Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014972491
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22699202383842e-19, 3.8083257937189797e-19, 4.2788690493584396e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.018089586651543765
Energy: 0.018603408267329587
Energy: 0.018618509936145264
Energy: 0.018403193637912395
Energy: 0.6714077112245831
Energy: 0.01862464302626993
Energy: 0.01860340826666858
Energy: 0.16004755492985884
Energy: 0.15998085330223605
Energy: 0.1597244159355804
Energy: 0.1597515040443504
Energy: 0.16135354177594388
Energy: 0.018618509936145264
Energy: 0.15998085330190556
Energy: 0.16140213783000248
Energy: 0.018578626050244476
Energy: 0.15968727011372796
Energy: 0.160780647498499
Energy: 0.018403193638573397
Energy: 0.1597244159355804
Energy: 0.018578626050244476
Energy: 0.018557245948780776
Energy: 0.1598976193169996
Energy: 0.01851475780324033
Energy: 0.6714077112248769
Energy: 0.15975150404372612
Energy: 0.15968727011372796
Energy: 0.1598976193176606
Energy: 0.15972734997281543
Energy: 0.15965525933263974
Energy: 0.01862464302626993
Energy: 0.16135354177594388
Energy: 0.16078064749916
Energy: 0.01851475780324033
Energy: 0.15965525933230923
Energy: 0.018505244395521828

minimum gb energy = 0.018089586651543765 eV
minimum distance =  2.48701823378732 Angstroms
sigma value = 1


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

Energy: 2.059800162067831
Energy: 1.5507500231644138
Energy: 1.4122672339645908
Energy: 1.4438061858526294
Energy: 1.7366660839261945
Energy: 1.9082601588332897
Energy: 1.9230102017704298
Energy: 1.3450679617493602
Energy: 1.3449037667571908
Energy: 1.395976891557552
Energy: 1.3450074090143436
Energy: 1.3439224841331259
Energy: 1.8705408179868765
Energy: 1.3441514494169668
Energy: 1.344208388198641
Energy: 1.3549124721517372
Energy: 1.3442559169654391
Energy: 1.305035072299474
Energy: 1.964205606520528
Energy: 1.2961566333154078
Energy: 1.3421121571153403
Energy: 1.326593515291173
Energy: 1.3492460824433758
Energy: 1.3263249898474712
Energy: 1.8651963650891497
Energy: 1.4008896994251434
Energy: 1.4007856732471478
Energy: 1.4031097541213176
Energy: 1.401262229540366
Energy: 1.4005544000952823
Energy: 1.8185315491483545
Energy: 1.400744784492148
Energy: 1.3997561637155842
Energy: 1.3827590311520266
Energy: 1.4010728453869412
Energy: 1.3815078716007567
Energy: 1.820568868130497
Energy: 1.3806346224049937
Energy: 1.3804977289856983
Energy: 1.3799596002593
Energy: 1.3962392413185227
Energy: 1.3806486098931934
Energy: 1.735689865646959
Energy: 1.4015403238635915
Energy: 1.4020520039753726
Energy: 1.3928392141301342
Energy: 1.399438974751001
Energy: 1.381393199184906
Energy: 1.4868533250594091
Energy: 1.3969754772801684
Energy: 1.3816689534233555
Energy: 1.4067357817254533
Energy: 1.3967967387602618
Energy: 1.3793118598245755
Energy: 1.4834994835158792
Energy: 1.4009556084447985
Energy: 1.363638239313689
Energy: 1.3766581186588658
Energy: 1.400945735322331
Energy: 1.363563811477286
Energy: 1.5200782401271302
Energy: 1.3531009041854845
Energy: 1.354093287486418
Energy: 1.5198616282445918
Energy: 1.3535761555529513
Energy: 1.3520536376037458
Energy: 1.3442974241917751
Energy: 1.3587454041481393
Energy: 1.3592948473271964
Energy: 1.3443288474979271
Energy: 1.3713852067573538
Energy: 1.3441183423106813
Energy: 1.3447380704420049
Energy: 1.3875598857382379
Energy: 1.3874481871436524
Energy: 1.3446652757803519
Energy: 1.3706303243250495
Energy: 1.3442375007365872
Energy: 1.3943227074250797
Energy: 1.3758703790307387
Energy: 1.3562929584763506
Energy: 1.3939006784020584
Energy: 1.355167410912708
Energy: 1.3279502105610945
Energy: 1.3945430678744477
Energy: 1.4015470398110415
Energy: 1.3270266079877098
Energy: 1.3441031635312002
Energy: 1.403216073746347
Energy: 1.3442450164502862
Energy: 1.3978374899464532
Energy: 1.32547892572913
Energy: 1.3254705782669043
Energy: 1.3785614862728985
Energy: 1.3714990677196572
Energy: 1.3454017255503337
Energy: 1.700230380996248
Energy: 1.3915503973831183
Energy: 1.3914592150230238
Energy: 1.3579697516609872
Energy: 1.379146997975842
Energy: 1.3281058448688137
Energy: 1.647192174392495
Energy: 1.3999187133336533
Energy: 1.3992179249912258
Energy: 1.4002248064175162
Energy: 1.4469229205133056
Energy: 1.3993198483159792
Energy: 1.650961643964528
Energy: 1.3995812570899344
Energy: 1.3989700976730928
Energy: 1.3996047952653463
Energy: 1.3994795118711232
Energy: 1.4121899683768653
Energy: 1.871061422835609
Energy: 1.400287161287528
Energy: 1.4132173608615821
Energy: 1.3996709102685607
Energy: 1.3995957948937543
Energy: 1.3984258733867259
Energy: 1.8852791294608162
Energy: 1.3958213173914282
Energy: 1.3755859520983387
Energy: 1.354942503512946
Energy: 1.432360909637627
Energy: 1.395835398467189
Energy: 1.8878958393539917
Energy: 1.3737783437773203
Energy: 1.3722600681730057
Energy: 1.3838328781584575
Energy: 1.389134115683232
Energy: 1.3408598298522785
Energy: 1.9228762088956575
Energy: 1.3440886044046805
Energy: 1.3442477202548013
Energy: 1.3822382830803897
Energy: 1.3441643245103263
Energy: 1.3439082007234786

minimum gb energy = 1.2961566333154078 eV
minimum distance =  2.32703661922368 Angstroms
sigma value = 33


