 1.4916880435691289
Energy: 1.687517609294293
Energy: 1.7504992997117363
Energy: 1.6942908281760793
Energy: 1.7195627828199238
Energy: 1.6960915805453618
Energy: 1.6724203602235141
Energy: 1.7024424261971598
Energy: 1.8954472015231771
Energy: 2.016901089242761
Energy: 1.7207637948572103
Energy: 1.7140980457386847
Energy: 1.5141976674905764
Energy: 1.6994583248795831
Energy: 1.8258525711425069
Energy: 1.917534729168585
Energy: 1.8271757154071042
Energy: 1.6863716249418539
Energy: 1.5801005761997886
Energy: 1.9274458254603937
Energy: 1.8098876046391204
Energy: 1.925415561349737
Energy: 1.812028650630358
Energy: 2.035942008708729
Energy: 2.2266931927270788
Energy: 2.066875817855126
Energy: 1.636864122267283
Energy: 1.6155875108994646
Energy: 1.8930716911032
Energy: 2.0493414767827205
Energy: 1.5409191445002273
Energy: 1.934065503796328
Energy: 1.5992711323224298
Energy: 1.6033513243118283
Energy: 1.6310558239810842
Energy: 1.9512800161435784
Energy: 1.5278019492650647
Energy: 1.6806312512013866
Energy: 1.5949918793164801
Energy: 1.582975919616328
Energy: 1.6346534826825236
Energy: 2.0353449575482117
Energy: 2.0313890246037007
Energy: 1.88563838173942
Energy: 1.6181650959667018
Energy: 1.6282719488348554
Energy: 1.654081873748812
Energy: 1.9108215882811694
Energy: 1.4911650938088274
Energy: 1.8834372259661443
Energy: 1.9685730219124093
Energy: 1.511027850981886
Energy: 1.8959008903014145
Energy: 1.9206240051927472
Energy: 1.5267892603114874
Energy: 1.9372486689206125
Energy: 1.9682757199167802
Energy: 2.0147023380804185
Energy: 1.8847352945021894
Energy: 1.5619199932037657
Energy: 1.489617751189504
Energy: 1.5309539881898113
Energy: 1.919106840834403
Energy: 1.8616214899804098
Energy: 1.9823531756257375
Energy: 1.5080220624624066
Energy: 1.4901869506379806
Energy: 1.5603022890996427
Energy: 1.5586967899692372
Energy: 1.9178708797552009
Energy: 1.6210405599761681
Energy: 1.5221927020028303
Energy: 1.5053142366361791
Energy: 1.5516571849864988
Energy: 2.0169236970215496
Energy: 1.9977301066151267
Energy: 1.6647492727376916
Energy: 1.5255967253424798
Energy: 1.5984727776922831
Energy: 1.7563100622329875
Energy: 1.8178204193058938
Energy: 1.6547005575165858
Energy: 1.8021326829670465
Energy: 1.7543953866269044
Energy: 1.6799286027023408
Energy: 1.7471188805402578
Energy: 1.8142082701678375
Energy: 1.9082518018211836
Energy: 1.7606350708564142
Energy: 1.751489579815864
Energy: 1.8594470329753419
Energy: 1.776995529446158
Energy: 1.7626703449626997
Energy: 1.849784858554841
Energy: 1.7682199432714232
Energy: 1.7617439399229695
Energy: 1.5301327729134342
Energy: 1.8025789711857891
Energy: 1.742722278279821
Energy: 1.8222013104913326
Energy: 1.7544376422038341
Energy: 1.750243542972774
Energy: 2.0664485269015964
Energy: 1.765491641403068
Energy: 1.7965821046728836
Energy: 1.509809058818574
Energy: 1.7783036341833993
Energy: 1.8754162143485278

minimum gb energy = 1.473693237625025 eV
minimum distance =  2.21079058770531 Angstroms
sigma value = 43


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

Energy: 2.771449188358927
Energy: 2.138463349654455
Energy: 1.6236359569943841
Energy: 1.706993914289895
Energy: 1.8395270802548445
Energy: 2.043676644610041
Energy: 1.5819592643820743
Energy: 1.581784227296584
Energy: 1.540305418607686
Energy: 1.4994862377417484
Energy: 1.5562396689643674
Energy: 1.7277071629836618
Energy: 1.8277588330405334
Energy: 1.9220710896441116
Energy: 1.5308956265991898
Energy: 1.4938968746564756
Energy: 1.5387228972572784
Energy: 1.987755011674759
Energy: 1.7923772935911007
Energy: 1.8833189976927425
Energy: 1.532166428111222
Energy: 1.5385024191174521
Energy: 1.7309071980699282
Energy: 1.8913786383202456
Energy: 1.8030784713089687
Energy: 1.8811332823268088
Energy: 1.909190293458707
Energy: 1.5501922994307695
Energy: 1.8897072993530715
Energy: 1.8995427466208767
Energy: 1.504580042284571
Energy: 1.4825834966404234
Energy: 2.0293383361268984
Energy: 1.9747051387863281
Energy: 1.9554586935072342
Energy: 1.4970881807395147
Energy: 1.459384367620718
Energy: 1.469471229683905
Energy: 1.9145699302819352
Energy: 1.7780948708459077
Energy: 1.4815652893491023
Energy: 1.4830279157817743
Energy: 1.4540571296164064
Energy: 1.4795302161653074
Energy: 1.7488740952742343
Energy: 1.6087735140398216
Energy: 1.452014044151081
Energy: 1.481842711661838
Energy: 1.5025178452331271
Energy: 1.487362935937132
Energy: 1.889007720715996
Energy: 1.8145919067799796
Energy: 1.8891508275637399
Energy: 1.4961259181906352
Energy: 1.9282831324259335
Energy: 1.887044636282287
Energy: 1.8948890397442752
Energy: 1.6064198743736668
Energy: 1.8992993952939607
Energy: 1.8967732692360864
Energy: 2.062037584257552
Energy: 1.8666467398768358
Energy: 1.5489325683103827
Energy: 1.5248169802669032
Energy: 1.7693452779897616
Energy: 1.8324018929892592
Energy: 1.821737241551327
Energy: 1.9312974657750677
Energy: 1.527890090761768
Energy: 1.4996632179274993
Energy: 1.5582393716429297
Energy: 1.895472163534191
Energy: 2.053295319265064
Energy: 1.5120630658965175
Energy: 1.5174196655958494
Energy: 1.496553655013474
Energy: 1.552405124421581
Energy: 1.9929553303185668
Energy: 1.8006598094938335
Energy: 1.76722534493435
Energy: 1.5315407159937122
Energy: 1.541556818744825
Energy: 1.5136107381136445
Energy: 1.9534767687501438
Energy: 1.5210862114767068
Energy: 1.7561903093529934
Energy: 1.714699398877396
Energy: 1.7876691635710371
Energy: 1.731799981240664
Energy: 1.7628594726811992
Energy: 1.836685180162219
Energy: 1.7798038737821804
Energy: 1.709111457611694
Energy: 1.743031431953503
Energy: 1.7115326373939732
Energy: 1.7730336693869226
Energy: 1.7949141045529062
Energy: 1.7105416512863585
Energy: 1.7616504499149424
Energy: 1.7509283341302628
Energy: 1.6426154734757132
Energy: 1.735045566723292
Energy: 1.8008702316625942
Energy: 1.7405698185700915
Energy: 1.7028594740604972
Energy: 1.68862761717784
Energy: 1.7186911947160313
Energy: 1.7196630768231318
Energy: 1.7091188471203205
Energy: 1.621184507022743
Energy: 2.0383405682957276
Energy: 2.0752523129593565
Energy: 1.8334534339403927
Energy: 1.6570145947399801
Energy: 1.5041351897017292
Energy: 1.518192981267377
Energy: 1.5497043577548522
Energy: 1.6617004483613556
Energy: 1.5128535149771318
Energy: 1.5190334011463562
Energy: 1.4964044668199272
Energy: 1.504142099534025
Energy: 1.929785535201771
Energy: 1.758665133125473
Energy: 1.5062046276202063
Energy: 1.5074337129215882
Energy: 1.5486138633617927
Energy: 1.503895884686858
Energy: 1.8828884965699577
Energy: 1.8627086916323614
Energy: 1.867828429145379
Energy: 1.5372736524150308
Energy: 1.75687962881882
Energy: 1.9089085286576264
Energy: 1.8839295887388252
Energy: 1.7494972061606375
Energy: 1.8880851444439337
Energy: 1.8944033727450433
Energy: 2.0580456404299876
Energy: 1.9355750150972968
Energy: 1.4828476000171613
Energy: 1.5004769298216627
Energy: 1.72484346437548
Energy: 2.058465479914075
Energy: 1.777181212471158
Energy: 1.9018526801537177
Energy: 1.48055539724558
Energy: 1.4632573449412483
Energy: 1.4628006791601744
Energy: 1.9535015659798007
Energy: 1.6038413316479205
Energy: 1.738887105106995
Energy: 1.4637537584096116
Energy: 1.457622177834535
Energy: 1.5714606139562424
Energy: 1.7896031701674968
Energy: 1.7928118586536619
Energy: 1.8877000289373986
Energy: 1.507537255107091
Energy: 1.4838268241678532
Energy: 1.4834927336242982
Energy: 1.9142191269681808
Energy: 1.7274618248489486
Energy: 1.9017684901462484
Energy: 1.891733718481377
Energy: 1.789016680727721
Energy: 1.8853895098507893
Energy: 1.8815885319274859
Energy: 1.5287190670935726
Energy: 1.539408465340272
Energy: 1.8730624184209421
Energy: 1.9663184289611118
Energy: 1.8678013849623296
Energy: 1.5453046437735418
Energy: 1.495874554127166
Energy: 1.5536002622299463
Energy: 1.9122872219266063
Energy: 1.829890574296103
Energy: 1.5321471564695923
Energy: 1.5294423279298646
Energy: 1.4947778342453146
Energy: 1.5444615178338983
Energy: 1.717409176952798
Energy: 2.0608813625224736
Energy: 1.601285629772487
Energy: 1.5052982240426702
Energy: 1.543947922202315
Energy: 1.5046897204520393
Energy: 1.9766596834586332
Energy: 1.9874702091954868
Energy: 1.744540749128826
Energy: 1.5210103791284915
Energy: 1.806021165372759
Energy: 1.7269509152785225
Energy: 1.7541008623704617
Energy: 1.5126176045702069
Energy: 1.7621002046971306
Energy: 1.72056436051391
Energy: 1.795220212772407
Energy: 1.711165802424091
Energy: 1.7571249175685408
Energy: 1.8448785416853444
Energy: 1.7393440822607267
Energy: 1.7038782243367385
Energy: 1.8232858882385425
Energy: 1.7575979795070626
Energy: 1.7284157804845592
Energy: 1.746079465497979
Energy: 1.7132633144736764
Energy: 1.7174505769864916
Energy: 1.5831195443011687
Energy: 1.769457982672057
Energy: 1.7321944870079802
Energy: 1.7775944731530895
Energy: 1.7449069698182844
Energy: 1.733731622083447

