Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000077366829
cohesive_energy=4.450350029951057
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.53213822388336e-20, 1.42254058979592e-19, 2.41100346414222e-19, 3.3853671841093195e-19, 4.1388868768458594e-19, 4.67882040250386e-19, 5.07933251747118e-19, 5.40064904141988e-19, 5.66620981850538e-19, 5.88830354351046e-19, 6.075726166155779e-19, 6.2375940714888e-19, 6.38198222974488e-19, 6.51454632444204e-19, 6.63626368332702e-19, 6.7456442821302e-19, 6.841294227179999e-19, 6.92273286548622e-19, 6.990280632375659e-19, 7.043985593147339e-19, 7.083815704268579e-19, 7.11044387992566e-19, 7.1251678831921205e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110331727561279e-19, 7.084152161361718e-19, 7.04440215907218e-19, 6.987060257341319e-19, 6.90715970860374e-19, 6.798436002220499e-19, 6.653086537984019e-19, 6.46321258508868e-19, 6.22179660987756e-19, 5.92335916826238e-19, 5.5644395587137e-19, 5.14446099764328e-19, 4.66276659263118e-19, 4.11680888282934e-19, 3.5014929465416396e-19, 2.81425530115368e-19, 2.11176493421004e-19, 1.515617439171516e-19, 1.238447290196052e-19, 1.8258565138727398e-19, 4.659225782270039e-19, 1.3311364128262197e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01810388623325676
Energy: 0.1631807958755992
Energy: 1.0346774720107197
Energy: 0.1631807958755992
Energy: 0.1631807958755992
Energy: 5.2823053709483725
Energy: 0.1631807958749377
Energy: 5.282305370912172
Energy: 1.0346774720236562
Energy: 0.1631807958749377
Energy: 0.01810388623325676
Energy: 0.1631807958749377
Energy: 0.1631807958755992
Energy: 5.282305370961309
Energy: 0.1631807958749377
Energy: 5.28230537097487

minimum gb energy = 0.01810388623325676 eV
minimum distance =  1.66468139262428 Angstroms
sigma value = 1


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

Energy: 2.2231270919399844
Energy: 1.4053236026589626
Energy: 1.4075244619649807
Energy: 1.4053236026613696
Energy: 1.3547397616575656
Energy: 1.441272089310052
Energy: 1.3384650623811631
Energy: 1.4412720893076452
Energy: 1.407436092073451
Energy: 1.4054922837894215
Energy: 2.3783035459206934
Energy: 1.4054922837878168
Energy: 1.3427496614371643
Energy: 1.5143036832447239
Energy: 1.338306019245932
Energy: 1.5143036832463284
Energy: 1.9960780526621873
Energy: 1.3378904546673536
Energy: 1.3409026264603485
Energy: 1.3378904546681556
Energy: 1.431410962486057
Energy: 1.4247000739596907
Energy: 1.3376046729129603
Energy: 1.424700073960493
Energy: 1.5807889604461554
Energy: 1.4487582948137454
Energy: 2.1134530402132268
Energy: 1.448758294784061
Energy: 1.4170619097107355
Energy: 1.4145645436900405
Energy: 1.4671231270906009
Energy: 1.4145645436908427
Energy: 1.7573900840118812
Energy: 1.6313618892122501
Energy: 1.8839318817639104
Energy: 1.6313618892098432
Energy: 1.455054978188731
Energy: 1.5617017553093513
Energy: 1.4461324765793708
Energy: 1.5617017553093513
Energy: 1.9516456863061225
Energy: 1.6306585868942407
Energy: 1.8689130351819807
Energy: 1.6306585868942407
Energy: 1.4581195150820463
Energy: 1.6271074123146474
Energy: 1.4722863095192276
Energy: 1.6271074123146474
Energy: 1.5683154127752645
Energy: 1.446534806839928
Energy: 1.4522767293840344
Energy: 1.4465348068431372
Energy: 1.432357673573352
Energy: 1.448711997838491
Energy: 1.4144792117161977
Energy: 1.4487119978304681
Energy: 1.4542210173619219
Energy: 1.3373373025822672
Energy: 1.3380996519507038
Energy: 1.3373373025838722
Energy: 1.3921887025036515
Energy: 1.3374972329220642
Energy: 1.3379275395212906
Energy: 1.3374972329220642
Energy: 1.4054502975679197
Energy: 1.4051344516430508
Energy: 2.50250009254509
Energy: 1.4051344516438533
Energy: 1.3380524983903235
Energy: 1.3420151610624298
Energy: 1.3691593195628342
Energy: 1.3420151610632323
Energy: 2.3715102696051904
Energy: 1.4049690002027229
Energy: 1.407999592279994
Energy: 1.4049690002043276
Energy: 1.4316951276403727
Energy: 1.3420800709306824
Energy: 1.3408057479505269
Energy: 1.3420800709338918
Energy: 1.336988097333121
Energy: 1.342267798542662
Energy: 1.4139406922649118
Energy: 1.342267798545069
Energy: 1.3375717329846761
Energy: 1.337398260451953
Energy: 1.4318084650985883
Energy: 1.3373982604511507
Energy: 1.4527845916429927
Energy: 1.4478860215244171
Energy: 1.414192970076368
Energy: 1.4478860215260219
Energy: 1.4674835263236372
Energy: 1.4491067673148978
Energy: 1.415919457144426
Energy: 1.4491067673124909
Energy: 1.449695933819197
Energy: 1.6309484556072231
Energy: 1.7586348893353276
Energy: 1.6309484556072231
Energy: 1.4481361880684143
Energy: 1.6308301215857388
Energy: 1.4581993422626534
Energy: 1.630830121586541
Energy: 1.9032096047513771
Energy: 1.6317735435891478
Energy: 1.4472591721070345
Energy: 1.6317735435907523
Energy: 1.468670591376783
Energy: 1.6271187000584322
Energy: 1.4502065681082585
Energy: 1.627118700055223
Energy: 1.4527740018257262
Energy: 1.4455277237525201
Energy: 1.568681889235359
Energy: 1.4455277237541246
Energy: 1.4515789266145376
Energy: 1.4489541543912494
Energy: 1.432858581253259
Energy: 1.4489541543928537
Energy: 1.336513925655099
Energy: 1.336659055698521
Energy: 1.3661967965070234
Energy: 1.3366590556993232
Energy: 1.3372977342185162
Energy: 1.3368991516547024
Energy: 1.4778056609012375
Energy: 1.3368991516555049
Energy: 2.460971252458749
Energy: 1.4050960567706487
Energy: 1.4072165291904395
Energy: 1.4050960567706487

minimum gb energy = 1.336513925655099 eV
minimum distance =  2.26612393659786 Angstroms
sigma value = 1


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

Energy: 2.503867854892985
Energy: 1.4786399227704508
Energy: 1.4803112897403343
Energy: 1.478639922768621
Energy: 1.4310426884782113
Energy: 1.5139221382148988
Energy: 1.4085923761609995
Energy: 1.5139221382176429
Energy: 1.4790105013198631
Energy: 1.478275832154778
Energy: 2.3381561470926853
Energy: 1.4782758321483747
Energy: 1.4136985376001787
Energy: 1.5955470721086016
Energy: 1.4093864708067791
Energy: 1.5955470721150047
Energy: 1.5504593332876753
Energy: 1.4086807725339254
Energy: 1.4087817450201294
Energy: 1.4086807725421582
Energy: 1.5198834891660291
Energy: 1.409045980440764
Energy: 1.409676471029603
Energy: 1.4090459804288722
Energy: 1.686878327916258
Energy: 1.5986819871395876
Energy: 2.0405155941026702
Energy: 1.5986819871432465
Energy: 1.5032966068690587
Energy: 1.5262349261669776
Energy: 1.5559601606187903
Energy: 1.526234926162404
Energy: 2.038048242364993
Energy: 1.7235865960601446
Energy: 1.9102352301333754
Energy: 1.723586596058315
Energy: 1.553781341007813
Energy: 1.6840089194239471
Energy: 1.535633484325495
Energy: 1.684008919421203
Energy: 2.1472213999938847
Energy: 1.6000464325109465
Energy: 1.6820769492848329
Energy: 1.6000464325127761
Energy: 1.50058833411498
Energy: 1.5991717807770132
Energy: 1.5212123780830331
Energy: 1.5991717807825019
Energy: 1.4107441305488118
Energy: 1.4078520337686922
Energy: 2.158725060548757
Energy: 1.4078520337613742
Energy: 1.4078575602597443
Energy: 1.40783316917171
Energy: 1.4646620085546225
Energy: 1.4078331691744543
Energy: 2.482075129854935
Energy: 1.4797571574052917
Energy: 1.4794981463244459
Energy: 1.4797571574089505
Energy: 1.4502571519248668
Energy: 1.4146921887909065
Energy: 1.4093380168244398
Energy: 1.414692188788162
Energy: 1.4782658803840691
Energy: 1.4785369351204178
Energy: 1.5091019664474215
Energy: 1.4785369351213324
Energy: 1.4142010684541575
Energy: 1.4151575986056788
Energy: 1.5198706496354801
Energy: 1.4151575986047638
Energy: 1.5506157568300667
Energy: 1.4157152863623463
Energy: 1.4093906026306027
Energy: 1.41571528636692
Energy: 1.520501085454464
Energy: 1.4094874001742486
Energy: 1.409836156890672
Energy: 1.4094874001779076
Energy: 1.6865086398013642
Energy: 1.5984701619806423
Energy: 2.046079859059059
Energy: 1.5984701619769832
Energy: 1.5012771411345618
Energy: 1.598427073414438
Energy: 1.5518143739833898
Energy: 1.5984270734153527
Energy: 2.052016903309371
Energy: 1.724686317894354
Energy: 1.52351033432727
Energy: 1.7246863178980127
Energy: 1.553537995807146
Energy: 1.724873015124525
Energy: 1.534967126011369
Energy: 1.724873015119993
Energy: 1.536375072392166
Energy: 1.5992283449850693
Energy: 1.5513696903630918
Energy: 1.5992283449887281
Energy: 1.5367247908190917
Energy: 1.6010166900038174
Energy: 1.5192800852866046
Energy: 1.601016690001073
Energy: 1.4090891425012269
Energy: 1.4077273136995767
Energy: 1.449572691236388
Energy: 1.407727313700491
Energy: 1.4082786838753827
Energy: 1.4079533399941053
Energy: 1.559575458206834
Energy: 1.407953339998679
Energy: 1.5599833215847319
Energy: 1.4788687623517758
Energy: 1.4809473516213982
Energy: 1.4788687623453727

minimum gb energy = 1.4077273136995767 eV
minimum distance =  2.26490920167053 Angstroms
sigma value = 25