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

Energy: 2.41246049666181
Energy: 1.5251006522945425
Energy: 1.8281761402088883
Energy: 1.8244337461562499
Energy: 1.4409564945148456
Energy: 1.929591763162576
Energy: 1.6621166816541533
Energy: 1.378033909015618
Energy: 1.3780584966750684
Energy: 1.3776849883766993
Energy: 1.3781287000825948
Energy: 1.3773903734319335
Energy: 1.9473235006313319
Energy: 1.387489212996794
Energy: 1.4160009193004486
Energy: 1.503283058399451
Energy: 1.3877303857325534
Energy: 1.5402143323735928
Energy: 1.8649846020999368
Energy: 1.527532375305868
Energy: 1.5185802388269387
Energy: 1.4606299859599072
Energy: 1.5247934217900294
Energy: 1.428851608705039
Energy: 1.8306848517092913
Energy: 1.5196674927835474
Energy: 1.5184684979439844
Energy: 1.40961019567703
Energy: 1.519135316778459
Energy: 1.5504197112003952
Energy: 1.9109481488077003
Energy: 1.5623144236989974
Energy: 1.564239090687952
Energy: 1.5296645956946264
Energy: 1.533617450213609
Energy: 1.5135433345099922
Energy: 1.90970464952662
Energy: 1.518004218726491
Energy: 1.5200567751609866
Energy: 1.51776407428185
Energy: 1.5564405189296577
Energy: 1.516560138935236
Energy: 1.8271356806261017
Energy: 1.485106228160183
Energy: 1.4849668370773454
Energy: 1.6184616926997046
Energy: 1.4864036144990391
Energy: 1.4869828277067938
Energy: 1.6011865475073834
Energy: 1.4948782994707166
Energy: 1.5529360412238877
Energy: 1.563827968952177
Energy: 1.4947815290880626
Energy: 1.5562115477609495
Energy: 1.6019834067298893
Energy: 1.5652620186587753
Energy: 1.5479179884345449
Energy: 1.5469734923122351
Energy: 1.5482470475982335
Energy: 1.550319279628777
Energy: 1.7888571077733615
Energy: 1.8232031278170981
Energy: 1.8228885987177577
Energy: 1.4801818760012078
Energy: 1.823550772183338
Energy: 1.8321563332914923
Energy: 1.5227305236319413
Energy: 1.349739015594407
Energy: 1.5075335835530483
Energy: 1.5228079304025852
Energy: 1.323062805202808
Energy: 1.5060712097781068
Energy: 1.502423420664505
Energy: 1.5653936791227083
Energy: 1.5398597892587402
Energy: 1.502208763092982
Energy: 1.571887931224308
Energy: 1.5062099358134304
Energy: 1.6543976918924084
Energy: 1.7305098158491439
Energy: 1.4588763818258295
Energy: 1.7829727338747234
Energy: 1.729592670531366
Energy: 1.4622814262370278
Energy: 1.611281398931286
Energy: 1.5671435848777682
Energy: 1.540592007814696
Energy: 1.5203048266006678
Energy: 1.5668458163192833
Energy: 1.5423832385199379
Energy: 1.6058540063638658
Energy: 1.521366186941327
Energy: 1.5182957914473105
Energy: 1.5588103403079316
Energy: 1.5577672057622896
Energy: 1.5623711708249326
Energy: 1.7579986758175827
Energy: 1.528929172376168
Energy: 1.5447509458213649
Energy: 1.6062578412945692
Energy: 1.533276241767828
Energy: 1.4330569339539903
Energy: 1.66206107624632
Energy: 1.5659706015645065
Energy: 1.5725965721877804
Energy: 1.484739471591562
Energy: 1.6168678224874935
Energy: 1.4873583747531904
Energy: 1.6614100234723146
Energy: 1.451287571885722
Energy: 1.5896666719895995
Energy: 1.486535493383672
Energy: 1.447154539180928
Energy: 1.4070172772662204
Energy: 1.8240127163703257
Energy: 1.422601790354494
Energy: 1.4249734671082843
Energy: 1.601047176258407
Energy: 1.4238140036118518
Energy: 1.4228275756139261
Energy: 1.958800544180436
Energy: 1.4228564621898763
Energy: 1.3896177408123085
Energy: 1.362433967170211
Energy: 1.4908704802437427
Energy: 1.350231146637283
Energy: 1.5586118254017314
Energy: 1.395509277411513
Energy: 1.395599567464355
Energy: 1.464684432648575
Energy: 1.3957231409232334
Energy: 1.3512267623762586
Energy: 1.791107289569919
Energy: 1.387438475239554
Energy: 1.5409821603768505
Energy: 1.5827471179272024
Energy: 1.3874625601340889
Energy: 1.3712873151468088
Energy: 2.013573833666526
Energy: 1.535465998252507
Energy: 1.6904124504152644
Energy: 1.730016968885962
Energy: 1.5713438500943417
Energy: 1.7305447549668787
Energy: 1.7755108437852745
Energy: 1.5191970397206926
Energy: 1.5194209510653023
Energy: 1.5834523412840285
Energy: 1.5203306662762035
Energy: 1.5500602253965596
Energy: 1.9141943676274245
Energy: 1.561586887801789
Energy: 1.5638354384942261
Energy: 1.5677904441614687
Energy: 1.574917570314115
Energy: 1.5125283754728192
Energy: 1.8977454378196141
Energy: 1.6021084375591774
Energy: 1.5330599101166789
Energy: 1.5326579594469985
Energy: 1.552392404669456
Energy: 1.5370805228273332
Energy: 1.8230857410049082
Energy: 1.4843801367900566
Energy: 1.488306782563145
Energy: 1.5686482979871958
Energy: 1.4850110935278407
Energy: 1.5766276410505025
Energy: 1.6027565991265404
Energy: 1.484647392281176
Energy: 1.485904382259301
Energy: 1.550750037333562
Energy: 1.4845889208690444
Energy: 1.5519539726793123
Energy: 1.602412096179718
Energy: 1.565537527338204
Energy: 1.5510080042421677
Energy: 1.5482765207827198
Energy: 1.5674162967127006
Energy: 1.5493854299743948
Energy: 1.645320626318544
Energy: 1.287474446471533
Energy: 1.2865894299666034
Energy: 1.5342525391422401
Energy: 1.2845625055062613
Energy: 1.2856405904425836
Energy: 1.5208455234077496
Energy: 1.3501136118148154
Energy: 1.321889977561104
Energy: 1.525739757144397
Energy: 1.3508906082255345
Energy: 1.5283649119186717
Energy: 1.5022669113480118
Energy: 1.5664870389802839
Energy: 1.538370743484677
Energy: 1.5028486597232524
Energy: 1.567071835617343
Energy: 1.5080285973004774
Energy: 1.5009762028633482
Energy: 1.731777737899165
Energy: 1.730740144383576
Energy: 1.5020872487044592
Energy: 1.729479012521995
Energy: 1.4590310025237294
Energy: 1.586649897603275
Energy: 1.5668606662334033
Energy: 1.5419280788742427
Energy: 1.5165562298144053
Energy: 1.5764191230753297
Energy: 1.5413086443240676
Energy: 1.5993237533272695
Energy: 1.5594453390058545
Energy: 1.5583898644085554
Energy: 1.566334025002426
Energy: 1.5566911326867827
Energy: 1.5574751547515058
Energy: 1.5864970088233974
Energy: 1.5887465559456433
Energy: 1.4254352801923766
Energy: 1.4471402401323428
Energy: 1.4268288844720045
Energy: 1.5854072715468877
Energy: 1.66123494944023
Energy: 1.5723612883548217
Energy: 1.569812217685921
Energy: 1.496144179699247
Energy: 1.5692243495694598
Energy: 1.5719242699699072
Energy: 1.6621291686219957
Energy: 1.446536477318955
Energy: 1.408059910027088
Energy: 1.51965811729012
Energy: 1.4488929343981445
Energy: 1.4873038463775639
Energy: 1.9894146687815162
Energy: 1.4223772639609082
Energy: 1.4250221590076644
Energy: 1.4145236800075285
Energy: 1.423561729762421
Energy: 1.5814087905949439
Energy: 2.0949836512563884
Energy: 1.3654036015219682
Energy: 1.2998502689190672
Energy: 1.2808375201824944
Energy: 1.4090302995568218
Energy: 1.3940017172657047

minimum gb energy = 1.2808375201824944 eV
minimum distance =  2.25145330133716 Angstroms
sigma value = 51