minimum gb energy = 1.452014044151081 eV
minimum distance =  2.20447411884009 Angstroms
sigma value = 81


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

Energy: 1.40124819878111
Energy: 1.4220873877807438
Energy: 1.5795357772084657
Energy: 1.4777765802246257
Energy: 1.8548229245114563
Energy: 1.4569925329024376
Energy: 1.4563934482027205
Energy: 1.5765838929471339
Energy: 1.4955754706437074
Energy: 1.454836974042783
Energy: 1.48922366435381
Energy: 1.5719452676765029
Energy: 1.6646395289334588
Energy: 1.5743821506871372
Energy: 1.4729101870079795
Energy: 1.445870288540783
Energy: 1.5050073775342236
Energy: 1.583760756184463
Energy: 1.600149827305609
Energy: 1.5783142775347858
Energy: 1.5010495230946581
Energy: 1.528684712035977
Energy: 1.6195156126754149
Energy: 1.5641318103783037
Energy: 1.5497895083566786
Energy: 1.5658532587075753
Energy: 1.5707656515053479
Energy: 1.4640430132467857
Energy: 1.6034783177377272
Energy: 1.582972664175167
Energy: 1.569833675530516
Energy: 1.5219871594218919
Energy: 1.4505592927769844
Energy: 1.405233506894902
Energy: 1.5903703251783898
Energy: 1.5212208259212325
Energy: 1.4483674994916473
Energy: 1.4713803849371643
Energy: 1.5740026986008089
Energy: 1.5491349084020323
Energy: 1.5677285786706905
Energy: 1.473492300094833
Energy: 1.4378273529856798
Energy: 1.4916235251855452
Energy: 1.5673194368818837
Energy: 1.5648664658399158
Energy: 1.6119830950612242
Energy: 1.4832456702145562
Energy: 1.6135771014284244
Energy: 1.5168610537954568
Energy: 1.5918671485360667
Energy: 1.6159196700759055
Energy: 1.576211946141241
Energy: 1.5527835721223584
Energy: 1.4449126714141496
Energy: 1.5961981533678715
Energy: 1.5743384792923363
Energy: 1.5754479711808054
Energy: 1.574516046146482
Energy: 1.6029015318665494

minimum gb energy = 1.40124819878111 eV
minimum distance =  2.2409759389806 Angstroms
sigma value = 3


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

Energy: 2.6266936234063234
Energy: 2.0948620685277675
Energy: 1.7546364053489703
Energy: 1.7218727842858934
Energy: 1.7726160175801011
Energy: 2.0632730309650764
Energy: 1.916244351783267
Energy: 1.685772514467939
Energy: 1.725825721109535
Energy: 1.6236026363432363
Energy: 1.701616157316192
Energy: 1.7007281651435573
Energy: 1.6607326751836464
Energy: 1.7881658113167773
Energy: 1.7108710431093004
Energy: 1.6272210352050118
Energy: 1.639409038301787
Energy: 1.6814116934720005
Energy: 1.6345714638201825
Energy: 1.7148003819626119
Energy: 1.6306248873589684
Energy: 1.6989156638750247
Energy: 1.7040756454223935
Energy: 1.6988217471929095
Energy: 1.6408077750179317
Energy: 1.7280007633508685
Energy: 1.7182027348571283
Energy: 1.9365965392823956
Energy: 1.7206875237708783
Energy: 1.6749320376134929
Energy: 1.7487229404947968
Energy: 1.6992972869053538
Energy: 1.7751895064999017
Energy: 1.5878625549007976
Energy: 1.9743081569246859
Energy: 1.7514814697622088
Energy: 1.7879724249043403
Energy: 1.7175029705171263
Energy: 1.9663296648570607
Energy: 1.7006353457625545
Energy: 1.9550303502189885
Energy: 1.6651402648549773
Energy: 1.7843357593667417
Energy: 1.9452306629807368
Energy: 1.532515246292959
Energy: 1.449002912567182
Energy: 1.5228037898764044
Energy: 1.7071564642044823
Energy: 1.8987496025105948
Energy: 1.506415499984485
Energy: 1.4839594845647512
Energy: 1.4517145114329097
Energy: 1.5101879606787216
Energy: 1.9092425995166573
Energy: 1.8442392852131244
Energy: 1.718547180555819
Energy: 1.5056809154119135
Energy: 1.4775573107596118
Energy: 1.5244915872130198
Energy: 1.5755726867158095
Energy: 1.8918201945498985
Energy: 1.9984393063508672
Energy: 2.0442774959685015
Energy: 1.5275553408517735
Energy: 1.7853031065665612
Energy: 1.9851098814406545
Energy: 1.9111733438324758
Energy: 1.7710696462273756
Energy: 1.9663064026288815
Energy: 1.7569407723032069
Energy: 1.9711064485213023
Energy: 2.1062928730485773
Energy: 1.483162860770328
Energy: 1.519347715217217
Energy: 1.9786594275769172
Energy: 1.9616354716778746
Energy: 1.7873545822515475
Energy: 1.5077447610400443
Energy: 1.4482340582001783
Energy: 1.5127249227479036
Energy: 1.8057628893410007
Energy: 1.9183797718893698
Energy: 1.4806012921785445
Energy: 1.4982084669908362
Energy: 1.452334371004836
Energy: 1.5290215365467899
Energy: 1.8745446747212915
Energy: 1.8821591507485966
Energy: 1.867654094431342
Energy: 1.5151906888180093
Energy: 1.4799168777514546
Energy: 1.9109072363744188
Energy: 1.9488109141641883
Energy: 1.8850791412927306
Energy: 1.9490628803206378
Energy: 1.4776691353305156
Energy: 1.9662483480861157
Energy: 1.6741660256355804
Energy: 1.6804316900073095
Energy: 1.7989929584242634
Energy: 1.9930441258588343
Energy: 1.953025664728189
Energy: 1.9569227836042549
Energy: 1.658704017001472
Energy: 1.6514072502784876
Energy: 1.6449538157780321
Energy: 1.6852881833766344
Energy: 1.9875779078043039
Energy: 1.701397836248347
Energy: 1.7385752216299948
Energy: 1.689936914131043
Energy: 1.6657134609985562
Energy: 1.715330867766811
Energy: 1.7278262991090478
Energy: 1.6282296013781836
Energy: 1.7033331307468773
Energy: 1.7460781356574901
Energy: 1.6290997074426412
Energy: 1.650204499506699
Energy: 1.7040928379648532
Energy: 1.6188592824331958
Energy: 1.712513599246761
Energy: 1.7157503621257122
Energy: 1.6892549180171832
Energy: 1.7008445989637173
Energy: 1.6902534348310119
Energy: 1.6243999882225026
Energy: 1.642208411470298
Energy: 2.000574421025499
Energy: 1.7534838747850656
Energy: 1.7042849251172125
Energy: 1.6434895355266284
Energy: 1.872276723033677
Energy: 1.7329865800787432
Energy: 1.917039068071075
Energy: 1.9478339710894557
Energy: 1.9138112464809032
Energy: 1.6744927285709108
Energy: 1.8730078696176362
Energy: 1.983699513452855
Energy: 1.4683978394366617
Energy: 1.4865336930494377
Energy: 1.938769848284065
Energy: 1.881051252756764
Energy: 1.8663616070444506
Energy: 1.9412381856067873
Energy: 1.4794754374744006
Energy: 1.4532081233581122
Energy: 1.5244673567016271
Energy: 1.8891457977121373
Energy: 1.9174040858812131
Energy: 1.4813121925341401
Energy: 1.4975405414212506
Energy: 1.4493704795621545
Energy: 1.517870413693387
Energy: 1.9222392471130356
Energy: 1.8882044680162975
Energy: 2.0722964665320207
Energy: 1.472222573490187
Energy: 1.4514361115006782
Energy: 1.5489865810967658
Energy: 1.9648083151416285
Energy: 1.9528240732610318
Energy: 1.7857572658141145
Energy: 1.764254291686853
Energy: 1.9500304978998622
Energy: 1.990286230907829
Energy: 1.7667139658181628
Energy: 1.4438146598294839
Energy: 1.493929132600217
Energy: 2.0146399671993103
Energy: 1.460288088071524
Energy: 2.0337072270747023
Energy: 1.492601789461013
Energy: 1.4463507691181965
Energy: 1.5244887941417853
Energy: 1.5114798355929353
Energy: 1.9246857748139776
Energy: 1.520720450642942
Energy: 1.4801402962801935
Energy: 1.4546662568691902
Energy: 1.5183450164169485
Energy: 1.826065920082906
Energy: 1.877543561524202
Energy: 1.6602200613795899
Energy: 1.5068749800081103
Energy: 1.4567707842443203
Energy: 1.4988725527995415
Energy: 1.9491776266378171
Energy: 1.9567199135188278
Energy: 1.9724091830593047
Energy: 1.4516873632776364
Energy: 1.8977447463115755
Energy: 1.8826239235782234
Energy: 1.67815998589616
Energy: 1.877322118283755
Energy: 1.9925105626434914
Energy: 1.7739256143117292