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

Energy: 2.2188977837623645
Energy: 1.559772067904703
Energy: 1.5590992477361447
Energy: 1.559772067904703
Energy: 1.523076610741546
Energy: 1.5927138102231047
Energy: 1.4896760219693226
Energy: 1.592713810220978
Energy: 1.5591818495933756
Energy: 1.5594260225195837
Energy: 2.0234229579062504
Energy: 1.5594260225195837
Energy: 1.502023543855456
Energy: 1.592093425985061
Energy: 1.4899770135474943
Energy: 1.5920934259861241
Energy: 2.2800099029686756
Energy: 1.491090422772042
Energy: 1.4907854679834214
Energy: 1.4910904227731057
Energy: 1.6256848715795913
Energy: 1.4917308035213486
Energy: 1.4905531099226257
Energy: 1.491730803522412
Energy: 1.8486939615705322
Energy: 1.7163483229417655
Energy: 1.6876697874504047
Energy: 1.716348322940702
Energy: 1.5942965941616172
Energy: 1.7217597695257039
Energy: 1.6566832900703858
Energy: 1.7217597695257039
Energy: 2.0355774875489474
Energy: 1.7167563708370788
Energy: 2.1062029030571403
Energy: 1.7167563708360152
Energy: 1.6264161299704893
Energy: 1.717515717031721
Energy: 1.6058739292496158
Energy: 1.717515717031721
Energy: 2.4235706840732183
Energy: 1.4909766313435155
Energy: 1.492121966876791
Energy: 1.4909766313435155
Energy: 1.5432260818253387
Energy: 1.4899184644417698
Energy: 1.490114633532969
Energy: 1.4899184644428332
Energy: 1.5580244779996777
Energy: 1.558901899398348
Energy: 1.6548979583965056
Energy: 1.558901899398348
Energy: 1.4905972695182872
Energy: 1.5008793580815885
Energy: 1.548565677737509
Energy: 1.500879358077335
Energy: 1.4898959093655866
Energy: 1.5579917929693807
Energy: 1.5588268973903738
Energy: 1.557991792967254
Energy: 1.624210299884207
Energy: 1.5016493885697852
Energy: 1.5019042228371562
Energy: 1.5016493885697852
Energy: 1.4899152842774752
Energy: 1.5004662769513741
Energy: 1.657307233283501
Energy: 1.5004662769492474
Energy: 1.4903942097859457
Energy: 1.4908064812718211
Energy: 1.6254211244549293
Energy: 1.4908064812728845
Energy: 1.6878066938102496
Energy: 1.7164478248381858
Energy: 1.6271557459799102
Energy: 1.7164478248381858
Energy: 1.6572726118395025
Energy: 1.717734079207443
Energy: 1.6247212156643338
Energy: 1.717734079207443
Energy: 1.6525640223743627
Energy: 1.7165787364029734
Energy: 1.833913971183632
Energy: 1.71657873640191
Energy: 1.6527383582407227
Energy: 1.7163605297399944
Energy: 1.6260213537034476
Energy: 1.7163605297378677
Energy: 1.4928276153394793
Energy: 1.4901521049870992
Energy: 1.6524311852328581
Energy: 1.4901521049892261
Energy: 1.4901946806686666
Energy: 1.4898538156055134
Energy: 1.6525668761371564
Energy: 1.4898538156076402
Energy: 1.5450184618680725
Energy: 1.5591331007706177
Energy: 1.558694517169905
Energy: 1.5591331007706177

minimum gb energy = 1.4896760219693226 eV
minimum distance =  2.26358417341758 Angstroms
sigma value = 9


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

Energy: 2.398273791300156
Energy: 1.6467787362657653
Energy: 1.6463046855094137
Energy: 1.646778736263228
Energy: 1.6534018229133352
Energy: 1.6789319178601494
Energy: 1.6042693752929915
Energy: 1.678931917858881
Energy: 1.6461243897004958
Energy: 1.6464549869711151
Energy: 2.6594966621149694
Energy: 1.6464549869673093
Energy: 1.594565064618438
Energy: 1.677713336977435
Energy: 1.604556948646292
Energy: 1.6777133369761663
Energy: 2.0254007543707715
Energy: 1.5900396071414735
Energy: 1.8035227447024105
Energy: 1.5900396071414735
Energy: 1.7359744746745867
Energy: 1.603700360028471
Energy: 1.8040120150838364
Energy: 1.6037003600272024
Energy: 1.6810052639416202
Energy: 1.8185908027085864
Energy: 1.7684153913468137
Energy: 1.8185908027085864
Energy: 1.6051630034984994
Energy: 1.8202055741390348
Energy: 1.7370881084525274
Energy: 1.8202055741403036
Energy: 1.589386122627417
Energy: 1.591613611853665
Energy: 2.3582433666781446
Energy: 1.5916136118562019
Energy: 1.604827051569817
Energy: 1.5912854274647683
Energy: 1.4928319053519832
Energy: 1.5912854274660369
Energy: 2.357557731211688
Energy: 1.645972097596238
Energy: 1.6446617670112098
Energy: 1.6459720975924326
Energy: 1.6913759592988622
Energy: 1.59453923849696
Energy: 1.604046427779453
Energy: 1.5945392384982284
Energy: 1.648250413789133
Energy: 1.6458133973635487
Energy: 1.7315770242571564
Energy: 1.6458133973648172
Energy: 1.5956707422231085
Energy: 1.5980691071371398
Energy: 1.7346963042641115
Energy: 1.5980691071396769
Energy: 1.5987273296186522
Energy: 1.6063825692962497
Energy: 1.8026724335397888
Energy: 1.6063825692962497
Energy: 1.7361341394789824
Energy: 1.5913960264588967
Energy: 1.6026873957798058
Energy: 1.5913960264576283
Energy: 1.6916307762558305
Energy: 1.8210725033066013
Energy: 2.2561991036321336
Energy: 1.8210725033040644
Energy: 1.6889203739842436
Energy: 1.8192080457094646
Energy: 1.7391979969875158
Energy: 1.81920804571327
Energy: 1.5881110085447496
Energy: 1.591994410537743
Energy: 1.77049382253864
Energy: 1.5919944105390114
Energy: 1.604816242734519
Energy: 1.5913931001429535
Energy: 1.7702097219420265
Energy: 1.5913931001429535
Energy: 1.4907528926452949
Energy: 1.6458147718954774
Energy: 1.6466939663677682
Energy: 1.6458147718979859

minimum gb energy = 1.4907528926452949 eV
minimum distance =  2.26500026593439 Angstroms
sigma value = 25


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

Energy: 1.8566883034521573
Energy: 1.7384776991139272
Energy: 1.7380830584573423
Energy: 1.7384776991139272
Energy: 1.6968229013255953
Energy: 1.693388984128942
Energy: 1.6095217750322135
Energy: 1.693388984128942
Energy: 1.7378454622916868
Energy: 1.7389730964170018
Energy: 2.629341660092246
Energy: 1.738973096415433
Energy: 1.5623069393232518
Energy: 1.6931806144792834
Energy: 1.6070100151038154
Energy: 1.6931806144777146
Energy: 1.7070495115884676
Energy: 1.8307914963057264
Energy: 1.9646929428803919
Energy: 1.830791496307295
Energy: 1.5620938219292049
Energy: 1.963245103953849
Energy: 1.9700300680993617
Energy: 1.963245103953849
Energy: 2.3633826290544073
Energy: 1.7160981273994316
Energy: 1.96140087386497
Energy: 1.7160981274010005
Energy: 1.5546265259308085
Energy: 1.6957495328799077
Energy: 1.6089745591046563
Energy: 1.6957495328799077
Energy: 1.736811581358228
Energy: 1.7379620468357269
Energy: 2.5920275734128935
Energy: 1.7379620468357269
Energy: 1.6059726853904646
Energy: 1.7398170050867916
Energy: 1.5535865397767465
Energy: 1.7398170050867916
Energy: 2.5473421771692815
Energy: 1.7383963427465652
Energy: 1.7413498928796456
Energy: 1.7383963427465652
Energy: 1.735117282877315
Energy: 1.7412296873965174
Energy: 1.7408292243120402
Energy: 1.7412296873965174
Energy: 1.979975998488574
Energy: 1.8293745155285723
Energy: 1.7071325334631635
Energy: 1.8293745155285723
Energy: 1.9709062447533316
Energy: 1.962968057458409
Energy: 1.5648771716291148
Energy: 1.962968057458409
Energy: 1.9592828716009694
Energy: 1.7182614749186418
Energy: 1.5541809044620887
Energy: 1.7182614749186418
Energy: 1.6047842826689156
Energy: 1.69575144936811
Energy: 1.5553073399227464
Energy: 1.6957514493414765
Energy: 2.604385295586119
Energy: 1.7387351232728252
Energy: 1.738719105680134
Energy: 1.7387351232743942

minimum gb energy = 1.5535865397767465 eV
minimum distance =  2.26679395507539 Angstroms
sigma value = 17