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

Energy: 2.1145457904068636
Energy: 1.5602579685945124
Energy: 2.211493819534005
Energy: 1.7751091506654348
Energy: 1.407641296652471
Energy: 1.7747788690411193
Energy: 1.7277825585105113
Energy: 1.4216100497823636
Energy: 1.4154561247887216
Energy: 1.3947092790266362
Energy: 1.4074704668799254
Energy: 1.416451703158385
Energy: 1.905744645819406
Energy: 1.4044359336603092
Energy: 1.4034258194369138
Energy: 1.4343458737367325
Energy: 1.404302607583833
Energy: 1.3488664323898167
Energy: 1.8215929970644755
Energy: 1.4031690148936058
Energy: 1.353620810263261
Energy: 1.380070528397365
Energy: 1.5396255161187182
Energy: 1.3781486238667047
Energy: 1.7736788832291681
Energy: 1.4829876100549697
Energy: 1.4841567378601523
Energy: 1.3412409502069202
Energy: 1.483551905549817
Energy: 1.4319515573764865
Energy: 1.6120798957190394
Energy: 1.4333216844919223
Energy: 1.4320251123803691
Energy: 1.4305978689516983
Energy: 1.4680975561315035
Energy: 1.4307237084196112
Energy: 1.612320488888931
Energy: 1.4024179426974874
Energy: 1.4319411043105377
Energy: 1.4326976332325854
Energy: 1.4330042510888887
Energy: 1.4312855778797997
Energy: 1.6227442067527063
Energy: 1.298550992364827
Energy: 1.2943050031370547
Energy: 1.518724818184051
Energy: 1.2991440828535568
Energy: 1.2979925284242175
Energy: 1.4037006197939976
Energy: 1.296613524744443
Energy: 1.2967368427206853
Energy: 1.4037746659509776
Energy: 1.2944857890553259
Energy: 1.4009378066908633
Energy: 1.4012672178441536
Energy: 1.3619354515060285
Energy: 1.4158150315577849
Energy: 1.4012699203713115
Energy: 1.3558008406888813
Energy: 1.4160112421041422
Energy: 1.4001040705757097
Energy: 1.517911097436265
Energy: 1.5180410441753676
Energy: 1.405388941568435
Energy: 1.4022003741252642
Energy: 1.5020063259783667
Energy: 1.4645978724246684
Energy: 1.3612273921349691
Energy: 1.4157536502379917
Energy: 1.4156918748559542
Energy: 1.3387974943508625
Energy: 1.4159284412839657
Energy: 1.4426210995050206
Energy: 1.3354204505597125
Energy: 1.3322323063184707
Energy: 1.4276366350348006
Energy: 1.41935134807776
Energy: 1.428675332532184
Energy: 1.4439639621723699
Energy: 1.678383669880129
Energy: 1.677880131186782
Energy: 1.4337376009497285
Energy: 1.6785349843924806
Energy: 1.486468733318785
Energy: 1.7280251350339986
Energy: 1.3880793855036997
Energy: 1.3760084638959724
Energy: 1.3802705358149319
Energy: 1.4009103099926155
Energy: 1.375110234672464
Energy: 1.7399321735100033
Energy: 1.4344356155531806
Energy: 1.433657541696806
Energy: 1.568935164434812
Energy: 1.4335059658176748
Energy: 1.4517660329975413
Energy: 1.7521205625526173
Energy: 1.4343760648998756
Energy: 1.4342603022485059
Energy: 1.4818481568857553
Energy: 1.4346805800008848
Energy: 1.4512088470345652
Energy: 1.940377937387099
Energy: 1.4157204320348074
Energy: 1.3929510082684096
Energy: 1.29023374088374
Energy: 1.4207036679448828
Energy: 1.3995329887990464

minimum gb energy = 1.29023374088374 eV
minimum distance =  2.32792670717154 Angstroms
sigma value = 19


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

Energy: 1.8551714257029348
Energy: 1.494916549196216
Energy: 1.5433238313163014
Energy: 1.5449126919309273
Energy: 1.625801316475524
Energy: 1.6205856365254023
Energy: 1.9039167269881132
Energy: 1.3408696058521925
Energy: 1.340958608745306
Energy: 1.27974371897603
Energy: 1.3408061953185821
Energy: 1.3413468257854546
Energy: 2.000291799611801
Energy: 1.3941185829962224
Energy: 1.3600713670557576
Energy: 1.3362371042463428
Energy: 1.340861324128446
Energy: 1.394387289301788
Energy: 1.5565822734437773
Energy: 1.4210299130475739
Energy: 1.4203720295904052
Energy: 1.4705188245142744
Energy: 1.4202869647178271
Energy: 1.3735586769236647
Energy: 1.9973257516360232
Energy: 1.4281671739366846
Energy: 1.4226729796989674
Energy: 1.2689050554425738
Energy: 1.4204761269622672
Energy: 1.4295838768974305
Energy: 1.6631739751537664
Energy: 1.3051085398582682
Energy: 1.4386524290539724
Energy: 1.4103298646980966
Energy: 1.3050040604379687
Energy: 1.4045252268811148
Energy: 1.6650842326586752
Energy: 1.4592875805243604
Energy: 1.4079339727185174
Energy: 1.408904361484743
Energy: 1.38046370486015
Energy: 1.4018909701467859
Energy: 1.5662837267573047
Energy: 1.1367976498501464
Energy: 1.1392631010915426
Energy: 1.5701340306056268
Energy: 1.2537129945521743
Energy: 1.1688935252031254
Energy: 1.4089845789880875
Energy: 1.1396291315299183
Energy: 1.1507786517123242
Energy: 1.409208536166071
Energy: 1.1383701064014693
Energy: 1.2227480646350097
Energy: 1.408754441179193
Energy: 1.4084746660881398
Energy: 1.4100859903395466
Energy: 1.408805796802642
Energy: 1.5591752858176813
Energy: 1.4109231697852593
Energy: 1.4703025148315159
Energy: 1.4712459858181357
Energy: 1.4714738049394045
Energy: 1.4708887981040428
Energy: 1.4719317358600523
Energy: 1.4545812239828202
Energy: 1.5682806505146614
Energy: 1.518702000406835
Energy: 1.4633228542477885
Energy: 1.4295205047347048
Energy: 1.4294089682395803
Energy: 1.4317315489304385
Energy: 1.3046069660528221
Energy: 1.410577326860521
Energy: 1.5428026031492812
Energy: 1.304819135705905
Energy: 1.4125132388506523
Energy: 1.5423723417185016
Energy: 1.5700679806013045
Energy: 1.5495193783889822
Energy: 1.5493695115148698
Energy: 1.4539246667093293
Energy: 1.5489324339834203
Energy: 1.551331404660279
Energy: 1.8115156518086024
Energy: 1.4097491004727527
Energy: 1.4099629933961426
Energy: 1.1385364218155414
Energy: 1.4092025768467622
Energy: 1.222762061914011
Energy: 1.755611896647405
Energy: 1.4582609452479927
Energy: 1.2529435425616553
Energy: 1.5459489863287341
Energy: 1.4063459742941637
Energy: 1.3709970594485819
Energy: 1.9231992790942714
Energy: 1.4087260134258772
Energy: 1.410772144649303
Energy: 1.4433181812958786
Energy: 1.409384793598088
Energy: 1.4107447651469738
Energy: 1.553516720024369
Energy: 1.4095783037616982
Energy: 1.4098507511657272
Energy: 1.4705549222670842
Energy: 1.409417503628244
Energy: 1.4095121323723043
Energy: 1.5535672541142076
Energy: 1.4040807964295625
Energy: 1.404421835324121
Energy: 1.4706566171296287
Energy: 1.4035213636539448
Energy: 1.5154884902649004
Energy: 1.6684143274008147
Energy: 1.3049495886775655
Energy: 1.4816502421353919
Energy: 1.4689190897571263
Energy: 1.3048355209769735
Energy: 1.5165019833695643
Energy: 1.6314469534848401
Energy: 1.4109912634880293
Energy: 1.4655817975726335
Energy: 1.5483031790863133
Energy: 1.4418547195856677
Energy: 1.5574398247461023
Energy: 1.665890082895304
Energy: 1.4593141866100803
Energy: 1.4626383977968263
Energy: 1.4104160438817512
Energy: 1.4592931464545726
Energy: 1.4109440516997762
Energy: 1.6687499810679607
Energy: 1.544600825424265
Energy: 1.544376522926298
Energy: 1.5083181274814257
Energy: 1.5450359133246163
Energy: 1.5442270151781985
Energy: 1.4047070374586466
Energy: 1.3588604960405375
Energy: 1.4095920217173985
Energy: 1.4084162653266339
Energy: 1.2656336286100243
Energy: 1.4051050017368112
Energy: 1.4045782657311379
Energy: 1.4867013406695635
Energy: 1.4093886089529644
Energy: 1.4081554961366174
Energy: 1.4378521662738295
Energy: 1.4046431844995453
Energy: 1.5788489048347676
Energy: 1.4719650287907913
Energy: 1.4715330349379168
Energy: 1.5849601150557124
Energy: 1.4710336533637018
Energy: 1.2700519550446956
Energy: 1.649573019702343
Energy: 1.5360314061771079
Energy: 1.470203054610534
Energy: 1.3065087223884206
Energy: 1.4713940119338402
Energy: 1.4029817579860138
Energy: 1.3048055344903358
Energy: 1.405268348228895
Energy: 1.3426196710633105
Energy: 1.3047794479703851
Energy: 1.3945390424688764
Energy: 1.4585891194950786
Energy: 1.6509265039304737
Energy: 1.3434059372526337
Energy: 1.341138534242066
Energy: 1.3041372208964035
Energy: 1.3441020320889745
Energy: 1.3973543094743426
Energy: 1.8880206042531888
Energy: 1.376559045267953
Energy: 1.1688377381309747
Energy: 1.1379574416086455
Energy: 1.50382770500052
Energy: 1.2158493438671036