minimum gb energy = 1.4438146598294839 eV
minimum distance =  2.21679373659146 Angstroms
sigma value = 67


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

Energy: 2.2532154539835876
Energy: 1.9114912091268361
Energy: 1.7294650304903758
Energy: 1.7628750120259562
Energy: 1.7693854674034384
Energy: 2.0712657538768005
Energy: 1.8435288089474484
Energy: 1.724546482715482
Energy: 1.7459303222556501
Energy: 1.6681047457790503
Energy: 1.7837962194114176
Energy: 1.6379594602687493
Energy: 1.6485859908997262
Energy: 1.7916829442347713
Energy: 1.7352218951687122
Energy: 1.6672381303407433
Energy: 1.651263775675699
Energy: 1.6754030480775146
Energy: 1.6514736069099742
Energy: 1.7356747956909568
Energy: 1.735937128563492
Energy: 1.7093148808774363
Energy: 1.5261046594672727
Energy: 1.7241059168849244
Energy: 1.6482958258923652
Energy: 1.74961964820709
Energy: 1.7993358501708028
Energy: 1.7351992485473653
Energy: 1.7350934707619134
Energy: 1.6721272383302264
Energy: 1.7091130148442115
Energy: 1.8095949932825968
Energy: 2.164710041822791
Energy: 1.523208891006629
Energy: 2.038781854119981
Energy: 1.7076425883824504
Energy: 1.9243367745142401
Energy: 1.9502027328810938
Energy: 2.063816987329788
Energy: 1.7385366484902214
Energy: 2.0478581498045996
Energy: 1.7156545692773237
Energy: 1.9361261923778093
Energy: 1.9328506888725905
Energy: 1.582568137026077
Energy: 1.5612887329879805
Energy: 1.5442982735760178
Energy: 2.0478576220661235
Energy: 1.8375568749098639
Energy: 1.630529324110777
Energy: 1.5631970346989152
Energy: 1.5207895588131348
Energy: 1.588794043346124
Energy: 1.8705931824340714
Energy: 1.8778584168542902
Energy: 1.6967694882784488
Energy: 1.5912440662033454
Energy: 1.5218475901396944
Energy: 1.6304321336266652
Energy: 1.5383820733489668
Energy: 1.895387275375136
Energy: 1.9800591807421544
Energy: 2.1421887648568196
Energy: 1.5412049159954455
Energy: 1.9560949365122102
Energy: 1.7700345034710294
Energy: 1.8575750747572048
Energy: 1.7794494130778704
Energy: 1.5072563273277637
Energy: 1.8530143790800377
Energy: 1.9833592659088515
Energy: 1.7111974500139175
Energy: 1.629516320395683
Energy: 1.4789067305549883
Energy: 1.5437678386204983
Energy: 1.934755756885398
Energy: 1.5173374050541382
Energy: 1.6627882329808543
Energy: 1.7369212004251888
Energy: 1.6428383356374816
Energy: 2.120147354466222
Energy: 1.7829710621137669
Energy: 1.6525286115524116
Energy: 1.6590774795429015
Energy: 1.6236608414305325
Energy: 1.6389345537740312
Energy: 1.8326070602740396
Energy: 1.7283657274643374
Energy: 1.9090948253895736
Energy: 1.4313868241027379
Energy: 1.6525826442949827
Energy: 1.883898033298973
Energy: 1.831322582626099
Energy: 1.7268883779637139
Energy: 1.847174689770702
Energy: 1.6840625251488037
Energy: 2.0156481315070747
Energy: 1.9549894627885263
Energy: 1.794517906369748
Energy: 1.7577977612576805
Energy: 1.7722286840528017
Energy: 2.191929268694945
Energy: 1.9722655813266499
Energy: 1.983851799747522
Energy: 1.9651740667634443
Energy: 1.9053008673818477
Energy: 1.9923375378056787
Energy: 1.776297681929999
Energy: 1.5015060822861312
Energy: 1.520283101288426
Energy: 2.055031663483417
Energy: 1.7351573154688213
Energy: 2.0864606180754697
Energy: 1.4408218240010182
Energy: 1.429791784487278
Energy: 1.4928266637904928
Energy: 1.8251781005428842
Energy: 1.9180669934792571
Energy: 1.5049594382038591
Energy: 1.46154374003226
Energy: 1.4388251992281997
Energy: 1.4923858550963955
Energy: 1.7941323224700292
Energy: 1.9294398006291091
Energy: 1.4932226669970627
Energy: 1.4600960637444165
Energy: 1.465196863241213
Energy: 1.5182098910785586
Energy: 2.0894881926135187
Energy: 1.6684370517243468
Energy: 1.6406812440068073
Energy: 1.4858906059057635
Energy: 1.7753258528871287
Energy: 1.6854458361460758
Energy: 1.7041294803577236
Energy: 1.9117746284226491
Energy: 2.114131411114214
Energy: 1.9120675949251715

minimum gb energy = 1.429791784487278 eV
minimum distance =  2.22957663454348 Angstroms
sigma value = 33