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

Energy: 2.6645377528905527
Energy: 1.8918832383461508
Energy: 1.8924215631460515
Energy: 1.8918832383479278
Energy: 1.6473097464485003
Energy: 1.722209393986315
Energy: 2.1721379021970937
Energy: 1.7222093939854266
Energy: 1.6923154231436188
Energy: 1.6926577060775414
Energy: 2.7663619597148696
Energy: 1.6926577060775414
Energy: 1.8827484865887902
Energy: 1.8837205964984025
Energy: 1.718670411114961
Energy: 1.8837205964984025
Energy: 2.18993144015304
Energy: 1.8625743096306997
Energy: 2.0544396759130668
Energy: 1.862574309629811
Energy: 1.6921802112530242
Energy: 1.8295424962986175
Energy: 1.8830169694808292
Energy: 1.829542496297729
Energy: 1.7876968048451778
Energy: 1.6918653599196194
Energy: 1.694031643938673
Energy: 1.6918653599187308
Energy: 2.7478622927169902
Energy: 1.690606076592893
Energy: 1.692820590298352
Energy: 1.690606076591116
Energy: 1.8940613283520293
Energy: 1.8914872056900807
Energy: 1.923507150340702
Energy: 1.8914872056900807
Energy: 1.929568116596045
Energy: 1.896618607870003
Energy: 1.936199821501556
Energy: 1.8966186078691143
Energy: 2.170199345270813
Energy: 2.0398351813294675
Energy: 1.8244144168226695
Energy: 2.0398351813294675
Energy: 2.4788319417903777
Energy: 1.8204925262777658
Energy: 1.8321776851977332
Energy: 1.820492526276877
Energy: 2.161477738348712
Energy: 1.6826631571969528
Energy: 1.822339311968892
Energy: 1.6826631571951758
Energy: 1.9738567458838865
Energy: 2.030233967873413
Energy: 1.6290795384549488
Energy: 2.0302339678654167
Energy: 1.8937531682769868
Energy: 1.8939687403765662
Energy: 2.0721569957748183
Energy: 1.8939687403756778
Energy: 1.894170020555205
Energy: 1.892401935416874
Energy: 2.0700369810576524
Energy: 1.8924019354177621
Energy: 2.2850896187065755
Energy: 1.690900837469316
Energy: 1.6945166728161956
Energy: 1.6909008374684273
Energy: 2.3403557111630717
Energy: 1.691210055672895
Energy: 1.6918475970126885
Energy: 1.691210055674672
Energy: 1.884330510350406
Energy: 2.2359178345429904
Energy: 2.1223699945282446
Energy: 2.235918434028013
Energy: 2.042561408840704
Energy: 1.8649112774372691
Energy: 2.1203749946556365
Energy: 1.8649112774363807
Energy: 1.8849721168016214
Energy: 1.7197765153928422
Energy: 2.4116144881582766
Energy: 1.7197765153928422
Energy: 1.6918448311316157
Energy: 1.6939447976773645
Energy: 2.2909741044535386
Energy: 1.6939447976764759
Energy: 2.0024321799790084
Energy: 1.9590167397166443
Energy: 1.83836475156458
Energy: 1.9590167397184213
Energy: 2.3979821748168533
Energy: 1.8913654738375938
Energy: 1.8937276658214457
Energy: 1.8913654738393304
Energy: 1.633568154597068
Energy: 1.983615655990268
Energy: 2.518711192700279
Energy: 1.983615655988491
Energy: 1.825505267629287
Energy: 1.6843551851139646
Energy: 1.9868212643867653
Energy: 1.6843551851130762
Energy: 1.6277863358981561
Energy: 1.639311500165608
Energy: 1.8433738268936055
Energy: 1.639311500167385
Energy: 1.8240601838090378
Energy: 1.685034687923428
Energy: 2.6352808333762896
Energy: 1.685034687923428
Energy: 1.6328147880020418
Energy: 1.98143168584872
Energy: 2.166211034937515
Energy: 1.9814316858478316
Energy: 2.5764695257954884
Energy: 1.89113109653101
Energy: 1.8943642024079488
Energy: 1.8911310965318986

minimum gb energy = 1.6277863358981561 eV
minimum distance =  2.25202519609347 Angstroms
sigma value = 53


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

Energy: 2.8256982959773675
Energy: 1.7809105000818455
Energy: 1.7820296662731339
Energy: 1.7809105000798
Energy: 1.7843385478645681
Energy: 2.5271664870349895
Energy: 2.1770479649751913
Energy: 2.5271593433990307
Energy: 1.7781044483972075
Energy: 1.7795556506378178
Energy: 1.8901787392942115
Energy: 1.7795556505110464
Energy: 1.7847790575664892
Energy: 1.6524962650901829
Energy: 1.7805212748288985
Energy: 1.6524962650881372
Energy: 2.169654501568103
Energy: 1.6510200069788818
Energy: 1.5293582652104
Energy: 1.6510200069809275
Energy: 1.7850852336967926
Energy: 1.6525830067864666
Energy: 1.531958076384115
Energy: 1.6525830066658782
Energy: 2.7834694253994905
Energy: 1.7767735854982876
Energy: 1.7758092549597355
Energy: 1.7767735854982876
Energy: 2.7787561002566274
Energy: 1.7781681347999765
Energy: 2.1795925886243497
Energy: 1.7781681347958855
Energy: 1.7832870869134445
Energy: 1.7859458531790942
Energy: 1.818356087021999
Energy: 1.7859458531750032
Energy: 1.783923300930594
Energy: 1.7851894280967746
Energy: 2.167446565165792
Energy: 1.7851894280947294
Energy: 2.163495248502989
Energy: 2.1974457577452253
Energy: 1.5596802788277788
Energy: 2.19744575769209
Energy: 2.1701785213773643
Energy: 1.6569498116861145
Energy: 1.5295107409662159
Energy: 1.6569498116840693
Energy: 2.7803523311091443
Energy: 1.7797277612582636
Energy: 2.172255095850049
Energy: 1.7797277612582636

minimum gb energy = 1.5293582652104 eV
minimum distance =  2.28070888510343 Angstroms
sigma value = 9


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

Energy: 2.368856742743134
Energy: 1.984647071334308
Energy: 1.9854298352300315
Energy: 1.9846470713305229
Energy: 1.68662958268658
Energy: 1.6660396790211809
Energy: 2.2928112528417164
Energy: 1.6660396790189098
Energy: 1.66852433545905
Energy: 1.6689204588644027
Energy: 2.3583762094295926
Energy: 1.6689204588628883
Energy: 1.6704269740394193
Energy: 1.6688690876270795
Energy: 2.137195110849681
Energy: 1.6688690876316221
Energy: 1.6683883113627012
Energy: 1.6648145201351319
Energy: 2.57188054457365
Energy: 1.664814520133618
Energy: 1.6667325976681255
Energy: 1.665011226571613
Energy: 2.5786148380532836
Energy: 1.665011226570856
Energy: 2.500943506269141
Energy: 1.97556772971639
Energy: 1.9925940510695908
Energy: 1.975567729715633
Energy: 2.1842199414470103
Energy: 1.9714785217921522
Energy: 1.9723009978142125
Energy: 1.9714785217944233
Energy: 1.902427314278714
Energy: 1.886516121364126
Energy: 1.889880624512388
Energy: 1.8865161218370787
Energy: 1.6587556137482684
Energy: 1.9941655749094989
Energy: 2.3593424953547566
Energy: 1.9941655749110132
Energy: 1.7570476687417167
Energy: 1.7567886009345846
Energy: 1.8450103956564678
Energy: 1.7567886009345846
Energy: 1.7787702241153165
Energy: 1.7827920803077817
Energy: 2.576796090030713
Energy: 1.7827920803017252
Energy: 2.382391392802139
Energy: 1.75649578383642
Energy: 1.7834027711129883
Energy: 1.75649578383642
Energy: 2.5765513557959876
Energy: 1.7586173975545072
Energy: 1.7610140794213958
Energy: 1.7586173975560213
Energy: 2.09694406936341
Energy: 1.9077785701020415
Energy: 2.066384981060115
Energy: 1.9077785698810503
Energy: 2.10256068321105
Energy: 1.8014038719419867
Energy: 2.0595047810012903
Energy: 1.8014038719571275
Energy: 2.3408813738033185
Energy: 2.3883727273237554
Energy: 1.6737016473459967
Energy: 2.388372727462984
Energy: 1.9823314072019254
Energy: 1.981016607921401
Energy: 2.36757302349415
Energy: 1.981016607919887
Energy: 2.2866546837476904
Energy: 1.9708342462715382
Energy: 1.6678826023263087
Energy: 1.9708342462700243
Energy: 2.3576807551187287
Energy: 1.6697788426111395
Energy: 1.687871017052728
Energy: 1.6697788426111395
Energy: 2.3261657522963364
Energy: 1.666600222719013
Energy: 1.6673377836927619
Energy: 1.6666002227174987
Energy: 2.586861196854659
Energy: 1.6641671820543396
Energy: 1.6651806453606608
Energy: 1.6641671820566104
Energy: 2.571948317531996
Energy: 1.6651456717164865
Energy: 1.666978090771386
Energy: 1.6651456717187578
Energy: 1.998021890559613
Energy: 1.9729390367294337
Energy: 2.1297659372118254
Energy: 1.9729390367317046
Energy: 1.9723745685637601
Energy: 1.9710003777217335
Energy: 2.2692912648324133
Energy: 1.9710003777224907
Energy: 1.885884853391028
Energy: 1.995220360515805
Energy: 1.8893927399615167
Energy: 1.9952204290631101
Energy: 2.3613005143034993
Energy: 2.0186763203677134
Energy: 1.6597223364161853
Energy: 2.0186763203752838
Energy: 1.8449253875961489
Energy: 1.7556962059094137
Energy: 1.898837967517682
Energy: 1.7556962059086565
Energy: 2.5876336804043607
Energy: 1.7751626090924224
Energy: 1.7745125891437368
Energy: 1.77516260909022
Energy: 1.7849086325089762
Energy: 1.7580693084885142
Energy: 2.7730439795223196
Energy: 1.7580693084900283
Energy: 1.7639705367850933
Energy: 1.7596150474649916
Energy: 2.2266547008337687
Energy: 1.7596150474642347
Energy: 1.9020336407170173
Energy: 1.9775908197078846
Energy: 2.097362956773336
Energy: 1.977590819594395
Energy: 1.887769920046803
Energy: 1.9117126310581374
Energy: 2.104203592491284
Energy: 1.911712631055866
Energy: 1.7591334574300632
Energy: 2.4559084928831068
Energy: 2.1015233754847773
Energy: 2.455908507642162
Energy: 2.3629322982580665
Energy: 1.9786658772130157
Energy: 1.9792103006701698
Energy: 1.9786658772137726

minimum gb energy = 1.6587556137482684 eV
minimum distance =  2.25316376588278 Angstroms
sigma value = 73