minimum gb energy = 1.1367976498501464 eV
minimum distance =  2.34741595712877 Angstroms
sigma value = 27


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

Energy: 1.4863355158700222
Energy: 1.4723526478071727
Energy: 1.4757911707545153
Energy: 1.3996290308087236
Energy: 2.049848104145333
Energy: 2.0211403290284755
Energy: 1.3436404655087624
Energy: 1.2957655608637826
Energy: 1.2958982110026203
Energy: 1.2481060888111755
Energy: 1.2957560326641562
Energy: 1.295518407685503
Energy: 1.3475131034533574
Energy: 1.2870427123477794
Energy: 1.284889349081007
Energy: 1.2771825926747757
Energy: 1.2861060926026642
Energy: 1.2846442756587328
Energy: 1.1983474696067982
Energy: 1.2286611519322872
Energy: 1.2298285876961563
Energy: 1.2778824217628975
Energy: 1.5984906421143994
Energy: 1.228274678217001
Energy: 1.492090370487022
Energy: 1.363665925981063
Energy: 1.2491863322635526
Energy: 1.3821776618214383
Energy: 1.3631814798914963
Energy: 1.1367141881756038
Energy: 1.2849973178873124
Energy: 1.36476938031972
Energy: 1.36521218478741
Energy: 1.284939855006742
Energy: 1.4030970096143605
Energy: 1.1412321790583417
Energy: 1.2859056460847098
Energy: 1.1937347619280163
Energy: 1.1937065913456686
Energy: 1.2865306835489132
Energy: 1.2480131844187619
Energy: 1.2866886308852938
Energy: 1.3609847003600835
Energy: 1.2240814345852618
Energy: 1.2249055751316011
Energy: 1.3610935156667032
Energy: 1.2230075237123266
Energy: 1.2829871302712323
Energy: 1.348490383798041
Energy: 1.2247190100790926
Energy: 1.2617269703841751
Energy: 1.3565211932949284
Energy: 1.2722602106937126
Energy: 1.2615171322276029
Energy: 1.3492584567081338
Energy: 1.2560615025105124
Energy: 1.2013066471169225
Energy: 1.2999300594384222
Energy: 1.3010916736981564
Energy: 1.3010550030632497
Energy: 1.3472473136725236
Energy: 1.3092141951966303
Energy: 1.3111380085969406
Energy: 1.3006842069652051
Energy: 1.3082819284599871
Energy: 1.3108392615841837
Energy: 1.3471196922815054
Energy: 1.2851074645500473
Energy: 1.2851963475765384
Energy: 1.2481224687039265
Energy: 1.2849262496279206
Energy: 1.2854344808607454

minimum gb energy = 1.1367141881756038 eV
minimum distance =  2.3189537694196 Angstroms
sigma value = 9