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

Energy: 2.742760243594377
Energy: 2.0372169792084223
Energy: 1.8242562206523552
Energy: 1.80095537021556
Energy: 1.8152184315805302
Energy: 2.221041578569085
Energy: 1.6061810892554211
Energy: 1.7997913393225247
Energy: 1.7679116876215548
Energy: 1.7241050350877174
Energy: 1.903609389514275
Energy: 1.8209964882369334
Energy: 1.4852603971900347
Energy: 1.624642193250916
Energy: 1.868671086579281
Energy: 1.5888412739292377
Energy: 1.7612504133196722
Energy: 1.510804528215144
Energy: 1.5184484558065678
Energy: 1.5485692553729966
Energy: 1.5743341706556266
Energy: 1.7392773678256759
Energy: 1.5579044576547267
Energy: 1.5294679928646648
Energy: 1.477591655549826
Energy: 1.574921887611753
Energy: 1.5544257113335334
Energy: 1.7855808913890123
Energy: 1.587610614434551
Energy: 1.4989190222533275
Energy: 1.5654172145432104
Energy: 1.7622852843879606
Energy: 1.9765583704704306
Energy: 1.747597730564302
Energy: 2.0929950005652245
Energy: 1.4983920166498812
Energy: 1.8910338811731242
Energy: 1.5131403115032918
Energy: 1.9096998274297974
Energy: 1.771993995679548
Energy: 1.957122224937774
Energy: 1.6156958448288439
Energy: 1.8846111115084614
Energy: 1.4550590916385862
Energy: 1.5132814487705468
Energy: 1.4909614389418013
Energy: 1.5275641789310577
Energy: 1.6126022855919413
Energy: 1.7601468880929476
Energy: 1.547799804970564
Energy: 1.5431165048865674
Energy: 1.4662265980215774
Energy: 1.5571743241025977
Energy: 1.7778680113521532
Energy: 1.722396078936806
Energy: 1.7202379265183365
Energy: 1.4857811860272234
Energy: 1.4685654831490706
Energy: 1.5312119033450637
Energy: 1.7496762655826816
Energy: 1.7424213367855712
Energy: 1.8601278427863317
Energy: 1.6053595135575793
Energy: 1.4667406448765823
Energy: 1.8764359439651368
Energy: 1.8503949407956746
Energy: 1.7307287157878786
Energy: 1.7539797942955768
Energy: 1.6213641337671107
Energy: 1.7750118167895608
Energy: 1.824817697463828
Energy: 1.7496012722235619
Energy: 1.873496604005876
Energy: 1.8944972863771643
Energy: 1.404191978387225
Energy: 1.7904754982539293
Energy: 1.7517156383988899
Energy: 1.9092970567484473
Energy: 1.8990581499393309
Energy: 2.0996770116090504
Energy: 1.3534866811256538
Energy: 1.3787225475029
Energy: 1.7383037139311686
Energy: 2.016189423194602
Energy: 1.848815218758675
Energy: 1.5732274547527316
Energy: 1.389759064641731
Energy: 1.3468728625463708
Energy: 1.394948149017828
Energy: 1.839267054283044
Energy: 1.889524678154669
Energy: 1.4109600988580833
Energy: 1.3899676607221714
Energy: 1.3471440911842352
Energy: 1.4127886604224975
Energy: 1.9189351976824403
Energy: 1.7330857020652444
Energy: 1.6842737971830057
Energy: 1.418825435507732
Energy: 1.3633625376716498
Energy: 1.438304484593364
Energy: 1.7575352053868263
Energy: 1.879699661595268
Energy: 1.7628209762372606
Energy: 1.9929861190910456
Energy: 1.4972008749650056
Energy: 1.9808732004639924
Energy: 1.7462657914858652
Energy: 1.7736399460946928
Energy: 1.963708656377259
Energy: 1.6458392677355345
Energy: 1.6219670452209927
Energy: 1.9559227686634966
Energy: 1.8023340656807874
Energy: 1.7247537390250456
Energy: 1.8544945970988143
Energy: 1.8083881605774006
Energy: 1.6109546315202352
Energy: 1.7840572948383506
Energy: 1.742669712868087
Energy: 1.6087298391894838
Energy: 1.8880643812957556
Energy: 1.507592212166982
Energy: 1.4946672834688957
Energy: 1.5480342532557048
Energy: 1.8497603405501846
Energy: 1.735893267034705
Energy: 1.6436580991013345
Energy: 1.5431661052012584
Energy: 1.4889304099892295
Energy: 1.5489110611546812
Energy: 1.7485615091719515
Energy: 1.7774363688158692
Energy: 1.568109519689576
Energy: 1.5676087495693531
Energy: 1.4716964760919837
Energy: 1.5777563293717676
Energy: 1.8830138774547691
Energy: 1.9313886128776387
Energy: 2.1121300565454018
Energy: 1.496050214910232
Energy: 1.4955754396089669
Energy: 1.5638883033540385
Energy: 2.109658730813459
Energy: 1.7882396138483039
Energy: 1.5199497474205819
Energy: 1.528461626197956
Energy: 1.891353485694179
Energy: 1.6856169026618322
Energy: 1.9092628923280923
Energy: 1.4870102908273013
Energy: 1.526270058607235
Energy: 1.9368150043211334
Energy: 1.9008750194389974
Energy: 1.54352713392042
Energy: 1.493541141692739
Energy: 1.4656683638221024
Energy: 1.5445320369630202
Energy: 1.93214069530581
Energy: 1.7631340563768676
Energy: 1.609845383762911
Energy: 1.5544489251757414
Energy: 1.4636997054546304
Energy: 1.5637557411357241
Energy: 1.7350643529892658
Energy: 1.725635303492709
Energy: 1.5499712868697142
Energy: 1.487980005888477
Energy: 1.4720238462796085
Energy: 1.5362209707653212
Energy: 1.8529950653708869
Energy: 1.7486724119906683
Energy: 1.8601374459169384
Energy: 1.4913168587581125
Energy: 1.8064054259828124
Energy: 1.8179949153819424
Energy: 1.7609563409438342
Energy: 1.728466144814713
Energy: 1.7414111635635687
Energy: 1.9169997086118986
Energy: 1.7644498056491498
Energy: 1.7515230704078522
Energy: 1.9176437623796547
Energy: 1.8766337654113305
Energy: 1.8977369772776942
Energy: 1.5008675418659698
Energy: 1.3532611516717343
Energy: 1.6136041785736026
Energy: 1.8553774024838667
Energy: 1.8690077605447053
Energy: 1.8726856907389327
Energy: 1.3544795659368312
Energy: 1.3600639603369902
Energy: 1.405729331860821
Energy: 1.8950048544700802
Energy: 1.85585942908963
Energy: 1.5681543361132837
Energy: 1.3868412095130616
Energy: 1.3470298938861711
Energy: 1.3960454141009895
Energy: 1.436860695758483
Energy: 1.900714163781233
Energy: 1.4403012273413165
Energy: 1.3835319743252223
Energy: 1.3519294792811287
Energy: 1.4172759493383056
Energy: 1.806532768019253
Energy: 1.9238353099994274
Energy: 1.5785936104349731
Energy: 1.3708648768032798
Energy: 1.5200177516256812
Energy: 1.9880100881482945
Energy: 1.765892439623108
Energy: 1.9114060245301214
Energy: 1.8883080773262622
Energy: 1.5095546712392984
Energy: 1.894231090292886
Energy: 2.034568526419499
Energy: 1.9040556605296948
Energy: 1.7957932978862317
Energy: 1.7234575348973695
Energy: 2.176079038700345

minimum gb energy = 1.3468728625463708 eV
minimum distance =  2.21217206942655 Angstroms
sigma value = 41


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

Energy: 2.086757379843468
Energy: 2.0479377446958047
Energy: 1.5623763998232962
Energy: 1.5560386104478898
Energy: 1.5873936582204047
Energy: 2.030412753534977
Energy: 1.7984227857809787
Energy: 1.2379272718198047
Energy: 1.2682439239399357
Energy: 1.5067187944556968
Energy: 1.3029644860645215
Energy: 1.4965546431489383
Energy: 1.4786308493522422
Energy: 1.2389853095862182
Energy: 1.244303089800653
Energy: 1.1692268523230493
Energy: 1.2743319657851917
Energy: 1.5174137639970031
Energy: 1.62666686480341
Energy: 1.6657661618936834
Energy: 1.2641594727685577
Energy: 1.4978939471369612
Energy: 1.2584525081820501
Energy: 1.638438636554358
Energy: 1.4796464926658777
Energy: 1.5369547921262752
Energy: 1.7143262431376256
Energy: 1.4782489990873433
Energy: 1.6804459972278991
Energy: 1.496462560903346
Energy: 1.4978234039709386
Energy: 1.5441421021688628
Energy: 1.9138985997854208
Energy: 1.5955198063400629
Energy: 2.089428721584015
Energy: 1.5092638854414977
Energy: 1.820627177885319
Energy: 1.6763875464794182
Energy: 1.5231635824579144
Energy: 1.5035655140809872
Energy: 1.7011151539684355
Energy: 1.8432380122211651
Energy: 1.836634786301625
Energy: 1.6998550569442434
Energy: 1.5113412011733056
Energy: 1.5051743214051398
Energy: 1.2607492950785106
Energy: 2.0453519709965278
Energy: 1.4991647403083799
Energy: 1.2571815107467577
Energy: 1.2555750259600913
Energy: 1.1520275222985468
Energy: 1.2710722606864382
Energy: 1.5091645893739258
Energy: 1.5084421486744533
Energy: 1.2313438295945163
Energy: 1.2662436606271832
Energy: 1.5129779663869702
Energy: 1.2370149003822608
Energy: 1.5143178035611715
Energy: 1.5008234147545951
Energy: 1.7128128626557033
Energy: 1.269543751078156
Energy: 1.507004067227976
Energy: 1.7423150869008412
Energy: 1.6292477484444845
Energy: 1.509564428101414
Energy: 1.5368083551192555
Energy: 1.7171789388401804
Energy: 1.5933964861516083
Energy: 1.5236125435137997
Energy: 1.5274562545250296
Energy: 1.4985907460033623
Energy: 1.5422924332291292
Energy: 1.7479913865152898
Energy: 1.5244505622816662
Energy: 1.2679601808568732
Energy: 1.5128064728077129
Energy: 2.0343124609345065
Energy: 1.669362950225363
Energy: 1.5528084269583668
Energy: 1.5071982963157362
Energy: 1.738730869227106
Energy: 2.036148477869883

minimum gb energy = 1.1520275222985468 eV
minimum distance =  2.22246380886865 Angstroms
sigma value = 11