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

Energy: 2.618712426330943
Energy: 1.9163271338825913
Energy: 1.9177600158738302
Energy: 1.9163271338825913
Energy: 1.7052299110545166
Energy: 2.1020573449543405
Energy: 2.1259553379946015
Energy: 2.1020573444608948
Energy: 1.7044831290196696
Energy: 1.7016206056527656
Energy: 2.221261687304149
Energy: 1.701620605658771
Energy: 1.7072812572833782
Energy: 1.7069542629204717
Energy: 1.9730537398529278
Energy: 1.706954262921673
Energy: 1.7045982022662864
Energy: 1.7054224146047583
Energy: 2.560480101375023
Energy: 1.7054224146047583
Energy: 1.812525055146656
Energy: 2.1814214361750444
Energy: 2.503284398936059
Energy: 2.181421436178648
Energy: 1.7911396269553523
Energy: 1.9496602132420555
Energy: 1.983823393726381
Energy: 1.9496602132420555
Energy: 1.7939546430614732
Energy: 1.941259833117792
Energy: 1.9440895805467087
Energy: 1.941259833116591
Energy: 1.7714175837626083
Energy: 2.2495033750522233
Energy: 2.206205457027001
Energy: 2.2495036923000384
Energy: 1.7756413150696049
Energy: 2.030550079021084
Energy: 2.2229678315827814
Energy: 2.030550079018682
Energy: 1.771570598419069
Energy: 1.6770107654497484
Energy: 1.6745883985972556
Energy: 1.6770107654497484
Energy: 1.765236121905322
Energy: 1.7658843465650673
Energy: 2.3748346535894944
Energy: 1.7658843465662686
Energy: 2.211110249736839
Energy: 1.679726165814768
Energy: 1.6774194679504764
Energy: 1.6797261658171705
Energy: 2.207550308041033
Energy: 1.7895014206787379
Energy: 1.8633822446930508
Energy: 1.7895014206799391
Energy: 1.9785478017307403
Energy: 1.8690900043058825
Energy: 1.8552361864400742
Energy: 1.8690900042675012
Energy: 2.5088745835177444
Energy: 1.7589417034157087
Energy: 1.7583834588495564
Energy: 1.7589417034157087
Energy: 2.3937350255402388
Energy: 2.308316053919703
Energy: 1.784356683812154
Energy: 2.308316053918502
Energy: 1.9203328391186034
Energy: 1.9210020583280618
Energy: 1.7873910693871837
Energy: 1.9210020583268606
Energy: 2.069442707118533
Energy: 1.8984651199707936
Energy: 1.7959086166198037
Energy: 1.8984651199719946
Energy: 2.1533460907901913
Energy: 2.0738402709858934
Energy: 2.0662013581415892
Energy: 2.0738402709955026
Energy: 2.0640469013960097
Energy: 2.144612325979786
Energy: 1.867794693781409
Energy: 2.1446123259809866
Energy: 2.5110691445423345
Energy: 1.8864568573524194
Energy: 1.8873851197182367
Energy: 1.8864568573500171

minimum gb energy = 1.6745883985972556 eV
minimum distance =  2.24354233218691 Angstroms
sigma value = 7


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

Energy: 3.146266532961256
Energy: 1.9194688570500051
Energy: 1.9191945385240672
Energy: 1.9194688570483065
Energy: 1.7023462495892285
Energy: 2.0603972413350795
Energy: 1.9824511327985657
Energy: 2.0603964852930017
Energy: 1.7000926974268078
Energy: 1.7001831848384326
Energy: 1.9680368167128373
Energy: 1.7001831848358848
Energy: 1.6973235069368051
Energy: 1.6978916661773211
Energy: 2.007049429819617
Energy: 1.6978916661739236
Energy: 1.7173487782014605
Energy: 1.7131485887206068
Energy: 2.202787521356623
Energy: 1.7131485887206068
Energy: 1.7019460914290796
Energy: 1.7138531080341832
Energy: 2.2049256237807393
Energy: 1.7138531080324844
Energy: 2.8002644136168593
Energy: 1.712461162084977
Energy: 1.706796686535464
Energy: 1.712461162084128
Energy: 2.3575882534681254
Energy: 1.711781174915927
Energy: 1.7100172998718275
Energy: 1.7117811749116805
Energy: 2.082459898650944
Energy: 1.69720424038986
Energy: 1.6970789904850905
Energy: 1.6972042403966543
Energy: 2.208784152188985
Energy: 2.088839006649037
Energy: 1.7039993540051297
Energy: 2.088839063644942
Energy: 1.868896061987197
Energy: 1.8686942729209834
Energy: 1.6950214797294216
Energy: 1.8686942729226816
Energy: 1.880457704410802
Energy: 1.8820853489213445
Energy: 2.4251449366810327
Energy: 1.8820853489204952
Energy: 2.132358504860465
Energy: 2.105566857510445
Energy: 1.8753222400711793
Energy: 2.1055668575028013
Energy: 2.1179741029795105
Energy: 1.8018543560339102
Energy: 1.711354039524684
Energy: 1.801854356038157
Energy: 1.714726000904724
Energy: 2.0095221988440906
Energy: 1.7187971628393213
Energy: 1.9980698611151524
Energy: 2.869101263017518
Energy: 1.8806848114948997
Energy: 1.8780835409731975
Energy: 1.880684811493201
Energy: 1.703287676038206
Energy: 1.8693646045006291
Energy: 2.03483515589776
Energy: 1.8693646044989303
Energy: 1.7042809740883405
Energy: 2.0848568344815392
Energy: 2.1140827511183797
Energy: 2.084856834484087
Energy: 1.8448761000824145
Energy: 1.6988385060128326
Energy: 2.365715565295672
Energy: 1.6988385060153806
Energy: 1.7154618195226556
Energy: 1.710757210025937
Energy: 2.9038132698161663
Energy: 1.7107572100293345
Energy: 1.7067927195435915
Energy: 1.7131126120048752
Energy: 2.205739515553072
Energy: 1.7131126120176152
Energy: 2.4225294941146
Energy: 1.7131990614668768
Energy: 1.7003438818783283
Energy: 1.7131990614668768
Energy: 2.379374108801771
Energy: 1.7138992028376492
Energy: 1.7132960142197493
Energy: 1.7138992028342517
Energy: 2.0061264735441093
Energy: 1.6970183315288496
Energy: 1.6981680481732417
Energy: 1.6970183315263019
Energy: 2.205378850682284
Energy: 2.0340180466259743
Energy: 1.7017298979670856
Energy: 2.0340180466242757
Energy: 2.2298386689837204
Energy: 2.0394482991934066
Energy: 1.7158638212961395
Energy: 2.0394482992435172
Energy: 1.9191725280384488
Energy: 1.9189882000043803
Energy: 2.5342708038916264
Energy: 1.9189882000001337
Energy: 1.9702875021238913
Energy: 2.0587337158177057
Energy: 1.713922094590502
Energy: 2.058733715826199
Energy: 2.107468482748251
Energy: 1.8032312637998562
Energy: 1.9697850726847204
Energy: 1.8032312638015549
Energy: 1.987952318242308
Energy: 2.0903257940479927
Energy: 1.7112800025430763
Energy: 2.0903329706576845
Energy: 2.562654411109211
Energy: 1.8744946709789805
Energy: 1.875471163869215
Energy: 1.8744946709730355

minimum gb energy = 1.6950214797294216 eV
minimum distance =  2.25334827888261 Angstroms
sigma value = 29


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

Energy: 1.5906888005287028
Energy: 1.7648355617303948
Energy: 1.6503497035951726
Energy: 1.7648356395332554
Energy: 1.6357495486779245
Energy: 1.7573314284579666
Energy: 1.6348251581529618
Energy: 1.757331428457112
Energy: 1.6493151987112555
Energy: 1.7738800995061497
Energy: 1.589808681099572
Energy: 1.7738800995064457
Energy: 1.6191754123102848
Energy: 1.6220906607476357
Energy: 1.6796763474203964
Energy: 1.6220906607473398
Energy: 1.62317106733501
Energy: 1.6399636879135608
Energy: 1.5976195985847041
Energy: 1.6399636878967963
Energy: 1.649278092503201
Energy: 1.739800716197336
Energy: 1.6004142201872875
Energy: 1.7398007161982236
Energy: 1.5908209058385376
Energy: 1.7740252303787205
Energy: 1.680738736639903
Energy: 1.774025230384506
Energy: 1.632851198071681
Energy: 1.6409281900268857
Energy: 1.615783869559349
Energy: 1.6409281900266226
Energy: 1.6001083622858727
Energy: 1.6278758833557052
Energy: 1.6319830013730237
Energy: 1.6278758833565596

minimum gb energy = 1.589808681099572 eV
minimum distance =  2.29075804931041 Angstroms
sigma value = 5