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

Energy: 2.2812482697846086
Energy: 1.3426245900220675
Energy: 1.3382617626958917
Energy: 1.5967444124354364
Energy: 1.4788539411915913
Energy: 1.4840969812905505
Energy: 1.328612124604061
Energy: 1.126144518756835
Energy: 1.1266490350497658
Energy: 1.0926516329794946
Energy: 1.1265631805015683
Energy: 1.126630955420252
Energy: 1.136301958546557
Energy: 1.106969402959846
Energy: 1.1074156021785035
Energy: 1.0927064140863834
Energy: 1.106536936936306
Energy: 1.1075416729474432
Energy: 1.4852931811548615
Energy: 1.0698577998776109
Energy: 1.1865398448271804
Energy: 1.0686323200583843
Energy: 1.2954714415512716
Energy: 1.3082775348555737
Energy: 1.3141168983247324
Energy: 1.1611952047433274
Energy: 1.3359999825338162
Energy: 1.1574881383253808
Energy: 1.2019937473829032
Energy: 1.2466951397181683
Energy: 1.1739115114783691
Energy: 1.4292398038628544
Energy: 1.2497522158843852
Energy: 1.1742796067019583
Energy: 1.4225691481052125
Energy: 1.1204413019842803
Energy: 1.1715076652853782
Energy: 1.0950400669819607
Energy: 1.213657909515
Energy: 1.1719951662982944
Energy: 1.1165841224937854
Energy: 1.1724213167404114
Energy: 1.1627060389855945
Energy: 1.2951522379487297
Energy: 1.1645755700332288
Energy: 1.1634192797723977
Energy: 1.290587162281535
Energy: 1.1598093012661888
Energy: 1.1079149945170326
Energy: 1.1418905053957102
Energy: 1.2307634057038914
Energy: 1.099140535014178
Energy: 1.183042876176776
Energy: 1.1382829649691484
Energy: 1.7488793087310819
Energy: 1.1975908465487954
Energy: 1.1649504950140332
Energy: 0.9752942812108938
Energy: 1.2713322697239464
Energy: 1.1551802352309288
Energy: 1.0532603161964065
Energy: 1.158996814981933
Energy: 1.1590883173899211
Energy: 0.9753872321934628
Energy: 1.1587634608332467
Energy: 1.1588619474047157
Energy: 1.1087379372176496
Energy: 1.1762018794510922
Energy: 1.176573467458553
Energy: 1.115973767266136
Energy: 1.17561818762072
Energy: 1.1750606181016976
Energy: 2.01033818663544
Energy: 1.1449444029831513
Energy: 1.4692646432195817
Energy: 1.3153432020953195
Energy: 1.141910869411865
Energy: 1.4685253972666907
Energy: 1.2284155911747532
Energy: 1.1714876449728517
Energy: 1.1333520881235497
Energy: 1.116549461757965
Energy: 1.1718722061546134
Energy: 1.1082157193760183
Energy: 1.1074132778308603
Energy: 1.1751738388062107
Energy: 1.1814127835609163
Energy: 1.1070129327667493
Energy: 1.1744460925153626
Energy: 1.3672905090919294
Energy: 1.1269891004454238
Energy: 1.1401047996526004
Energy: 1.1507387655452748
Energy: 1.1281082135037914
Energy: 1.1257699111676434
Energy: 1.1264483565475594
Energy: 1.1258900918855423
Energy: 1.2740782158212782
Energy: 1.1754992129503012
Energy: 1.1260151066812931
Energy: 1.1430019415303105
Energy: 1.1267330166888092
Energy: 1.136630337691524
Energy: 1.126613491075429
Energy: 1.1750246985031902
Energy: 1.1381300161404808
Energy: 1.1620788777341204
Energy: 1.1740084906381982
Energy: 1.1357207776503355
Energy: 1.1269252091389708
Energy: 1.1102170020866309
Energy: 1.1076601760257905
Energy: 1.12457696952266
Energy: 1.1619261524589828
Energy: 1.1361287611960313
Energy: 1.106366548396355
Energy: 1.107097864631365
Energy: 1.1060596394528703
Energy: 1.1058401988949234
Energy: 1.1357885279081246
Energy: 1.1361683625821806
Energy: 1.1080677729975492
Energy: 1.1078761168102298
Energy: 1.1082111477871681
Energy: 1.1079127919529814
Energy: 1.1281044810110714
Energy: 1.1988941403624886
Energy: 1.1251361474411254
Energy: 1.1842321335881378
Energy: 1.2015116597042244
Energy: 1.1383069995086519
Energy: 1.0813786690132223
Energy: 1.1916620954439059
Energy: 1.1261453955182275
Energy: 1.1264392834801213
Energy: 1.208940054361876
Energy: 1.1259136742994453
Energy: 1.256442242470664
Energy: 1.1361396273057578
Energy: 1.1069177683738307
Energy: 1.1071767620622528
Energy: 1.1241443337564034
Energy: 1.1070261052606298
Energy: 1.1078470464289882
Energy: 1.4762023624835414
Energy: 1.1066416077356263
Energy: 1.3116679447014918
Energy: 1.3556505114140922
Energy: 1.1141472120682296
Energy: 1.35196669532497
Energy: 1.4070676103695086
Energy: 1.096289013891929
Energy: 1.0863771100272437
Energy: 1.1339666233975736
Energy: 1.0897058943219728
Energy: 1.1741509296141042
Energy: 1.2978885672251905
Energy: 1.5199729843886023
Energy: 1.5185856868809573
Energy: 1.2976736812296483
Energy: 1.5190481491147851
Energy: 1.2822624073336897
Energy: 1.1771347952020528
Energy: 1.1995882822992832
Energy: 1.1617283828100167
Energy: 1.1754857933869087
Energy: 1.0966172667917522
Energy: 1.1747894942498627
Energy: 1.1596835990115062
Energy: 1.2068948340450445
Energy: 1.1971402206339965
Energy: 1.1595823352680867
Energy: 1.1419081462291012
Energy: 1.1602831356688859
Energy: 1.271320667810233
Energy: 1.2946474667417505
Energy: 1.230928630322836
Energy: 1.2715681129888894
Energy: 1.2905563657394141
Energy: 1.1649645159991522
Energy: 1.0525470569468327
Energy: 1.1654277624119853
Energy: 1.164712645783958
Energy: 1.0817272374749964
Energy: 1.1971040489683709
Energy: 1.2589423347020232
Energy: 1.7489333017164246
Energy: 1.1592188804490415
Energy: 1.1580318315068459
Energy: 1.0258336334126905
Energy: 1.1584780436630975
Energy: 1.154726059201217
Energy: 1.1265049347317335
Energy: 1.1712169213851087
Energy: 1.1713752978739542
Energy: 1.1160696790764162
Energy: 1.1710764608391935
Energy: 1.1710359601464115
Energy: 1.4726613720101787
Energy: 1.1755485575920066
Energy: 1.1755899423092138
Energy: 1.10333959416831
Energy: 1.1756998123232616
Energy: 1.1283068730519463
Energy: 1.1235917077940205
Energy: 1.1758512328392434
Energy: 1.1756787495116217
Energy: 1.1039332071525554
Energy: 1.175875678632023
Energy: 1.3377863629916964
Energy: 1.2952550454084482
Energy: 1.1480058494972345
Energy: 1.0936326744884912
Energy: 1.2954201493647433
Energy: 1.1489634732574354
Energy: 1.1890527427701436
Energy: 1.129826857362363
Energy: 1.0935706672412386
Energy: 1.1049559374178186
Energy: 1.1305175342623046
Energy: 1.1217059567744503
Energy: 1.107409609859994
Energy: 1.1251081699944918
Energy: 1.1238216825306293
Energy: 1.0790752810305067
Energy: 1.1253220170762872
Energy: 1.113362982218561
Energy: 1.1259678997840294
Energy: 1.5310591006012797
Energy: 1.486589264678088
Energy: 1.4865487104239978
Energy: 1.5309732994193246
Energy: 1.4859566156343416
Energy: 1.1333847018284806
Energy: 1.1349738380068544
Energy: 1.1243683297936038
Energy: 1.0790921614606135
Energy: 1.1250287950262203
Energy: 1.1048690355243487
Energy: 1.1570173891365492
Energy: 1.1349529045157036
Energy: 1.1086369162931333
Energy: 1.0797132560941485
Energy: 1.1157553791982724
Energy: 1.1082253423617043
Energy: 1.1182292773436682
Energy: 1.1361050754506063
Energy: 1.1070011933791646
Energy: 1.1068067598829627
Energy: 1.1079096353033109
Energy: 1.1065646712624284
Energy: 1.1349859174237085
Energy: 1.1914723786427734
Energy: 1.1259859307390574
Energy: 1.1263834183870218
Energy: 1.2067196906078514
Energy: 1.1258781333366767
Energy: 1.2567059955936029

minimum gb energy = 0.9752942812108938 eV
minimum distance =  2.25859381610596 Angstroms
sigma value = 57


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

Energy: 0.6736278636446438
Energy: 0.664524271553951
Energy: 0.6451547087804966
Energy: 0.5295206815277617
Energy: 0.9507262510229512
Energy: 0.6751637507177032
Energy: 0.6745610688351454
Energy: 0.8511576442816858
Energy: 0.8533502207850716
Energy: 0.8162286585601047
Energy: 0.8219193870461475
Energy: 0.8693771146384839
Energy: 0.9151566191469619
Energy: 0.8616167980851716
Energy: 0.8608449053390224
Energy: 0.8717023964197192
Energy: 0.8610132182353623
Energy: 0.860312432090488
Energy: 0.9161669288470822
Energy: 0.8534654736971129
Energy: 0.8705430997271276
Energy: 0.8703296097696055
Energy: 0.8704183780705265
Energy: 0.8542138618541576
Energy: 0.9118844183177289
Energy: 0.5266633414784256
Energy: 0.5749062694797268
Energy: 0.9359527081299779
Energy: 0.5263434543084137
Energy: 0.8958610987890973
Energy: 0.8636152327111449
Energy: 0.5263246088290192
Energy: 0.5267141309599572
Energy: 0.9083346797909408
Energy: 0.5262271404522442
Energy: 0.5743830615701824
Energy: 0.8580565836147798
Energy: 0.8181472499682158
Energy: 0.8763031267818098
Energy: 0.8589468333098906
Energy: 0.8573608138957811
Energy: 0.8934936859482344
Energy: 0.864120298042695
Energy: 0.9391517501570098
Energy: 0.9384959417962855
Energy: 0.8638148118588717
Energy: 0.9392163351451784
Energy: 0.8640977622643384
Energy: 0.9267452852503729
Energy: 0.8973975611548163
Energy: 0.86018642331567
Energy: 0.8579431804467224
Energy: 0.8614044046142358
Energy: 0.8592234720672524
Energy: 0.526057378199065
Energy: 0.8645813783857161
Energy: 0.5765536260165383
Energy: 0.5261656592867259
Energy: 0.8648240636339602
Energy: 0.5289105229703571
Energy: 0.5261800754184445
Energy: 0.8269031608830923
Energy: 0.8280250151766232
Energy: 0.5263159081094237
Energy: 0.826405495059212
Energy: 0.574795976081189
Energy: 0.9301104744479547
Energy: 0.8625118697012724
Energy: 0.898156046500249
Energy: 0.9454562369904725
Energy: 0.8617678878517155
Energy: 0.8983132702112442
Energy: 0.9292279042518333
Energy: 0.9367029694422924
Energy: 0.936489521607077
Energy: 0.9374573486667928
Energy: 0.9315728070133324
Energy: 0.9372194113299059
Energy: 0.9260634814975697
Energy: 0.8570316646747546
Energy: 0.8577036453586465
Energy: 0.9282870598147646
Energy: 0.8573247361988743
Energy: 0.85945089689159
Energy: 0.9047264131029062
Energy: 0.5259640332332728
Energy: 0.526147742536081
Energy: 0.8455650198280994
Energy: 0.5263030541396667
Energy: 0.5270340919185552
Energy: 0.8478015657732694
Energy: 0.871118968819419
Energy: 0.8996069197394216
Energy: 0.8698204772011466
Energy: 0.5263601318872926
Energy: 0.8451069149792905
Energy: 0.8488891517631775
Energy: 0.8150467539338182
Energy: 0.9026623784223446
Energy: 0.8711542828028571
Energy: 0.8611996422157899
Energy: 0.8496255727107245
Energy: 0.949092509160854
Energy: 0.9322076033741936
Energy: 0.9298279303997976
Energy: 0.9393078328962908
Energy: 0.8605781172623653
Energy: 0.8545638465888112
Energy: 0.6745206690910419
Energy: 0.9920413384065424
Energy: 0.9571961705455243
Energy: 0.5263334206512654
Energy: 1.0038134652997583
Energy: 0.8592047190806885