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

Energy: 2.5322073103647904
Energy: 1.7336773984742047
Energy: 1.826941317513897
Energy: 1.8185141209332167
Energy: 1.771802754543272
Energy: 2.25873920301085
Energy: 1.4354435620281267
Energy: 1.663195899353365
Energy: 1.768562517013397
Energy: 1.790979179661703
Energy: 1.7094227998121232
Energy: 1.5767408061936206
Energy: 1.42456662951351
Energy: 1.445762386190621
Energy: 1.83113963262883
Energy: 1.9209087960785112
Energy: 1.680984427680213
Energy: 1.4062013397066992
Energy: 1.414027972420234
Energy: 1.472675811016688
Energy: 1.6206321165202269
Energy: 1.7070394175391765
Energy: 1.470688276069311
Energy: 1.4574150237480081
Energy: 1.405952995082861
Energy: 1.4547380353658799
Energy: 1.5945780968641152
Energy: 1.8034670878265
Energy: 1.485695945637777
Energy: 1.4386440321827179
Energy: 1.4149940902503726
Energy: 1.4548520000729213
Energy: 2.0287490856317634
Energy: 2.08165452441499
Energy: 2.026200084437522
Energy: 1.426728705884457
Energy: 1.5863377284123947
Energy: 1.5697483687093838
Energy: 1.7950064073065368
Energy: 1.7868272610566427
Energy: 1.8262546204317294
Energy: 1.6862125337349554
Energy: 1.583172497105048
Energy: 1.6511416853727015
Energy: 1.7176667519329938
Energy: 1.693308234584107
Energy: 1.8433270264971773
Energy: 1.7685683274399306
Energy: 1.4148295087937581
Energy: 1.4438590173969106
Energy: 2.000502994865118
Energy: 1.877325069568258
Energy: 2.085357155795249
Energy: 1.4226659545240874
Energy: 1.5131289011511346
Energy: 1.5500402685815828
Energy: 1.5740155894340913
Energy: 1.8428037585303745
Energy: 1.5969228212360145
Energy: 1.5348255102030592
Energy: 1.5304575812124321
Energy: 1.6439616980045353
Energy: 1.6535576871288915
Energy: 1.6211489251496656
Energy: 1.6609588844937793
Energy: 1.646131210245891
Energy: 1.5224574473231491
Energy: 1.5880817980681592
Energy: 1.7017654121492392
Energy: 1.5833934339559497
Energy: 1.7492156625125632
Energy: 1.6328763985726387
Energy: 1.5191000115356526
Energy: 1.7435637893736178
Energy: 1.6853531144130447
Energy: 1.581884668493196
Energy: 1.7169736490771668
Energy: 1.517311397055251
Energy: 1.8747723698767558
Energy: 1.8108034478599577
Energy: 1.6060199135398456
Energy: 1.5661695597316088
Energy: 1.5823631479189098
Energy: 1.9007376226416277
Energy: 1.5433222052237057
Energy: 1.6392660277014695
Energy: 1.7148021554230408
Energy: 1.396602970457385
Energy: 2.113685096820895
Energy: 1.6317694154960687
Energy: 1.6683581808145316
Energy: 1.6650864243412822
Energy: 1.6347034088903616
Energy: 2.241666237606875
Energy: 1.8697667799699507
Energy: 1.6843071527742965
Energy: 1.6538871339137822
Energy: 1.6340210660638206
Energy: 1.7684716096088964
Energy: 1.395670312881269
Energy: 1.8889357890571903
Energy: 1.6366471233459001
Energy: 1.9938175028488085
Energy: 1.9350723839978994
Energy: 1.4838842149653517
Energy: 1.4507286294019657
Energy: 1.532725774609239
Energy: 1.9124338515773036
Energy: 1.6670188180314678
Energy: 1.5214080961374072
Energy: 1.5156216095135027
Energy: 1.475755379996457
Energy: 1.5074999524246744
Energy: 1.6900064915856186
Energy: 1.7880798882314577
Energy: 1.6063312864307593
Energy: 1.5275693279871112
Energy: 1.5029625679307066
Energy: 1.5620262318433684
Energy: 1.6452653414966847
Energy: 1.805295508363057
Energy: 2.0170346131122243
Energy: 1.5310894269438637
Energy: 1.4592705681679854
Energy: 1.5505759203058944
Energy: 2.020340884571152
Energy: 1.7712925499921357
Energy: 1.7874047876330792
Energy: 1.5680174135068392
Energy: 1.58588636966782
Energy: 1.6055008504710524
Energy: 1.779549927559684
Energy: 1.7109783872402258
Energy: 1.6550509493612113
Energy: 1.970919035680945
Energy: 1.7260246449821137
Energy: 1.6762787195261026
Energy: 1.6697639675989122
Energy: 1.861893402173026
Energy: 2.0022422396841932
Energy: 1.5610630171278932
Energy: 1.5481362610381209
Energy: 1.5367275076555877
Energy: 1.7236359169796325
Energy: 1.8558294940360658
Energy: 1.623920155553975
Energy: 1.5416774530446553
Energy: 1.528540450469443
Energy: 1.5346263315914606
Energy: 1.9332073511617927
Energy: 1.5391564386037748
Energy: 1.6025385919815618
Energy: 1.6364280489540572
Energy: 1.5350490488981297
Energy: 1.6612004287736684
Energy: 1.579383889779441
Energy: 1.531586279793254
Energy: 1.6456281893101057
Energy: 1.59258429161362
Energy: 1.5316509933867462
Energy: 1.5793760173957747
Energy: 1.6164357445202269
Energy: 1.5292458699702278
Energy: 1.6380330424136922
Energy: 1.4913851958006317
Energy: 1.5496447909375437
Energy: 1.6495711042418912
Energy: 1.6205355851046683
Energy: 1.5456550796441435
Energy: 1.5600576173663314
Energy: 1.5591761571652545
Energy: 1.8711296041418966
Energy: 1.5515005206146537
Energy: 1.5375068057917085
Energy: 1.4405988752524128
Energy: 1.7800947239213614
Energy: 1.7603787826748964
Energy: 1.67651879458446
Energy: 1.8831830055692398
Energy: 1.4427518515578217
Energy: 1.9021563805195323
Energy: 1.7641576063809166
Energy: 1.7356913159024665
Energy: 1.793186156627034
Energy: 1.5871033628643856
Energy: 1.922983218490459

minimum gb energy = 1.395670312881269 eV
minimum distance =  2.21955912140734 Angstroms
sigma value = 57