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

Energy: 2.4626903465110606
Energy: 1.8223742730534342
Energy: 1.826615646616227
Energy: 1.8223742730582482
Energy: 1.921559499268687
Energy: 2.0538202153580536
Energy: 2.025933651515373
Energy: 2.0538202153588556
Energy: 1.960123486634556
Energy: 2.014966746506312
Energy: 1.9672262956096718
Energy: 2.014966746511126
Energy: 1.7780185129235562
Energy: 2.019082576846976
Energy: 1.995570843300503
Energy: 2.019083639902299
Energy: 1.9356549532098626
Energy: 1.5958666166993205
Energy: 1.8218074770013684
Energy: 1.5958666166961115
Energy: 1.6405869818907537
Energy: 1.6084347787780167
Energy: 1.7746650107011905
Energy: 1.6084347787804236
Energy: 1.5741039867579185
Energy: 1.5737858122377695
Energy: 1.9957056110626865
Energy: 1.5737858122385715
Energy: 1.577199047714586
Energy: 1.989507665953579
Energy: 2.12694459591366
Energy: 1.9895076844422315
Energy: 2.030108685220484
Energy: 2.1769567889369075
Energy: 2.1151514929806576
Energy: 2.176956788941721
Energy: 2.1325754536109582
Energy: 1.553565857363246
Energy: 1.5634615793532123
Energy: 1.5535658576936437
Energy: 1.897004547083349
Energy: 1.5496204985231703
Energy: 1.5533658276504254
Energy: 1.5496204985344024
Energy: 2.109753535530514
Energy: 1.5564399357755854
Energy: 1.5709005042058843
Energy: 1.5564399357771903
Energy: 2.112532038681473
Energy: 1.5667159312470118
Energy: 1.648066993263803
Energy: 1.5667159312357795
Energy: 1.7658973950539971
Energy: 1.9794252329741402
Energy: 2.1052199805764764
Energy: 1.9794252329757445
Energy: 1.716964871680692
Energy: 1.839357350687311
Energy: 2.1019445997948485
Energy: 1.8393573506881136
Energy: 1.716508982957976
Energy: 1.5301743211058685
Energy: 1.6843410565699204
Energy: 1.53017533420712
Energy: 1.6900340832115066
Energy: 1.6643123634577155
Energy: 1.5994676437316657
Energy: 1.6643123634569132
Energy: 2.153722831895493
Energy: 2.1826463659552835
Energy: 1.5764735733088475
Energy: 2.182646367704351
Energy: 2.1032074628272395
Energy: 2.197277600373129
Energy: 1.6031670630613997
Energy: 2.197277600373129
Energy: 2.100392502653126
Energy: 1.5875263322613171
Energy: 1.7751150524448387
Energy: 1.5875263322605877
Energy: 1.7758896120014598
Energy: 1.5964000143667647
Energy: 1.673837883972707
Energy: 1.5964000143651602
Energy: 1.8198424747727775
Energy: 1.6436058073929904
Energy: 1.6521892022138525
Energy: 1.6436058073905837
Energy: 2.2235234474325485
Energy: 1.5830618942518313
Energy: 1.5845623201931989
Energy: 1.583061894255843
Energy: 2.466205923692798
Energy: 1.9907952779638514
Energy: 1.5990463676310978
Energy: 1.9907952779502125
Energy: 2.1115447400509444
Energy: 2.025411232431319
Energy: 1.711538643901351
Energy: 2.025411148329186
Energy: 1.5417357552108157
Energy: 1.5452342298598076
Energy: 2.1295130422492536
Energy: 1.5452342298638189
Energy: 1.5479766799230907
Energy: 1.5432215483431921
Energy: 1.6298699436905388
Energy: 1.5432215483415874
Energy: 1.5596388259855918
Energy: 1.5437299500117752
Energy: 1.6547573515918266
Energy: 1.543729950014182
Energy: 1.5796858477257114
Energy: 2.4385140258277933
Energy: 2.3996927939551114
Energy: 2.4385140258326072
Energy: 2.182548678622548
Energy: 1.8468298337617057
Energy: 1.7094253169388647
Energy: 1.8468298271922543
Energy: 2.1246289401549863
Energy: 1.5752340367801887
Energy: 1.5795837692197516
Energy: 1.575234036776177
Energy: 1.9516360407029143
Energy: 1.5746594999878907
Energy: 1.5785694826976189
Energy: 1.5746594999902976
Energy: 1.6030735772890667
Energy: 1.6176136999843187
Energy: 1.6226525045337317
Energy: 1.6176136999891326

minimum gb energy = 1.5301743211058685 eV
minimum distance =  2.25767948262833 Angstroms
sigma value = 1


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

Energy: 2.5143640767764426
Energy: 1.5474173370564757
Energy: 1.5525363713309357
Energy: 1.5474173370586946
Energy: 1.7548696495368612
Energy: 2.046412278933429
Energy: 2.017037001289677
Energy: 2.0464152651240273
Energy: 1.8628998127477683
Energy: 1.662199125096455
Energy: 1.9930627418613862
Energy: 1.662199125099783
Energy: 1.5276025247051603
Energy: 2.069507786738508
Energy: 2.0284766845366113
Energy: 2.069507848013442
Energy: 2.0328595089015233
Energy: 1.5119580899472977
Energy: 2.8217071914451446
Energy: 1.5119580899484073
Energy: 1.5406469610472404
Energy: 1.512548844031699
Energy: 2.754397627172826
Energy: 1.5125488440328083
Energy: 1.4909478452566303
Energy: 1.4930060004446857
Energy: 2.0591274086114657
Energy: 1.493006000448014
Energy: 1.5018391461491545
Energy: 1.5024819603572224
Energy: 2.4573020989877783
Energy: 1.5024819603561128
Energy: 2.010839958266536
Energy: 2.0690892079645393
Energy: 2.438761530210773
Energy: 2.0690892079478997
Energy: 2.2245603074844364
Energy: 1.5032409240660447
Energy: 1.501465440536113
Energy: 1.5032409240660447
Energy: 2.2220219844844067
Energy: 1.4936861539991093
Energy: 1.4917873830647994
Energy: 1.4936861540012774
Energy: 2.4373351652132382
Energy: 1.5122691782322213
Energy: 1.537534845285674
Energy: 1.512269178226675
Energy: 2.480646068421858
Energy: 1.494997454668005
Energy: 1.5138312279703903
Energy: 1.494997454668005
Energy: 2.022911554800945
Energy: 2.0803802122512693
Energy: 1.9943914073289177
Energy: 2.0803802122512693
Energy: 1.5352850261731208
Energy: 1.6605852058354311
Energy: 2.2747672060898942
Energy: 1.6605852058398685
Energy: 1.5286994476940128
Energy: 2.0920031617577934
Energy: 1.5410664404161147
Energy: 2.0920031617522468
Energy: 1.576435542591445
Energy: 1.5769198251103838
Energy: 2.0100454917594157
Energy: 1.5769198251170395
Energy: 1.502072202833584
Energy: 1.5040120870884852
Energy: 2.0340940510473025
Energy: 1.5040120870873759
Energy: 1.493634141173846
Energy: 1.496832055140255
Energy: 2.4417542845332
Energy: 1.496832055136927
Energy: 1.5424154322250812
Energy: 2.799068172498753
Energy: 2.4647298193327716
Energy: 2.7990681724965345
Energy: 2.01826198999045
Energy: 2.053439720862037
Energy: 2.0559655466288174
Energy: 2.05372677565792
Energy: 2.010561516559492
Energy: 1.4975979644110444
Energy: 1.5003640250809833
Energy: 1.4975979644099349
Energy: 2.0294214700667967
Energy: 1.4944579605337553
Energy: 1.4938300467409464
Energy: 1.494457960529318
Energy: 2.459719468372544
Energy: 1.543853971118581
Energy: 1.4936559933626004
Energy: 1.543853971118581

minimum gb energy = 1.4909478452566303 eV
minimum distance =  2.26998747696265 Angstroms
sigma value = 17


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

Energy: 2.7365648178074817
Energy: 1.5158947095734694
Energy: 1.7748931293728165
Energy: 1.5158947096337432
Energy: 1.520108662259538
Energy: 1.9234882851191792
Energy: 1.804827224903843
Energy: 1.923488285123293
Energy: 2.090738877638231
Energy: 1.9200328632189987
Energy: 1.7921423328549053
Energy: 1.9200328632217412
Energy: 2.091134658904807
Energy: 2.41848535648006
Energy: 1.8320511224716352
Energy: 2.418485356190847
Energy: 2.233377416471598
Energy: 1.4468144387877078
Energy: 2.2585589842381495
Energy: 1.4468144387883934
Energy: 1.4715908205389516
Energy: 1.4654111533231375
Energy: 2.3487624037267567
Energy: 1.465411153322452
Energy: 1.4474118610142328
Energy: 1.4454630283906005
Energy: 1.8320652585773154
Energy: 1.4454630283912862
Energy: 1.459336700764859
Energy: 1.4510395421076472
Energy: 2.6686180103488657
Energy: 1.4510395421069613
Energy: 2.3652396340081863
Energy: 1.4520418605623462
Energy: 2.0706513941420526
Energy: 1.4520418548596619
Energy: 1.9398069711186612
Energy: 2.3011562281910156
Energy: 1.8079864500886518
Energy: 2.301156228212956
Energy: 1.7081706776003158
Energy: 1.910729855403836
Energy: 1.487999397043381
Energy: 1.9107298526152294
Energy: 2.3644372846469452
Energy: 1.479392110641105
Energy: 1.86965220637922
Energy: 1.4793921106390482
Energy: 2.3557735810933913
Energy: 1.5109748869642459
Energy: 1.518787527851272
Energy: 1.5109748869628747
Energy: 2.2815954237041978
Energy: 1.4690775417322444
Energy: 1.471547412194174
Energy: 1.46907754173293
Energy: 1.9201763118374462
Energy: 1.4755366919548742
Energy: 1.485055588742128
Energy: 1.4755366919521316
Energy: 2.6325353791454886
Energy: 1.4720924199922072
Energy: 2.2478714102822055
Energy: 1.4720924199970071
Energy: 1.5231955574672624
Energy: 2.13400904150752
Energy: 2.385880998369787
Energy: 2.134114510318997
Energy: 1.474713720187677
Energy: 1.4731949038858694
Energy: 2.471064985619644
Energy: 1.4731949038838126
Energy: 1.4857459699677704
Energy: 1.4747553617947535
Energy: 2.0716020790403484
Energy: 1.4747553617968103
Energy: 1.5165462044514415
Energy: 1.527003525414964
Energy: 2.7542727021202706
Energy: 1.5270035254183922
Energy: 1.936104388867764
Energy: 1.9562199604335906
Energy: 1.5262752603214718
Energy: 1.9562199604342763
Energy: 1.8073635058147122
Energy: 1.7944102077018507
Energy: 2.071791888029932
Energy: 1.7944102077032225
Energy: 1.8525210539124795
Energy: 1.5511861854187627
Energy: 2.0727998463508666
Energy: 1.5516035039520033
Energy: 2.2679324080732326
Energy: 3.034920999906213
Energy: 1.7180918989828253
Energy: 3.0349209999048417
Energy: 2.3474419270223574
Energy: 1.4638571465692003
Energy: 1.4659576441239734
Energy: 1.4638571465712573
Energy: 1.8273737985244685
Energy: 1.4477545067380868
Energy: 1.451782767826561
Energy: 1.4477545067367157
Energy: 2.751250969558653
Energy: 1.4546576027243006
Energy: 1.4606814741237923
Energy: 1.4546576027256717
Energy: 2.075390375308111
Energy: 2.3162650821540622
Energy: 2.351729079376513
Energy: 2.31626508214864
Energy: 1.8270424993961263
Energy: 1.8967347540940027
Energy: 1.8104352600838325
Energy: 1.896734754976728
Energy: 1.4900528358816385
Energy: 1.8970303213206168
Energy: 2.2624337140303123
Energy: 1.8970302849905072
Energy: 1.8670067640098145
Energy: 1.4838932748951021
Energy: 2.8020098331769097
Energy: 1.483893274896474
Energy: 1.5142716886640557
Energy: 1.5091852351724355
Energy: 2.3551505639995423
Energy: 1.5091852351724355
Energy: 1.4691909351987416
Energy: 1.4700889375958806
Energy: 1.7909429692420973
Energy: 1.470088937598623
Energy: 1.4821033359671396
Energy: 1.476104356029785
Energy: 2.083648448384592
Energy: 1.4761043560270424
Energy: 2.3432490520534537
Energy: 1.4719517206271187
Energy: 2.6653663253854645
Energy: 1.4719517206271187
Energy: 2.4289973027729155
Energy: 1.4777617018790903
Energy: 1.4958668595494888
Energy: 1.4777617020511227
Energy: 2.35734735188338
Energy: 1.4698246252207592
Energy: 1.4709164509867043
Energy: 1.4698246252152742
Energy: 2.0691509800809844
Energy: 1.4775204354899603
Energy: 1.5293971735819423
Energy: 1.4775204354872178

minimum gb energy = 1.4454630283906005 eV
minimum distance =  2.24377059890333 Angstroms
sigma value = 89