minimum gb energy = 0.5259640332332728 eV
minimum distance =  2.36471596442876 Angstroms
sigma value = 11


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

Energy: 1.8431586436136984
Energy: 1.8859920265963033
Energy: 1.263464751581893
Energy: 1.6381444090865265
Energy: 1.3154619038660496
Energy: 1.2629037647055958
Energy: 0.9559676591594182
Energy: 0.9240011327770433
Energy: 0.9783339286041608
Energy: 0.9852471147495637
Energy: 0.923895035029586
Energy: 1.0208377667924944
Energy: 0.9247758282201912
Energy: 0.9254533936859252
Energy: 0.9544109831289548
Energy: 0.9262549512813965
Energy: 0.92602004803816
Energy: 0.954572342553618
Energy: 0.9247469873291442
Energy: 1.0056194451534373
Energy: 1.058252210610936
Energy: 0.9258968069328115
Energy: 0.9274214958509641
Energy: 0.9528847321990491
Energy: 0.9260972799513237
Energy: 1.0726310923477178
Energy: 1.0239179547221928
Energy: 0.9259637687128232
Energy: 1.1484247289920717
Energy: 0.9805306355422008
Energy: 1.2438758685376339
Energy: 1.3256134689340104
Energy: 1.326597046715767
Energy: 1.2435099629852309
Energy: 1.3253685331474274
Energy: 1.0127604684683014
Energy: 1.0026558742829814
Energy: 0.968250036975508
Energy: 1.0394322822601607
Energy: 0.9248159625692658
Energy: 1.0109164877098205
Energy: 1.0087820009902806
Energy: 0.955741403237781
Energy: 1.0176741848213102
Energy: 1.018718792183044
Energy: 0.9564035011386952
Energy: 1.0171943735828095
Energy: 1.1927334859123822
Energy: 1.240738624569367
Energy: 1.0100591639574363
Energy: 0.9545534803048453
Energy: 0.956300790652969
Energy: 1.009970453134644
Energy: 0.9466455982241818
Energy: 1.5875505376882357
Energy: 1.0141332040996525
Energy: 1.0147591109487908
Energy: 1.4896936060725476
Energy: 1.014551687042457
Energy: 1.1461329994806837
Energy: 1.3107721828627892
Energy: 1.0098239114412693
Energy: 1.036747921179625
Energy: 1.1468845842798001
Energy: 1.2364920724585773
Energy: 1.0365889493956915
Energy: 1.2415181294724007
Energy: 0.8897615330941195
Energy: 1.0053547057267107
Energy: 1.2410237854949089
Energy: 0.8934252827429748
Energy: 0.9846856869564969
Energy: 1.1534739878820692
Energy: 0.8911749276200106
Energy: 1.0407808677968726
Energy: 1.1538586215251734
Energy: 0.8936313687757442
Energy: 1.1536322369616177
Energy: 1.1500596609265565
Energy: 0.9840303635286942
Energy: 1.1049097925427147
Energy: 1.1481959530358627
Energy: 1.082302213928778
Energy: 1.0903929451905603
Energy: 1.148130558337931
Energy: 1.4813768724665906
Energy: 1.4845319706872429
Energy: 1.1483351423226358
Energy: 1.4721748218288422
Energy: 1.1480862014315467
Energy: 1.580938726809093
Energy: 1.0605540008008811
Energy: 1.0041708579095134
Energy: 1.4039341303667812
Energy: 1.1485221394500535
Energy: 1.1230133968891498
Energy: 1.3685618984383152
Energy: 1.4871477636026245
Energy: 1.3299347015397673
Energy: 1.3354327939081845
Energy: 1.6037532856879981
Energy: 1.1632068379560883
Energy: 1.6328670888788221
Energy: 1.14695996842197
Energy: 1.1441268918345413
Energy: 1.1300620781851416
Energy: 1.1469641565217172
Energy: 1.0511130363070225
Energy: 1.3410322554828722
Energy: 1.0628417011975662
Energy: 1.0625237432684556
Energy: 1.0112852166809418
Energy: 1.1490651588398246
Energy: 1.0345842516714177
Energy: 1.1617309640113451
Energy: 1.3581434930313299
Energy: 1.1779551356948
Energy: 1.158241809979607
Energy: 1.3396320558309724
Energy: 1.263373686796468
Energy: 1.5803682507035528
Energy: 1.1359476473960335
Energy: 1.0035867207145246
Energy: 1.1680714596882467
Energy: 1.1644981267755643
Energy: 1.036337604170589
Energy: 1.0137825438672317
Energy: 1.4145978810366546
Energy: 1.4152993154219287
Energy: 1.0138738963234817
Energy: 1.338069750516085
Energy: 1.2040905044573207
Energy: 1.0130437404776953
Energy: 0.9503961933703949
Energy: 1.0240847619677853
Energy: 1.0129286460223534
Energy: 0.9943009350243915
Energy: 1.0261044655266132
Energy: 1.015681707287887
Energy: 0.9559795036247317
Energy: 1.011549499077559
Energy: 1.018072085733521
Energy: 0.9279079406975775
Energy: 1.0120197525170105
Energy: 0.9248322279253501
Energy: 0.9247934792532574
Energy: 0.9253109017543188
Energy: 0.9262920516991385
Energy: 0.9260603739649745
Energy: 1.044584827863931
Energy: 1.52999148787101
Energy: 0.9526866278441524
Energy: 0.9796195790153109
Energy: 1.1665718126963083
Energy: 0.927489638436401
Energy: 0.9488293011671566

minimum gb energy = 0.8897615330941195 eV
minimum distance =  2.32727078634506 Angstroms
sigma value = 41