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

Energy: 2.463002068009392
Energy: 1.625144241645402
Energy: 1.728572788007389
Energy: 1.6052021174471858
Energy: 1.7703988108501572
Energy: 2.254718713523267
Energy: 1.5102747019605303
Energy: 1.5841774569016647
Energy: 1.5746804820018292
Energy: 1.6770010293827486
Energy: 1.6053112211646998
Energy: 1.5152674802822448
Energy: 1.4741387635147358
Energy: 1.6464271057863504
Energy: 1.5766524582362997
Energy: 1.5477731002439123
Energy: 1.5630284360387137
Energy: 1.4839909485378844
Energy: 1.4562324785292629
Energy: 1.5641240617728491
Energy: 1.7719770863748627
Energy: 1.5113803586667753
Energy: 1.5418956265253547
Energy: 1.5216068883420286
Energy: 1.474192119274426
Energy: 1.5271826072219714
Energy: 1.558916648106465
Energy: 1.6679360839522301
Energy: 1.6882415117219347
Energy: 1.5119840397756223
Energy: 1.507341482092683
Energy: 1.6342922376309221
Energy: 1.8917464721808095
Energy: 1.6836173998269754
Energy: 1.5740573431475373
Energy: 1.4934717480650221
Energy: 1.727973950264142
Energy: 1.5874674399722697
Energy: 1.5026096822849757
Energy: 1.483765987378394
Energy: 1.5658890050488194
Energy: 1.5818984160197715
Energy: 1.4874050794153257
Energy: 1.5770254287215697
Energy: 1.4816464778012297
Energy: 1.5261672569406732
Energy: 1.5322584216680952
Energy: 1.545464353557898
Energy: 1.6022473747050965
Energy: 1.5105498145182932
Energy: 1.569369692511516
Energy: 1.8876697869642112
Energy: 1.9199348380079209
Energy: 1.6048008127524545
Energy: 1.4958261186136939
Energy: 1.5221131236919234
Energy: 1.5574837858870856
Energy: 1.4752382820829835
Energy: 1.584673474853113
Energy: 1.4818623444987185
Energy: 1.4493973771256614
Energy: 1.573560471147889
Energy: 1.6280009699269906
Energy: 1.5343940947302033
Energy: 1.5525059111429247
Energy: 1.5934178025164483
Energy: 1.4452574207187303
Energy: 1.5864554690197668
Energy: 1.5301240685970723
Energy: 1.4758864137884742
Energy: 1.570427506115969
Energy: 1.6000897903270408
Energy: 1.4922997600200731
Energy: 1.6693276734245144
Energy: 1.5333720949617546
Energy: 1.47515264681501
Energy: 1.543076302913348
Energy: 1.510814161380106
Energy: 1.6931400412642112
Energy: 1.5687173152551306
Energy: 1.499967428656875
Energy: 1.474638294556619
Energy: 1.6352481569109572
Energy: 1.8963788630354255
Energy: 1.4892390336968466
Energy: 1.8830182277032135
Energy: 1.5618302726681537
Energy: 1.5048377202453913
Energy: 1.5676909069261016
Energy: 1.5125321423726412
Energy: 1.7214303727618794
Energy: 1.7236412922163438
Energy: 1.552399073461568
Energy: 1.9446501762816266
Energy: 1.5666756565972015
Energy: 1.7554374342862618
Energy: 1.4637280554716492
Energy: 1.8218112783332738
Energy: 1.5699930951435839
Energy: 1.4878902050618394
Energy: 1.5835736003850447
Energy: 1.5048756830648498

minimum gb energy = 1.4452574207187303 eV
minimum distance =  2.23343559059468 Angstroms
sigma value = 9


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

Energy: 2.6309727406303325
Energy: 1.7677858197736436
Energy: 1.6983688296706563
Energy: 1.654860179689273
Energy: 1.6791258575053765
Energy: 2.2619851883479893
Energy: 1.8984804528575179
Energy: 1.7216118604353565
Energy: 1.6997025504633403
Energy: 1.529378883923971
Energy: 1.7480190826150992
Energy: 1.6914716976444641
Energy: 1.5138098565116245
Energy: 1.590835152122722
Energy: 1.6673181382055393
Energy: 1.72325743373382
Energy: 1.70491690639017
Energy: 1.4947969412462783
Energy: 1.516241550990715
Energy: 1.6511496346152716
Energy: 1.8045363649776027
Energy: 1.517105277104578
Energy: 1.675318914690564
Energy: 1.5645455569284472
Energy: 1.5328737738738596
Energy: 1.6335637590399905
Energy: 1.7941669751612508
Energy: 1.514145674412632
Energy: 1.6756104063110384
Energy: 1.6672502329698566
Energy: 1.4975862967780051
Energy: 1.687827253955014
Energy: 1.6338679245122707
Energy: 1.5264741377472797
Energy: 1.6285838952632643
Energy: 1.6514649039102054
Energy: 1.7097845110654915
Energy: 1.6713321403488008
Energy: 1.5588940635283188
Energy: 1.5451941854799403
Energy: 1.5799187368846033
Energy: 1.8359417567291711
Energy: 1.705329749757722
Energy: 1.746734003426563
Energy: 1.717320882464707
Energy: 1.5704202774724119
Energy: 1.693207851296199
Energy: 1.7686520427461514
Energy: 1.7119812692696361
Energy: 1.5636347021772743
Energy: 1.726647780429451
Energy: 1.7407719414207952
Energy: 1.6645978388583056
Energy: 1.5355224766519149
Energy: 1.7803355052630205
Energy: 1.5396923188409093
Energy: 1.747091069554979
Energy: 1.7647169200654045
Energy: 1.7801667830353687
Energy: 1.5177428891856215
Energy: 1.8951450691745442
Energy: 1.7550969687296674
Energy: 1.5764103335491821
Energy: 1.4940940462406584
Energy: 1.5004702284280453
Energy: 1.8455239841359932
Energy: 1.9030275585905334
Energy: 1.7512070235673993
Energy: 1.5422765521208284
Energy: 1.5193775007522177
Energy: 1.690929753993435
Energy: 1.8412750088281304
Energy: 1.536679765037517
Energy: 1.6658561806090433
Energy: 1.7302989055246938
Energy: 1.5979329829133835
Energy: 1.6573846463678825
Energy: 1.5541590268387109
Energy: 1.555597411272513
Energy: 1.580024065880442
Energy: 1.794104105058047
Energy: 1.5435884289127648
Energy: 1.6793452190266032
Energy: 1.5631094406977863
Energy: 1.5280094150446755
Energy: 1.6539248428859707
Energy: 1.6590147748784367
Energy: 1.5056438615601528
Energy: 1.6800507038000507
Energy: 1.648259505699578
Energy: 1.5017999814337621
Energy: 1.7660468330500776
Energy: 1.6088226449641363
Energy: 1.6988935809265795
Energy: 1.6249207761175954
Energy: 1.64297954856581
Energy: 1.7228869606350108
Energy: 1.7996377314418286
Energy: 1.5843855164833398
Energy: 1.504579103509658
Energy: 1.6478390213134007
Energy: 1.6781695988566852
Energy: 1.743944604392868
Energy: 1.6578625810956442
Energy: 1.5317273934824593
Energy: 1.551076886935935
Energy: 1.7110740444591055
Energy: 2.005919179950649
Energy: 1.7124763799915275
Energy: 1.5772255298884494
Energy: 1.6650126375994212
Energy: 1.6079608822650926
Energy: 1.7580393152005076
Energy: 1.535518814475841
Energy: 1.5140753378704164
Energy: 1.5525603378521255
Energy: 1.621585350502171
Energy: 2.0623712095066717
Energy: 1.5337490845142827
Energy: 1.5353541536633821
Energy: 1.8929880874408067
Energy: 1.6854115254580038
Energy: 1.7095622000444954
Energy: 1.5258808249200773
Energy: 1.660573698994156
Energy: 1.56689448297078

minimum gb energy = 1.4940940462406584 eV
minimum distance =  2.23260848875166 Angstroms
sigma value = 27