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

Energy: 2.98870850905172
Energy: 1.3499861218269358
Energy: 1.3572036091204258
Energy: 1.3499861218359053
Energy: 2.108557843685967
Energy: 1.4808166283658994
Energy: 2.1328259402597
Energy: 1.4808166283658994
Energy: 1.3303869140596225
Energy: 1.4823498321181015
Energy: 2.1387361205691025
Energy: 1.4823498321163076
Energy: 1.331688075604572
Energy: 1.4851531273221819
Energy: 2.134096873902315
Energy: 1.4851531273185938
Energy: 1.4286239555374332
Energy: 1.34290111445873
Energy: 1.4223419440891987
Energy: 1.3429011144569767
Energy: 1.3506956080556733
Energy: 1.3470128892097093
Energy: 1.4223494758257826
Energy: 1.3470128892097093
Energy: 1.3389647197407133
Energy: 1.3387813950446947
Energy: 2.8473150559424756
Energy: 1.338781395033931
Energy: 1.3486478124262709
Energy: 1.3473519211620852
Energy: 2.86571957902531
Energy: 1.3473519211620852
Energy: 2.0932289994031623
Energy: 1.3475061388014737
Energy: 2.819196641488922
Energy: 1.3475061387996798
Energy: 2.1150151508653514
Energy: 1.4860908301446836
Energy: 2.112981631547455
Energy: 1.4860908301446836
Energy: 2.0954279318131492
Energy: 1.4890187736189717
Energy: 1.3260901860259693
Energy: 1.4890187483387314
Energy: 1.4227379323334493
Energy: 1.4838307743162498
Energy: 2.108955667066179
Energy: 1.4838307743180437
Energy: 1.422289069105886
Energy: 1.3451082174600715
Energy: 1.3460417111955625
Energy: 1.3451082174618656
Energy: 2.1118328612996433
Energy: 1.3377913751835162
Energy: 1.337103962877785
Energy: 1.337791375181722
Energy: 2.836564182062195
Energy: 1.343141019095641
Energy: 1.3440874714092568
Energy: 1.343141019095641

minimum gb energy = 1.3260901860259693 eV
minimum distance =  2.27253466589261 Angstroms
sigma value = 13


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

Energy: 2.4060010530722074
Energy: 1.2949688130979526
Energy: 1.6512354613969498
Energy: 1.2949688133113617
Energy: 2.229167269906308
Energy: 1.2667556468060914
Energy: 1.644678811289258
Energy: 1.2667557343210627
Energy: 2.545757697426111
Energy: 1.2632799283573761
Energy: 1.813123691928041
Energy: 1.2632799116721585
Energy: 1.9218942109694377
Energy: 1.9847393751205284
Energy: 1.5452812729255354
Energy: 1.9955505766940949
Energy: 2.0562010666888715
Energy: 1.9988246140686268
Energy: 2.1215047688678563
Energy: 1.9988246140543404
Energy: 1.6085053745664097
Energy: 1.7851870092952098
Energy: 2.119512305555173
Energy: 1.7851870092906983
Energy: 1.6026830903949851
Energy: 1.2639175662128153
Energy: 1.5611827983507933
Energy: 1.263917492519606
Energy: 1.2885054111457253
Energy: 1.2664109887733688
Energy: 2.83492985242674
Energy: 1.2664109887763764
Energy: 1.280177865033973
Energy: 1.2678631354843175
Energy: 2.5041765123406416
Energy: 1.2678631354850696
Energy: 1.2674876052836848
Energy: 1.2635390816409233
Energy: 2.0858371005923377
Energy: 1.2635390816341563
Energy: 1.26341063061254
Energy: 1.2742180684753333
Energy: 2.6469367705856217
Energy: 1.274218068467814
Energy: 2.2599828324015725
Energy: 2.044901769522123
Energy: 2.482479136051972
Energy: 2.0449017695161076
Energy: 2.1984448838298
Energy: 1.340176553170418
Energy: 2.288466975833393
Energy: 1.340176553224488
Energy: 2.162480260085423
Energy: 2.2923100922604576
Energy: 1.9231297304130333
Energy: 2.292310092240156
Energy: 2.5709203170877446
Energy: 1.2658567423605909
Energy: 2.1137726840966238
Energy: 1.265856742358335
Energy: 2.720883965641204
Energy: 1.2657985328433103
Energy: 1.2708743713310373
Energy: 1.2657985328440622
Energy: 1.8013256754011517
Energy: 1.2636637920540899
Energy: 1.2676784711816451
Energy: 1.2636637920683766
Energy: 2.3325454054784993
Energy: 1.2668350353293065
Energy: 1.2742526634772817
Energy: 1.2668350353187798
Energy: 2.893488025916315
Energy: 1.2676189999868257
Energy: 1.6371390964059258
Energy: 1.2676189999853218
Energy: 2.609125983502406
Energy: 1.7091620559716625
Energy: 1.6133285443627958
Energy: 1.709162055966399
Energy: 1.9247379757714114
Energy: 1.2717003720620144
Energy: 1.6561960408918617
Energy: 1.2717003720597586
Energy: 2.6014966084418045
Energy: 1.9930196893763723
Energy: 2.1202876723145874
Energy: 1.9930193292950082
Energy: 1.6298926253706207
Energy: 1.2667303381682509
Energy: 2.241374864129107
Energy: 1.2667303381682509
Energy: 1.2702424807814197
Energy: 1.8547019791967656
Energy: 1.8094444685313829
Energy: 1.8547019791922539
Energy: 1.6483421978086006
Energy: 1.2924133380063187
Energy: 2.51106161269094
Energy: 1.2924133380115823
Energy: 1.293975527546171
Energy: 1.2921687785596867
Energy: 2.057585094977327
Energy: 1.2921687785649505
Energy: 1.262296265364145
Energy: 1.2613874571458457
Energy: 2.6130861649623007
Energy: 1.2613874571511092
Energy: 1.2852852752257509
Energy: 1.2704389314740772
Energy: 2.6169928137189356
Energy: 1.2704389314800928
Energy: 2.2410464502430902
Energy: 2.1017013329959933
Energy: 2.773598526185185
Energy: 2.1017013329937377
Energy: 1.6015027593375375
Energy: 2.3142053841602164
Energy: 2.2550602345942083
Energy: 2.3142053841459305
Energy: 2.1892027952466773
Energy: 2.299852919046468
Energy: 1.927487721981004
Energy: 2.2998529189975927
Energy: 2.7213832842269206
Energy: 1.2644878446625547
Energy: 2.269706547378129
Energy: 1.2644878446445087
Energy: 2.7332763051663793
Energy: 1.268726519401162
Energy: 1.2764063113536503
Energy: 1.268726519392891
Energy: 1.8097545667966068
Energy: 1.2619099025684002
Energy: 1.2626354943020437
Energy: 1.2619099025744156
Energy: 2.8618087182188097
Energy: 1.2655806830302163
Energy: 1.270074337564478
Energy: 1.2655806830482625

minimum gb energy = 1.2613874571458457 eV
minimum distance =  2.25750130922751 Angstroms
sigma value = 37


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

Energy: 2.1765527152527424
Energy: 1.197882395484759
Energy: 1.1821118623444908
Energy: 1.197882395492521
Energy: 2.410161870513584
Energy: 1.8756921355244844
Energy: 1.752411740922464
Energy: 1.8756921355231908
Energy: 2.4145896143256382
Energy: 1.864306429714172
Energy: 1.7414059344999464
Energy: 1.8643064297128784
Energy: 2.4314951678744734
Energy: 1.8694275155989308
Energy: 1.5719871467442057
Energy: 1.8859638979747744
Energy: 2.023848592258273
Energy: 1.1664442784513722
Energy: 2.0119358104008302
Energy: 1.1664442784604279
Energy: 1.354727337924491
Energy: 1.1659731675668072
Energy: 2.4938557056347976
Energy: 1.1659731675681009
Energy: 1.44788479297226
Energy: 1.1649700270768464
Energy: 1.9019621815523695
Energy: 1.1649700270729655
Energy: 1.5100211895292188
Energy: 1.1485296737372448
Energy: 2.7412255221775554
Energy: 1.1485296737346575
Energy: 1.532609276793322
Energy: 1.5547530815736197
Energy: 2.716123005384432
Energy: 1.5547530812490593
Energy: 1.3513589338264977
Energy: 1.1438313931735307
Energy: 2.395017653443177
Energy: 1.1438313931761181
Energy: 1.435429933242547
Energy: 1.4361052618435308
Energy: 1.9617933729925399
Energy: 1.4361052618435308
Energy: 1.7304305930439747
Energy: 1.1428408460528316
Energy: 2.85684093424321
Energy: 1.142840869466644
Energy: 2.0311648784335024
Energy: 1.164899897003087
Energy: 2.4148777225205684
Energy: 1.1648998270551625
Energy: 1.9476774324921267
Energy: 2.056758469187113
Energy: 2.431791442990368
Energy: 2.056758469197462
Energy: 2.0119358103995366
Energy: 1.645703626569246
Energy: 1.9007259284760978
Energy: 1.6457036265705396
Energy: 2.241444677772136
Energy: 1.3175274383313116
Energy: 1.355985163277429
Energy: 1.317527438330018
Energy: 2.0321248744386953
Energy: 1.574532767705732
Energy: 1.4481836326792867
Energy: 1.5745327677096128
Energy: 2.7370235538642635
Energy: 1.1801941576692796
Energy: 1.1659576513116987
Energy: 1.1801941576718669
Energy: 2.7161230053857257
Energy: 1.1800258683373612
Energy: 1.1812698113143538
Energy: 1.1800258683373612
Energy: 2.634583906254024
Energy: 1.1823268982792683
Energy: 1.1807888701680973
Energy: 1.1823268982805621

minimum gb energy = 1.1428408460528316 eV
minimum distance =  2.25442343057939 Angstroms
sigma value = 25