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

Energy: 1.7899026008893815
Energy: 1.0671342973971147
Energy: 1.06710137763231
Energy: 1.4254004441215706
Energy: 1.1147782452856807
Energy: 1.3667711901530981
Energy: 1.072397806048922
Energy: 1.0224362090968733
Energy: 1.0890367023403489
Energy: 1.047639533042972
Energy: 1.0222837247421077
Energy: 1.0560590666887228
Energy: 1.0251516250322217
Energy: 1.0256972143691017
Energy: 1.0260357218373137
Energy: 1.0249901243793895
Energy: 1.0245683368232534
Energy: 1.0825164194091867
Energy: 1.0243432085069186
Energy: 1.1039581123768045
Energy: 1.1031977071642507
Energy: 1.024040711292209
Energy: 1.023033731997658
Energy: 1.0662046171748394
Energy: 1.0230624763135747
Energy: 1.153039951412182
Energy: 1.1092051887726697
Energy: 1.0229785109854153
Energy: 1.1163594862224586
Energy: 1.0822115787610924
Energy: 1.4458597442339347
Energy: 1.2058183188330642
Energy: 1.1663540413976585
Energy: 1.444469440614685
Energy: 1.2056661658679149
Energy: 1.16693378891995
Energy: 1.1472779785176372
Energy: 1.0252643081240462
Energy: 1.023526062663536
Energy: 1.0228703539401978
Energy: 1.0675458507314752
Energy: 1.1264183376173085
Energy: 1.072973835650338
Energy: 1.1900781219061396
Energy: 1.190242303187249
Energy: 1.073500770105595
Energy: 1.1900197909727421
Energy: 1.1047743113010102
Energy: 1.4409566714763986
Energy: 1.1331539625911802
Energy: 1.076641757665971
Energy: 1.0593439091891548
Energy: 1.1174760073385932
Energy: 1.0560971220092197
Energy: 1.3932900224950941
Energy: 1.1666584427204194
Energy: 1.166872826144312
Energy: 1.2996507335955325
Energy: 1.1665589236160727
Energy: 1.02485521661653
Energy: 1.4586700428660844
Energy: 1.0244357499963628
Energy: 1.0571547275651783
Energy: 1.0223712456667817
Energy: 1.048674394762008
Energy: 1.1162010088244914
Energy: 1.6262229108317288
Energy: 1.006731929210397
Energy: 1.1222459260988962
Energy: 1.4427774890250349
Energy: 0.9691180560991327
Energy: 1.0627916389057397
Energy: 1.1668443037293073
Energy: 0.9700645410067881
Energy: 1.3413169389975548
Energy: 1.1668765042472686
Energy: 0.9697790855756184
Energy: 1.341418390048237
Energy: 1.1175776459124012
Energy: 1.1021890751740628
Energy: 1.0550883883833249
Energy: 1.1178102906994758
Energy: 1.0830725354573085
Energy: 1.089860684712095
Energy: 1.1763380851761003
Energy: 1.2975809164383698
Energy: 1.295704248405263
Energy: 1.1768493340342858
Energy: 1.3054220425287488
Energy: 1.1764268070583332
Energy: 1.0224244194956276
Energy: 1.0239645075129797
Energy: 1.1260164159014103
Energy: 1.0864236050994096
Energy: 1.0226500312501052
Energy: 1.0236454702764992
Energy: 1.7127774886582359
Energy: 1.553567476970293
Energy: 0.9701806339506004
Energy: 1.409347218738302
Energy: 1.51535908638662
Energy: 1.3756828724593149
Energy: 1.071805914527612
Energy: 1.023119987210083
Energy: 1.0899132562692746
Energy: 1.2612152456060768
Energy: 1.0229623109383863
Energy: 1.0481933231107177
Energy: 1.0234716069429355
Energy: 1.0254351134764357
Energy: 1.0260265146169594
Energy: 1.0232955147236216
Energy: 1.0241652841422555
Energy: 1.0941033874689507
Energy: 1.0252026977111925
Energy: 1.0941431874734235
Energy: 1.0218891383872644
Energy: 1.0254282148434877
Energy: 1.023764986694468
Energy: 1.0253737004252388
Energy: 1.0223659544775048
Energy: 1.0750867372239916
Energy: 1.058154920144664
Energy: 1.0223100242953163
Energy: 1.1339836485525727
Energy: 1.126225201882118
Energy: 1.7063392452341097
Energy: 1.2060086756960688
Energy: 1.205463804245283
Energy: 1.7059107462426921
Energy: 1.6732689893085388
Energy: 1.2052757826275928
Energy: 1.4394317645077486
Energy: 1.0751570447111336
Energy: 1.0581955867751143
Energy: 1.0222664534026236
Energy: 1.1576342539110804
Energy: 1.1262839913280867
Energy: 1.0726981247202807
Energy: 1.2030184549366738
Energy: 1.1964388265576427
Energy: 1.0732204455297847
Energy: 1.1767380574824773
Energy: 1.1828954478999671
Energy: 1.4415065085972236
Energy: 1.0246297374431927
Energy: 1.0566154849769827
Energy: 1.0228609780926587
Energy: 1.1187231058682148
Energy: 1.0556362985459662
Energy: 1.458378956766755
Energy: 1.0241896528641468
Energy: 1.0249730478026478
Energy: 1.0223085050242817
Energy: 1.1665854792842272
Energy: 1.1160961967787904
Energy: 1.3934625071700886
Energy: 1.1667185610954272
Energy: 1.0240946080268039
Energy: 1.2999580369571981
Energy: 1.4409719612604017
Energy: 1.0571672288385772
Energy: 1.4413424472225167
Energy: 1.007365378779871
Energy: 1.115699969212648
Energy: 1.025638985435225
Energy: 0.968578795667572
Energy: 1.0558195778210449
Energy: 1.1667697807667048
Energy: 1.4206745137705374
Energy: 1.3795874785013444
Energy: 1.1666847897696946
Energy: 1.4185842209925983
Energy: 1.3791785969205772
Energy: 1.1167448117380725
Energy: 1.055310165335593
Energy: 1.1494996280401821
Energy: 1.1170446047276685
Energy: 1.0563995486680027
Energy: 1.149193589137463
Energy: 1.1889579322646093
Energy: 1.273799535356009
Energy: 1.161095156304903
Energy: 1.18944071504039
Energy: 1.3064860788641512
Energy: 1.1604052864727517
Energy: 1.022689119579663
Energy: 1.026584047347813
Energy: 1.0930104447298983
Energy: 1.02271151269572
Energy: 1.0231489157665123
Energy: 1.066908923824313
Energy: 1.712735138754978
Energy: 1.0495526638762946
Energy: 0.9697905601585308
Energy: 1.4095110796440493
Energy: 1.442769608937764
Energy: 1.0481567367840092

minimum gb energy = 0.968578795667572 eV
minimum distance =  2.31546943794878 Angstroms
sigma value = 33