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

Energy: 1.6968203857952444
Energy: 1.4762969368004724
Energy: 1.5290098275693889
Energy: 1.5838209320368648
Energy: 1.5434103501471168
Energy: 1.5542232405828398
Energy: 1.4786357882032797
Energy: 1.6657821684441436
Energy: 1.6229249359698847
Energy: 1.5466274859355282
Energy: 1.8106927193815163
Energy: 1.6268567380802788
Energy: 1.5092710033321817
Energy: 1.6131709072408589
Energy: 1.723076488487291
Energy: 1.7142161947035253
Energy: 1.6203470653862992
Energy: 1.479666327697141
Energy: 1.5102590039035428
Energy: 1.6094903460312524
Energy: 1.7128548377858863
Energy: 1.487245348500155
Energy: 1.694782652836192
Energy: 1.4739063607618625
Energy: 1.4999729342092554
Energy: 1.6620021928045192
Energy: 1.5988710498018526
Energy: 1.4851066751799538
Energy: 1.7252966440381317
Energy: 1.661739113787168
Energy: 1.464615289858249
Energy: 1.7049873724743485
Energy: 1.5912972215094097
Energy: 1.4752962961925522
Energy: 1.609756494286653
Energy: 1.4676545220220167
Energy: 1.497551383257067
Energy: 1.7275173956665444
Energy: 1.5824635159660974
Energy: 1.5737630778300795
Energy: 1.6496006958132066
Energy: 1.7345046289685044
Energy: 1.5327578699555877
Energy: 1.6652138116006592
Energy: 1.7431298400321995
Energy: 1.4755854169630271
Energy: 1.6757001681520933
Energy: 1.6885954584052183
Energy: 1.4566922545663223
Energy: 1.557548456694824
Energy: 1.7464162330053454
Energy: 1.6342178539650505
Energy: 1.593498996469144
Energy: 1.5316100812948779
Energy: 1.4794964109888566
Energy: 1.618819441363425
Energy: 1.8573175070690844
Energy: 1.695098921061048
Energy: 1.6623488699563755
Energy: 1.6094924813045828
Energy: 1.6623167794633515
Energy: 1.715425634733185
Energy: 1.4993106157256524
Energy: 1.4696073981931355
Energy: 1.4658175376592846
Energy: 2.033702935659549
Energy: 1.471186293775397
Energy: 1.796252321904067
Energy: 1.492886535785806
Energy: 1.4828705689872173
Energy: 1.4959490181586945
Energy: 1.6618864237677264
Energy: 1.5349179429914215
Energy: 1.4923852832343631
Energy: 1.4807083811637012
Energy: 1.596120424256772
Energy: 1.615269457274267
Energy: 1.5530847976708042
Energy: 1.4707680553476055
Energy: 1.607046343126258
Energy: 1.6355909402201858
Energy: 1.4794499505342535
Energy: 1.8186225292420917
Energy: 1.4727592966649645
Energy: 1.449710367960511
Energy: 1.6458904181342284
Energy: 1.6016548002210347
Energy: 1.505802399456109
Energy: 1.6307228260017448
Energy: 1.7296355220271409
Energy: 1.4678248240191603
Energy: 1.8545985544419819
Energy: 1.570814884511639
Energy: 1.4669035648881208
Energy: 1.610664107282922
Energy: 1.8680464411417594
Energy: 1.4737454581173566
Energy: 1.72474715349064
Energy: 1.6607180512860304
Energy: 1.5807815220293318
Energy: 1.6684385118253893
Energy: 1.483385726484424
Energy: 1.481891493832869
Energy: 1.5848993655916985
Energy: 1.5795632386155714
Energy: 1.4673316347671848
Energy: 1.6134209062118563
Energy: 1.5682986280264108
Energy: 1.4823166744268945
Energy: 1.594203242345738
Energy: 1.7276349120542132
Energy: 1.4721754147562875
Energy: 1.6683820587464966
Energy: 1.5813081262246902
Energy: 1.4707410207160934
Energy: 1.724068197877301
Energy: 1.6508624178686264
Energy: 1.6609453264142255
Energy: 1.6518880272070025
Energy: 1.6041247272104846
Energy: 1.4941560885959786
Energy: 1.7051039275619526
Energy: 1.5307380099960028
Energy: 1.4702576177271276
Energy: 1.5832435284899165
Energy: 1.7078225590634593
Energy: 1.4783096098177702
Energy: 1.6489809065037002
Energy: 1.4867522376444162
Energy: 1.5268780024890571
Energy: 1.61882501635129
Energy: 1.6447322597746568
Energy: 1.4749313798760464
Energy: 1.4835352722953632
Energy: 1.6627534452574175
Energy: 1.4670978785810629
Energy: 1.792915387673588
Energy: 1.4829843515346546
Energy: 1.517273037638214
Energy: 1.4732398117142322
Energy: 1.6280743407789728
Energy: 1.5241192688395722
Energy: 1.4725775201556182
Energy: 1.4800938640883652
Energy: 1.4839245573832063
Energy: 1.8593791678287583
Energy: 1.48180982324941
Energy: 1.483593157417088
Energy: 1.6099924910908519
Energy: 1.7300714029548028

minimum gb energy = 1.449710367960511 eV
minimum distance =  2.22775135874184 Angstroms
sigma value = 19


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

Energy: 1.7610649501568352
Energy: 1.441184775621817
Energy: 1.5520261029071352
Energy: 1.5491099424122792
Energy: 1.5546004576029093
Energy: 1.462374899468437
Energy: 1.4296695242275619
Energy: 1.61059725767443
Energy: 1.441642074934196
Energy: 1.5324104011167614
Energy: 1.819997134170953
Energy: 1.6419433120373488
Energy: 1.4302217600763596
Energy: 1.4300057060492581
Energy: 1.7262416079444538
Energy: 1.7668685059452456
Energy: 1.6158785105874793
Energy: 1.4946792293012718
Energy: 1.440419563649951
Energy: 1.5095078971871092
Energy: 1.730940104712416
Energy: 1.4416521354254885
Energy: 1.6815639418270716
Energy: 1.4178748178145215
Energy: 1.5904497253732177
Energy: 1.6792708715955509
Energy: 1.521698967488277
Energy: 1.502024150114527
Energy: 1.6705842521936047
Energy: 1.667051146430761
Energy: 1.4170086988117727
Energy: 1.658114718170249
Energy: 1.5429019982219958
Energy: 1.4206427700105868
Energy: 1.650857900887494
Energy: 1.4185947727221702
Energy: 1.4406454526422907
Energy: 1.6023126831814691
Energy: 1.570192089743861
Energy: 1.5772887173686723
Energy: 1.5880458952135434
Energy: 1.664911869916634
Energy: 1.4405320911370227
Energy: 1.5701763962623605
Energy: 1.4240324124410502
Energy: 1.4059817746656196
Energy: 1.622464599529754
Energy: 1.5781983812009386
Energy: 1.4647740944895675
Energy: 1.5762110766229824
Energy: 1.8123294911783805
Energy: 1.445228945772838
Energy: 1.706115251353008
Energy: 1.5683714122361392
Energy: 1.464207635185031
Energy: 1.70785443862339
Energy: 1.7343522310668504
Energy: 1.4378328141977013
Energy: 1.6935346615504367
Energy: 1.6368515270379853
Energy: 1.4022241622772058
Energy: 1.5735157090699743
Energy: 1.4543801830013043
Energy: 1.4433518216955963
Energy: 1.4873687983900223
Energy: 1.6273567370946656
Energy: 1.4429389671772384
Energy: 1.8317798609928444
Energy: 1.4062223834404117
Energy: 1.4040679273526073
Energy: 1.4086969589464164
Energy: 1.7101043515449845
Energy: 1.7330322275267351
Energy: 1.4869453148713365
Energy: 1.9408787408575392
Energy: 1.5651806606450724
Energy: 1.7169701898048633
Energy: 1.4858357825992532
Energy: 1.4283540719553762
Energy: 1.425728530622374
Energy: 1.8164239086319929
Energy: 1.6958112924418682
Energy: 1.7227219507081752
Energy: 1.4232790836312326
Energy: 1.3936907926711344
Energy: 1.412114271548226
Energy: 1.411762798103227
Energy: 1.4021354638391288
Energy: 1.4105506468831646
Energy: 1.394143962455249
Energy: 1.4312922414281715
Energy: 1.7310128041394124
Energy: 1.3911658708757255
Energy: 1.4101182807132606
Energy: 1.3908410926200756
Energy: 1.734606865206592
Energy: 1.4256933652070245
Energy: 1.5712197764528513
Energy: 1.7247720606081862
Energy: 1.424449547622179
Energy: 1.7351081479839887
Energy: 1.4160905872477112
Energy: 1.4236621981526834
Energy: 1.61342165305166
Energy: 1.7029816589680917
Energy: 1.4762715292840685
Energy: 1.7245353877166458
Energy: 1.4220560961885287
Energy: 1.4391046169798791
Energy: 1.617051994365981
Energy: 1.4084620604551223
Energy: 1.4063475228019329
Energy: 1.6143490484653462
Energy: 1.6741093882017963
Energy: 1.4464408296196434
Energy: 1.7766529619288456
Energy: 1.5481252511180972
Energy: 1.4210594290433753
Energy: 1.5755882326335888
Energy: 1.531418011422188
Energy: 1.4373466442334488
Energy: 1.7092901484049265
Energy: 1.5865563830480007
Energy: 1.6179993818245613
Energy: 1.5917155773522529
Energy: 1.677522908783505
Energy: 1.437068493071766
Energy: 1.5808779761787999
Energy: 1.5319991710297087
Energy: 1.4333720943132893
Energy: 1.5895609448729324
Energy: 1.5969865826286649
Energy: 1.4400421739171105
Energy: 1.568253040239782
Energy: 1.7354094978980927
Energy: 1.4157796996389258
Energy: 1.680674726609625
Energy: 1.4989605607243646
Energy: 1.4412338571954095
Energy: 1.698236970248062
Energy: 1.6811727128523235
Energy: 1.4447308929501161
Energy: 1.677428398054718
Energy: 1.5734095943270354
Energy: 1.4444596488528203
Energy: 1.7416235918486411
Energy: 1.4649619617027245
Energy: 1.4167819321092523
Energy: 1.4636944082234806
Energy: 1.7422407507970383
Energy: 1.398483340717419
Energy: 1.6103548391899163
Energy: 1.5476588284722343
Energy: 1.472007079140438
Energy: 1.5868447182375751
Energy: 1.6279344120269033
Energy: 1.4400804592989733
Energy: 1.4516098623228577
Energy: 1.83856361482945
Energy: 1.6560988905474272
Energy: 1.6154091264838193
Energy: 1.4513313203574865
Energy: 1.42897165384342
Energy: 1.4323998821254562
Energy: 1.7085048531062705
Energy: 1.5624861766125782
Energy: 1.4287125981065623
Energy: 1.436761206218695
Energy: 1.5107482455304966
Energy: 1.825806449871694
Energy: 1.4661636541570866
Energy: 1.53529585078942
Energy: 1.5389972818554891
Energy: 1.7058980296706077

minimum gb energy = 1.3908410926200756 eV
minimum distance =  2.22290610044801 Angstroms
sigma value = 101