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

Energy: 2.5454013612304807
Energy: 1.0290672785434771
Energy: 1.0328584599606525
Energy: 1.0290672786050976
Energy: 2.669411324233483
Energy: 1.0241494574711754
Energy: 1.476298433047155
Energy: 1.0241494574711754
Energy: 2.4314905534526097
Energy: 1.022793740862649
Energy: 1.4715048103044766
Energy: 1.022793740861639
Energy: 1.9047635624928352
Energy: 1.1428463928510546
Energy: 1.3363468695171714
Energy: 1.142846392854085
Energy: 2.418630277483778
Energy: 1.0211502556658527
Energy: 2.1841569359004045
Energy: 1.0211654202350249
Energy: 1.8997039368161264
Energy: 1.1387416405244208
Energy: 2.152349206009388
Energy: 1.1387416405264412
Energy: 1.8968715241561902
Energy: 2.1249084251438055
Energy: 2.2645186026779616
Energy: 2.1249084251609784
Energy: 1.3363642864858485
Energy: 1.0296563274623973
Energy: 2.1608870546638013
Energy: 1.0296563274613872
Energy: 1.5035218467221827
Energy: 1.022043812823992
Energy: 2.632273035800602
Energy: 1.0220438117739148
Energy: 1.5097140113558307
Energy: 1.6583982904133239
Energy: 2.262330734573535
Energy: 1.658398290414334
Energy: 1.0230896648069132
Energy: 1.0265654278973215
Energy: 2.2244110374895905
Energy: 1.0265654277882683
Energy: 1.0289675880199816
Energy: 1.0240400465979784
Energy: 2.107478784885533
Energy: 1.0240400465999986
Energy: 1.0237649663835902
Energy: 1.0275306441112118
Energy: 2.4914602699876656
Energy: 1.0275306441102017
Energy: 1.0718875039064708
Energy: 1.0345562989738546
Energy: 2.4872832829302842
Energy: 1.034556298972844
Energy: 1.3392498069432097
Energy: 1.6292727087312373
Energy: 2.2608681726429345
Energy: 1.629272708734268
Energy: 1.473334949457441
Energy: 1.0248189059132524
Energy: 2.404875870269209
Energy: 1.0248189059152726
Energy: 2.2130721226349506
Energy: 1.139861910803014
Energy: 2.4075283907646203
Energy: 1.139861910816146
Energy: 1.4607327002950143
Energy: 1.0218176286065488
Energy: 1.8736423275949468
Energy: 1.0217017093133591
Energy: 2.1547698073412858
Energy: 1.1412210532892029
Energy: 1.8972270276981014
Energy: 1.1412210532892029
Energy: 2.259818135427463
Energy: 1.1399331265342199
Energy: 1.8972647979147412
Energy: 1.1399331265332098
Energy: 2.220270422603315
Energy: 1.657408126638123
Energy: 1.5179191525607425
Energy: 1.6574082196571718
Energy: 2.2613442298259594
Energy: 1.0213333872185775
Energy: 1.0237149869011888
Energy: 1.021333387352885
Energy: 2.6337713127476325
Energy: 1.0261134931460514
Energy: 1.4880701899185362
Energy: 1.0261134895140578
Energy: 1.8890609283338136
Energy: 1.0226551885664457
Energy: 1.023572532119294
Energy: 1.0226551885664457
Energy: 2.2634373976007085
Energy: 1.0219111435109554
Energy: 1.022912672817965
Energy: 1.0219111435109554
Energy: 2.3952757817264256
Energy: 1.0316662387980668
Energy: 1.0300446175237052
Energy: 1.0316662387980668

minimum gb energy = 1.0211502556658527 eV
minimum distance =  2.26937409464922 Angstroms
sigma value = 41


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

Energy: 2.6978289531869333
Energy: 0.9381188766151736
Energy: 0.9373664981916608
Energy: 0.938118876668177
Energy: 2.44192197538378
Energy: 0.9304370969587107
Energy: 1.3216241854394295
Energy: 0.9304370969570542
Energy: 2.4723130419595716
Energy: 0.9292956894668803
Energy: 1.3170876902639397
Energy: 0.9292956894643958
Energy: 2.0751538999902217
Energy: 0.9370465673286474
Energy: 1.6552046929037614
Energy: 0.9370465672930357
Energy: 2.3546579115654636
Energy: 0.9279136766414892
Energy: 1.8768354005366483
Energy: 0.9279136766853826
Energy: 2.073054285494239
Energy: 1.3397865730744944
Energy: 1.8637175993784805
Energy: 1.3397865730744944
Energy: 2.0775216526310407
Energy: 1.0271682680565102
Energy: 2.163583610871506
Energy: 1.0271682680581666
Energy: 1.800091508519601
Energy: 1.4724513026507486
Energy: 1.8636212373509797
Energy: 1.4724513019611771
Energy: 1.65766358778132
Energy: 0.9266278619964702
Energy: 2.275249572938407
Energy: 0.9266278619898447
Energy: 1.6509782301882268
Energy: 0.9269987592083919
Energy: 2.3501839188892486
Energy: 0.9269987592133611
Energy: 1.1871677675015742
Energy: 0.9397372825486608
Energy: 2.4556717512892625
Energy: 0.9397372825470045
Energy: 1.3076823713036072
Energy: 0.9284683643013515
Energy: 2.662025738726974
Energy: 0.9284683643013515
Energy: 1.3219083066577857
Energy: 0.932580472035545
Energy: 2.348287017082005
Energy: 0.932580472035545
Energy: 0.9291907478289849
Energy: 0.9386162401428622
Energy: 2.3081356921527147
Energy: 0.9386162401445185
Energy: 0.9313004583091062
Energy: 0.9287356668752598
Energy: 2.35200767956422
Energy: 0.9287356668752598
Energy: 0.9371320287957207
Energy: 0.9322961224756919
Energy: 2.476765101976988
Energy: 0.9322961224765202
Energy: 1.1930931423668643
Energy: 0.9346602420897372
Energy: 2.486320428481201
Energy: 0.9346602420897372
Energy: 1.2894496608701849
Energy: 0.9277918404530857
Energy: 2.3477276579352644
Energy: 0.927791839044129
Energy: 1.3253123414213828
Energy: 0.9335884168918224
Energy: 1.9636691913103403
Energy: 0.933588416890166
Energy: 1.8788798709741603
Energy: 0.9316274358733665
Energy: 1.9543848041903795
Energy: 0.9316274358725383
Energy: 1.9032887180965852
Energy: 1.8893323548470289
Energy: 2.144688562895673
Energy: 1.889332357222846
Energy: 1.8867365946025378
Energy: 1.029727099137934
Energy: 2.110881500035209
Energy: 1.0297270991429028
Energy: 2.2932038757074715
Energy: 1.0213337375633214
Energy: 2.077777483277685
Energy: 1.0213337375616653
Energy: 1.7575273832615423
Energy: 1.0325611559719423
Energy: 1.7646055804654082
Energy: 1.0325611559768362
Energy: 2.2984950553147443
Energy: 1.8908799543537136
Energy: 1.6852900176111127
Energy: 1.8908799543537136
Energy: 2.273167359957479
Energy: 0.9304757006572083
Energy: 1.7610437880787129
Energy: 0.9304757006580363
Energy: 2.164584930629186
Energy: 0.934377713503236
Energy: 1.1968133572913278
Energy: 0.9343777135007515
Energy: 2.349299867913847
Energy: 1.4002981066774
Energy: 1.3170957229386762
Energy: 1.4002982265874226
Energy: 2.2813478501179465
Energy: 0.9353444727220284
Energy: 1.3873762024608225
Energy: 0.9353444727236847
Energy: 2.2739284841179623
Energy: 0.9365559955580478
Energy: 0.928216896395967
Energy: 0.936555995558876
Energy: 2.2087425324622516
Energy: 0.9283182025066682
Energy: 0.9305765204574469
Energy: 0.9283182025050118
Energy: 2.5138423342918355
Energy: 0.9381378619366408
Energy: 0.9295509468879558
Energy: 0.9381378619366408

minimum gb energy = 0.9266278619898447 eV
minimum distance =  2.26886099802491 Angstroms
sigma value = 15


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

Energy: 2.329703115010827
Energy: 0.8632444270473616
Energy: 1.3558937345742559
Energy: 0.8632444231503857
Energy: 2.402769537100185
Energy: 0.858139925473078
Energy: 1.0775130171400575
Energy: 0.8581399254779891
Energy: 2.4002963537954596
Energy: 0.8561824472650453
Energy: 1.179838269123201
Energy: 0.8561824472643438
Energy: 2.2027657298889842
Energy: 0.8630516755945656
Energy: 1.482827431702061
Energy: 0.8630516755938642
Energy: 2.402989126503238
Energy: 1.5410499971703981
Energy: 1.6455385093274026
Energy: 1.5410499971087228
Energy: 2.179308590137635
Energy: 0.8531879240726743
Energy: 1.4700512966498744
Energy: 0.8531879240705694
Energy: 1.8258129458384706
Energy: 0.8549172401351218
Energy: 1.946811285124768
Energy: 0.8549172401351218
Energy: 2.159145098696966
Energy: 1.642288172925932
Energy: 1.6570661675535387
Energy: 1.6422881729252305
Energy: 1.8317360718306503
Energy: 0.9325655143995475
Energy: 2.0148071683396327
Energy: 0.9325655143974428
Energy: 1.8312741316889791
Energy: 0.9341099396922876
Energy: 2.2434084733183637
Energy: 0.9341099396908845
Energy: 1.6474890604252097
Energy: 2.1329578754654124
Energy: 2.1156822092628755
Energy: 2.132957875466816
Energy: 1.478838459850491
Energy: 0.8521332014354397
Energy: 2.3591331784383436
Energy: 0.8521332014340365
Energy: 1.657294676645097
Energy: 0.8565715922801763
Energy: 2.355462606306406
Energy: 0.8565715922780716
Energy: 1.2192674290811067
Energy: 0.8633711955664263
Energy: 2.0171290337360945
Energy: 0.863371195568531
Energy: 1.1762065924675102
Energy: 1.2796722017557451
Energy: 2.399884306010945
Energy: 1.2796722018209288
Energy: 1.2428859282550417
Energy: 0.8607256877394142
Energy: 2.3498302997630875
Energy: 0.8607256877373094
Energy: 0.854594777233629
Energy: 0.866170765099633
Energy: 2.279096640712156
Energy: 0.8661707650954236
Energy: 0.8538731167459878
Energy: 0.8541724822477528
Energy: 2.5286458777944403
Energy: 0.8541724822484544
Energy: 0.8706279141144998
Energy: 0.8614512147041175
Energy: 2.184483641183552
Energy: 0.8614512147020128
Energy: 1.185308971957251
Energy: 0.8588179932754846
Energy: 2.5393147887350493
Energy: 0.8588179932740814
Energy: 1.1572279331431885
Energy: 1.3192475482013564
Energy: 2.53319073615452
Energy: 1.3192475482076704
Energy: 1.070082280250743
Energy: 0.8618896458872075
Energy: 2.1942449039698424
Energy: 0.8618896458935218
Energy: 1.667953549429035
Energy: 0.857387095782647
Energy: 2.073180781665886
Energy: 0.857387095782647
Energy: 1.6549881500726753
Energy: 1.5917727854196315
Energy: 2.2299726056899467
Energy: 1.5917727854217363
Energy: 1.6830151198681664
Energy: 0.8558569798188413
Energy: 1.8394095315797214
Energy: 0.8558569797761088
Energy: 2.0144758632929483
Energy: 0.9340765725481811
Energy: 2.373313729474949
Energy: 0.9340765725488828
Energy: 1.6450123491674622
Energy: 0.934634331005582
Energy: 2.011023051989852
Energy: 0.9346343310041787
Energy: 2.066795072629881
Energy: 0.9337543056542407
Energy: 1.882180715189625
Energy: 0.9337543057405354
Energy: 2.003465812296611
Energy: 0.8590864652141306
Energy: 2.0417948876567342
Energy: 0.8590864656776857
Energy: 1.8989573720174764
Energy: 0.854557561197516
Energy: 1.6722080796230678
Energy: 0.854557561121745
Energy: 2.3684034858773155
Energy: 1.3004687896822285
Energy: 1.4576896517250695
Energy: 1.3004687905840817
Energy: 2.013430265640095
Energy: 0.8622451494263125
Energy: 1.5799056586620663
Energy: 0.8622451494263125
Energy: 2.35789396276728
Energy: 0.8572423631595545
Energy: 1.1976541142520765
Energy: 0.8572423631595545
Energy: 2.5336265249646948
Energy: 1.2953304303443385
Energy: 1.1753459402792183
Energy: 1.2953304303197832
Energy: 2.4769446209776405
Energy: 0.8667563899937105
Energy: 0.8919367152924642
Energy: 0.8667563899909042
Energy: 2.3992917753643654
Energy: 0.8569646524693876
Energy: 0.8647621323375267
Energy: 0.8569646524693876
Energy: 2.5183920938285125
Energy: 0.858007823207507
Energy: 0.8630393436716
Energy: 0.8580078232054023

minimum gb energy = 0.8521332014340365 eV
minimum distance =  2.26588348214771 Angstroms
sigma value = 85


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

Energy: 2.4389720582812435
Energy: 0.7708668372571312
Energy: 0.7700753780159547
Energy: 0.7708668371142204
Energy: 2.315836782677192
Energy: 0.7733176437830935
Energy: 1.068603354033585
Energy: 0.7733176437824851
Energy: 2.232458666647278
Energy: 0.77255365565576
Energy: 1.0503670260303632
Energy: 0.77255365565576
Energy: 1.956466669123556
Energy: 0.7707189511581972
Energy: 1.3125579272776602
Energy: 0.7707189511588057
Energy: 2.284334495292077
Energy: 1.4524776788353522
Energy: 1.4909431881628388
Energy: 1.4524776788353522
Energy: 1.929326325836707
Energy: 0.7711985101740563
Energy: 1.4771138969942659
Energy: 0.7711985101704053
Energy: 1.9379298235934108
Energy: 0.7722682929494219
Energy: 1.6152393436647319
Energy: 0.7722682929633894
Energy: 2.008537198932382
Energy: 1.459633955626016
Energy: 1.4606650168459339
Energy: 1.4596339556242184
Energy: 1.9385918596393399
Energy: 0.7712305345656503
Energy: 1.785430698171537
Energy: 0.7712305345808623
Energy: 1.9322120501402607
Energy: 0.9104116472517405
Energy: 2.090545333554027
Energy: 0.910411647252349
Energy: 1.6148131574800797
Energy: 0.9110828165201658
Energy: 2.1051574962833937
Energy: 0.9110828165207743
Energy: 1.6239706426048925
Energy: 0.7698889107638658
Energy: 2.09264994584903
Energy: 0.7698889107644741
Energy: 1.7856915257363428
Energy: 0.7702540755387974
Energy: 2.0842488817375053
Energy: 0.7702540755345382
Energy: 1.4404157249290361
Energy: 0.7728579722732608
Energy: 1.619227243143607
Energy: 0.7728579722537893
Energy: 1.2901851363740038
Energy: 0.7706607573717085
Energy: 2.1737759081097567
Energy: 0.7706600505191429
Energy: 1.4050517598307568
Energy: 0.7750561010014853
Energy: 2.0813087716517837
Energy: 0.7750561010020938
Energy: 1.1043835008439686
Energy: 0.7709283521207672
Energy: 2.0870095982851193
Energy: 0.7709283521195501
Energy: 1.0323011737733818
Energy: 1.0759124154336983
Energy: 2.5309356588916003
Energy: 1.075912416826519
Energy: 1.0982755071517052
Energy: 0.770570122622209
Energy: 2.17018994366522
Energy: 0.770570122622209
Energy: 0.7711771205407154
Energy: 0.7702924259683415
Energy: 2.386612942064189
Energy: 0.7702924259677331
Energy: 0.7713680854488056
Energy: 0.7706894736052743
Energy: 2.5300906592555927
Energy: 0.7706894736046658
Energy: 0.7712409130528546
Energy: 0.7704158642160627
Energy: 2.234413589383922
Energy: 0.7704158642160627
Energy: 1.0884590286097977
Energy: 0.7710943714899227
Energy: 2.525367755327818
Energy: 0.7710943714893141
Energy: 1.0320363524088072
Energy: 0.7703883159222832
Energy: 2.532709361413133
Energy: 0.7703883159222832
Energy: 0.9580570542212412
Energy: 0.7708500702781365
Energy: 1.9606490992885528
Energy: 0.770850070278745
Energy: 1.4652830855199799
Energy: 0.7710522351634292
Energy: 2.521779421153087
Energy: 0.7710522351628207
Energy: 1.4619896206567449
Energy: 0.770194846488972
Energy: 2.0392839925713044
Energy: 0.7701948463630711
Energy: 1.4945265678004411
Energy: 0.7732472895366101
Energy: 1.960335327529926
Energy: 0.7732472895001287
Energy: 1.7916544540563146
Energy: 0.7699836118402121
Energy: 2.1495784279807153
Energy: 0.769983611841429
Energy: 1.7781928460837693
Energy: 0.7714355845138829
Energy: 1.9351653462547194
Energy: 0.7714355845138829
Energy: 2.1018011706322914
Energy: 0.9110705079934641
Energy: 1.618481446290185
Energy: 0.9110705080050254
Energy: 1.7836179907038567
Energy: 0.9109582221076883
Energy: 1.7753956542855447
Energy: 0.9109582221058627
Energy: 2.085851185972519
Energy: 0.7713279100949698
Energy: 1.6232150556511746
Energy: 0.7713279100858702
Energy: 2.3810961642339485
Energy: 0.7697791249177021
Energy: 1.6171932313431543
Energy: 0.7697791249189191
Energy: 1.8509242722330799
Energy: 0.7731447194521728
Energy: 1.4058476940451579
Energy: 0.7731447194375691
Energy: 2.274393309301099
Energy: 0.7702308496605067
Energy: 1.4616458216877632
Energy: 0.770230849662913
Energy: 2.37845505344922
Energy: 0.7716717321803835
Energy: 1.4697234079070047
Energy: 0.7716717321791666
Energy: 2.0032794404365912
Energy: 0.7719049035657752
Energy: 1.139550278196181
Energy: 0.7719049035651668
Energy: 2.4191664944109093
Energy: 0.7702692884003006
Energy: 1.0407661757861169
Energy: 0.7702692884003006
Energy: 2.2776901572538386
Energy: 0.7709976986067715
Energy: 1.1213744214394317
Energy: 0.7709976986067715
Energy: 1.9025806981121816
Energy: 0.7702824526187176
Energy: 0.7717967821732706
Energy: 0.770282452619326
Energy: 2.530492863212891
Energy: 0.7706298288373762
Energy: 0.7708484469695824
Energy: 0.7706298288373762
Energy: 2.2379017379807347
Energy: 0.7703820291743628
Energy: 0.7710037593240164
Energy: 0.7703820291743628

minimum gb energy = 0.7697791249177021 eV
minimum distance =  2.26501838435857 Angstroms
sigma value = 113


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

Energy: 0.020482209160868958
Energy: 0.7330795344611265
Energy: 1.7654722864130705
Energy: 0.73307953446201
Energy: 1.2043473320620062
Energy: 0.17526996945304157
Energy: 1.204333753573949
Energy: 0.17526996945397716
Energy: 0.02123671289868561
Energy: 0.17534958540532936
Energy: 1.2163783426301842
Energy: 0.17534958540626489
Energy: 0.022896106246015513
Energy: 0.17313144692404944
Energy: 1.2144302983862574
Energy: 0.17313144692451723
Energy: 1.2067804329890217
Energy: 0.17749743067486962
Energy: 1.2091207656088216
Energy: 0.17749743067674073
Energy: 0.021054600374932692
Energy: 0.17513059701799819
Energy: 1.2014023528607818
Energy: 0.17513059701888173

minimum gb energy = 0.020482209160868958 eV
minimum distance =  2.45589635483089 Angstroms
sigma value = 1