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

Energy: 1.7046064020893794
Energy: 1.3543286602254876
Energy: 1.4448744503927502
Energy: 1.4206821709859623
Energy: 1.4239170648050272
Energy: 1.7320622456716925
Energy: 1.3369756010662242
Energy: 1.573914064060707
Energy: 1.5305420511760828
Energy: 1.3854358150549944
Energy: 1.5758826194291151
Energy: 1.5193368433950512
Energy: 1.3412120216049321
Energy: 1.5226329267651226
Energy: 1.7318715803197768
Energy: 1.7385000327060809
Energy: 1.5288585577604286
Energy: 1.4495896167252749
Energy: 1.3582457131906303
Energy: 1.3668657326227254
Energy: 1.6689285994761651
Energy: 1.3856985873348773
Energy: 1.5737138509055173
Energy: 1.3590337976106457
Energy: 1.3281942703334362
Energy: 1.6528243388153818
Energy: 1.564621387635862
Energy: 1.3370406279417861
Energy: 1.6533459566836868
Energy: 1.590160529837302
Energy: 1.3615865174063595
Energy: 1.6770476874812321
Energy: 1.526220029003122
Energy: 1.3685952518072961
Energy: 1.592118117217023
Energy: 1.3626349872016688
Energy: 1.3481741597702153
Energy: 1.592391012400229
Energy: 1.555164743460795
Energy: 1.6061395886571008
Energy: 1.566535926841351
Energy: 1.5061670156791214
Energy: 1.3418681966426946
Energy: 1.522815955852231
Energy: 1.3480907509908662
Energy: 1.333459910367226
Energy: 1.6081027559605503
Energy: 1.5366082665782068
Energy: 1.3781746274816313
Energy: 1.5051238887994745
Energy: 1.6553220245352014
Energy: 1.3926563742765359
Energy: 1.5899649673000755
Energy: 1.5043688550716654
Energy: 1.3475209273589417
Energy: 1.6362488483646485
Energy: 1.5628975824167346
Energy: 1.3700527227642674
Energy: 1.5764639276649808
Energy: 1.3521233190089013
Energy: 1.348903739147673
Energy: 1.6625038669544634
Energy: 1.4159046600596383
Energy: 1.4077997747536029
Energy: 1.520421494032342
Energy: 1.63543742977554
Energy: 1.3576890960572605
Energy: 1.661350337669931
Energy: 1.630849046573802
Energy: 1.3721603272611922
Energy: 1.6331962199113523
Energy: 1.3511380057642783
Energy: 1.3393223611279101
Energy: 1.4572344252177445
Energy: 1.5128590937154598
Energy: 1.3506959393074252
Energy: 1.5272238366988526
Energy: 1.4607178728486017
Energy: 1.3414768236876409
Energy: 1.679180569896901
Energy: 1.7305417941211554
Energy: 1.3443389244000796
Energy: 1.8971863170508763
Energy: 1.3355321462556984
Energy: 1.347733103986278
Energy: 1.3451028557627662
Energy: 1.42847750936255
Energy: 1.5384703095637327
Energy: 1.372005390630225
Energy: 1.5679582036630206
Energy: 1.5490139858074452
Energy: 1.79662077211833
Energy: 1.4372196641517678
Energy: 1.3732997065253871
Energy: 1.5367338959449928
Energy: 1.374384447873707
Energy: 1.428265945479781
Energy: 1.358583574358247
Energy: 1.3599066206186112
Energy: 1.3670121472424432
Energy: 1.3705030773829459
Energy: 1.3920571316960315
Energy: 1.4280679644948293
Energy: 1.5213831716768194
Energy: 1.5679108371769654
Energy: 1.3767924265739786
Energy: 1.5629097263197103
Energy: 1.5355357722492087
Energy: 1.3929871792392836
Energy: 1.5604729999883968
Energy: 1.3518752029245789
Energy: 1.3799775111687285
Energy: 1.341974429548897
Energy: 1.7592288960962652
Energy: 1.3549655136843604
Energy: 1.6537219244361152
Energy: 1.3727482422937984
Energy: 1.3540940127128749
Energy: 1.3675020614447084
Energy: 1.518449864143348
Energy: 1.34185577358977
Energy: 1.6275338180869714
Energy: 1.66438166423729
Energy: 1.5872499247450083
Energy: 1.690701704809845
Energy: 1.446780434779301
Energy: 1.3332506037530087
Energy: 1.529666441541266
Energy: 1.7171400729962516
Energy: 1.3569488882036653
Energy: 1.6455265349306267
Energy: 1.4145833363167872
Energy: 1.3741121521632793
Energy: 1.5542847301458924
Energy: 1.5977425072025757
Energy: 1.343131411200124
Energy: 1.5960478224914105
Energy: 1.563463230695716
Energy: 1.3365514282621
Energy: 1.664375902697286
Energy: 1.513372996998852
Energy: 1.3494066817512405
Energy: 1.5203229331923123
Energy: 1.3564116695309723
Energy: 1.3403293386595878
Energy: 1.6560773345438864
Energy: 1.5014153761169127
Energy: 1.5333036856731497
Energy: 1.5184374230675495
Energy: 1.6512996438052725
Energy: 1.3994916083754065
Energy: 1.5567836416101113
Energy: 1.6095283956198203
Energy: 1.3433400732626524
Energy: 1.6242645405858043
Energy: 1.5617874775012537
Energy: 1.3360768102586285
Energy: 1.5110877859269092
Energy: 1.786676094487189
Energy: 1.340390564329352
Energy: 1.6968685273230737
Energy: 1.413266493523587
Energy: 1.3725216502194142
Energy: 1.6165970337906839
Energy: 1.6699219145298052
Energy: 1.379310317316925
Energy: 1.6559947356085356
Energy: 1.3362794771522253
Energy: 1.3570770155833862
Energy: 1.4643407208987367
Energy: 1.4379400320554698
Energy: 1.3446993038509127
Energy: 1.4378152462516447
Energy: 1.7426299133196903
Energy: 1.358570757844702
Energy: 1.4559812888733938
Energy: 1.335983183156251
Energy: 1.3820538526869939
Energy: 1.3782516864409022
Energy: 1.9259720679616539
Energy: 1.5448347128711835
Energy: 1.3590625766840296
Energy: 1.8242817657832693
Energy: 1.4791459316619409
Energy: 1.3679913491624198
Energy: 1.3882141939799446
Energy: 1.3705684460715637
Energy: 1.362479725982118
Energy: 1.5866511173267095
Energy: 1.349608681756207
Energy: 1.5156551266632368
Energy: 1.3732893854279473
Energy: 1.3647536958378321
Energy: 1.600564490794275
Energy: 1.3343291934185257
Energy: 1.3755568740191608
Energy: 1.3466239768867845
Energy: 1.7336821205475204

minimum gb energy = 1.3281942703334362 eV
minimum distance =  2.22653904614574 Angstroms
sigma value = 33


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

Energy: 0.014976295321750478
Energy: 0.016119711136360997
Energy: 0.11077042380640509
Energy: 0.10841891041651718
Energy: 0.1118492679373409
Energy: 0.01580526059782378
Energy: 0.015157231329346616
Energy: 0.10989894111418201
Energy: 0.12027234625660435
Energy: 0.19997247785480218
Energy: 0.22810668586647495
Energy: 0.11152651763805661
Energy: 1.0178206333437363
Energy: 0.1126707928150729
Energy: 0.015853032825718604
Energy: 0.016929967517331213
Energy: 0.1124991983379946
Energy: 0.11117538886128883
Energy: 0.19227035374272852
Energy: 0.10989868755801228
Energy: 0.12209369280804441
Energy: 0.1951246066401861
Energy: 0.22965601148775625
Energy: 0.11065374977796201

minimum gb energy = 0.014976295321750478 eV
minimum distance =  2.45546423022353 Angstroms
sigma value = 1