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

Energy: 1.3812507116845032
Energy: 1.1200222586549407
Energy: 1.1204288088186318
Energy: 1.3843341060838825
Energy: 1.331935623223419
Energy: 1.120792036153455
Energy: 1.2960161560875205
Energy: 1.1230667100560077
Energy: 1.0871040115102504
Energy: 1.088575050334266
Energy: 1.1260743144024632
Energy: 1.0868416755285526
Energy: 1.13080562733765
Energy: 1.0909149663889137
Energy: 1.09177984297813
Energy: 1.1309138697401127
Energy: 1.1792780002402383
Energy: 1.0946859690404784
Energy: 1.1336471881396446
Energy: 1.132858813287314
Energy: 1.0908764499954675
Energy: 1.1310641287824967
Energy: 1.1769754734352222
Energy: 1.0895084126022205
Energy: 1.1273779029207107
Energy: 1.091566231610438
Energy: 1.053711792416833
Energy: 1.1234930436798332
Energy: 1.1331985021339523
Energy: 1.1904822598991731
Energy: 1.2325551308620248
Energy: 1.0606115910174823
Energy: 1.0607715425619717
Energy: 1.232140158262332
Energy: 1.491729050652772
Energy: 1.0603386546951368
Energy: 1.2945875852748685
Energy: 1.053734588699217
Energy: 1.0916373053475523
Energy: 1.1279897056221717
Energy: 1.0906205005828447
Energy: 1.0889738674214364
Energy: 1.1922736660879978
Energy: 1.1023864114799575
Energy: 1.1288824564429318
Energy: 1.1999312431072733
Energy: 1.103777716493617
Energy: 1.0917625804576416
Energy: 1.1973493191237434
Energy: 1.0511997183690163
Energy: 1.0510855933150487
Energy: 1.2054595486167397
Energy: 1.053853270021967
Energy: 1.0512745004082078
Energy: 1.2949785583082172
Energy: 1.057142207012846
Energy: 1.0607432955249307
Energy: 1.1305449180842897
Energy: 1.0600877848057806
Energy: 1.0543979152185168
Energy: 1.295094725962332
Energy: 1.1719417068712583
Energy: 1.0910222275573445
Energy: 1.1321317720804818
Energy: 1.1395406116446123
Energy: 1.0907452748408133
Energy: 1.1950352870124672
Energy: 1.0528681674875369
Energy: 1.051722995368114
Energy: 1.1946020389219367
Energy: 1.0572957346800815
Energy: 1.0525736820313671
Energy: 1.126272295496746
Energy: 1.053096858870923
Energy: 1.0515974929995249
Energy: 1.1260206688248955
Energy: 1.0566444687217873
Energy: 1.2147167996537487
Energy: 1.128402656079508
Energy: 1.1699037064992859
Energy: 1.0897266548414848
Energy: 1.129920400384991
Energy: 1.211943263191119
Energy: 1.0885205087482561
Energy: 1.0530280958670497
Energy: 1.2114601089250683
Energy: 1.1286985504195772
Energy: 1.1309351025163485
Energy: 1.180311762617215
Energy: 1.0909678255144875
Energy: 1.1241719150064828
Energy: 1.1260242187873506
Energy: 1.1784476704328206
Energy: 1.1375109273804431
Energy: 1.128357720184709
Energy: 1.08866060684734
Energy: 1.6414822899895753
Energy: 1.1608929939010508
Energy: 1.3802966355567254
Energy: 1.4907006064551755
Energy: 1.1640633660764925
Energy: 1.0553799739928815
Energy: 1.1973502346685116
Energy: 1.1253465982848572
Energy: 1.1868772527855775
Energy: 1.1304277335917094
Energy: 1.2070062952860912
Energy: 1.0513756708070094
Energy: 1.131367809323849
Energy: 1.0542647368387124
Energy: 1.0537751352352647
Energy: 1.1325732217295725
Energy: 1.1999321553312636
Energy: 1.088222371054962
Energy: 1.0547108617270957
Energy: 1.0514711512327013
Energy: 1.051388593423368
Energy: 1.054386950307344
Energy: 1.1998697850016657
Energy: 1.0936555569264232
Energy: 1.0535515334838417
Energy: 1.0893691080170416
Energy: 1.0517763408724086
Energy: 1.0543701852423968
Energy: 1.1792008468328545
Energy: 1.0532946679084798
Energy: 1.349667809856062
Energy: 1.0630373331970064
Energy: 1.0618417527367638
Energy: 1.3498098469952236
Energy: 1.1675150807123273
Energy: 1.3804670286536753
Energy: 1.2224467366716196
Energy: 1.1234012664063642
Energy: 1.0908661387595202
Energy: 1.0889087863417024
Energy: 1.1250814358511048
Energy: 1.0518600611816245
Energy: 1.2000986009395544
Energy: 1.8698867981459724
Energy: 1.390837296165257
Energy: 1.049227779069125
Energy: 1.820252410015498
Energy: 1.059576675163402
Energy: 1.2955841773081624
Energy: 1.1228957534732174
Energy: 1.0885457367986984
Energy: 1.0547748059359832
Energy: 1.1239977468802973
Energy: 1.0887172502079723
Energy: 1.1349225390504185
Energy: 1.180294802059086
Energy: 1.0884309885918466
Energy: 1.1302432882245146
Energy: 1.1309395450848523
Energy: 1.0940623818316009
Energy: 1.1307334144763812
Energy: 1.0925735350805514
Energy: 1.129007640707406
Energy: 1.130553076011038
Energy: 1.1794480358288606
Energy: 1.0898028622370315
Energy: 1.1262281614002807
Energy: 1.0528140262854428
Energy: 1.0510449903928967
Energy: 1.1268914137410215
Energy: 1.1313214280781847
Energy: 1.0874804344653635
Energy: 1.4942464336292105
Energy: 1.0608166469539722
Energy: 1.060982363774882
Energy: 1.4941165924399686
Energy: 1.491101160740988
Energy: 1.0618623353283165
Energy: 1.197140722328045
Energy: 1.0515756514967154
Energy: 1.0511583551356403
Energy: 1.1265140252424832
Energy: 1.0901896844189383
Energy: 1.0899948686373009
Energy: 1.1933600677967275
Energy: 1.0907928774435591
Energy: 1.070439548641032
Energy: 1.19884668332644
Energy: 1.0907760766041987
Energy: 1.0683511581871334
Energy: 1.1996675766738192
Energy: 1.0540871416344226
Energy: 1.0528560403372655
Energy: 1.126284960621042
Energy: 1.0556848525118547
Energy: 1.0518483629464503
Energy: 1.2954044585802453
Energy: 1.1380209342890417
Energy: 1.137837299931459
Energy: 1.1304262778822745
Energy: 1.1406804594785211
Energy: 1.0930432018818372
Energy: 1.2947209788263085
Energy: 1.0895562928848475
Energy: 1.0913392523388985
Energy: 1.1359042390896301
Energy: 1.3772908073189771
Energy: 1.0925531637652421
Energy: 1.1996083215745832
Energy: 1.0529998646296521
Energy: 1.0520409746965256
Energy: 1.200816962344659
Energy: 1.0563385982495086
Energy: 1.051368460985548
Energy: 1.1326304196539771
Energy: 1.2138591461778625
Energy: 1.0493859400261238
Energy: 1.1331364755386544
Energy: 1.0491322333794775
Energy: 1.0492960026549352
Energy: 1.1248573280173113
Energy: 1.170926482647853
Energy: 1.0901919653977616
Energy: 1.1259828080793153
Energy: 1.2115408490606299
Energy: 1.0881856216026595
Energy: 1.0785761415016677
Energy: 1.0909238731612236
Energy: 1.0903119197881783
Energy: 1.0785761974761745
Energy: 1.1315653746410739
Energy: 1.0902360199271386
Energy: 1.1250067954000627
Energy: 1.177092497642674
Energy: 1.1780745920024498
Energy: 1.1383461143846239
Energy: 1.12992960347451
Energy: 1.087440423631226
Energy: 1.6416696251481617
Energy: 1.124235531999682
Energy: 1.1609893343330795
Energy: 1.4917602275941202
Energy: 1.1244698702470832
Energy: 1.0521546682719902
Energy: 1.1965801984151463
Energy: 1.2431692152391738
Energy: 1.1603579370010015
Energy: 1.1327206484688095
Energy: 1.206709628901747
Energy: 1.0541588786652598
Energy: 1.1286829125425188
Energy: 1.2917335270369403
Energy: 1.052719054216103
Energy: 1.143980791232784
Energy: 1.1993670232252305
Energy: 1.0923268339814551
Energy: 1.058019729656472
Energy: 1.049608856528733
Energy: 1.0531930179116975
Energy: 1.1387944586046816
Energy: 1.2001688346383546
Energy: 1.052711051760281
Energy: 1.0515696019943999
Energy: 1.0517700678174093
Energy: 1.0546076435525944
Energy: 1.0524035983801194
Energy: 1.173157343220952
Energy: 1.0508334375035246
Energy: 1.1754282644205443
Energy: 1.063903436148733
Energy: 1.0911145426371558
Energy: 1.1740885946075204
Energy: 1.1615871727972777
Energy: 1.0963187068224154
Energy: 1.1236556488642173
Energy: 1.178973317214447
Energy: 1.089324831937411
Energy: 1.0550861815111328
Energy: 1.1254248015422308
Energy: 1.0876674727069306
Energy: 1.3886867933480862
Energy: 1.4556179215196963
Energy: 1.0494276123014281
Energy: 1.0516323060639499
Energy: 1.4563864643973998
Energy: 1.1337820243683587

minimum gb energy = 1.0491322333794775 eV
minimum distance =  2.3068098025255 Angstroms
sigma value = 67


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

Energy: 1.6058706693579823
Energy: 1.1097702796085533
Energy: 1.1096637619803478
Energy: 1.60996096346002
Energy: 2.3179929874903804
Energy: 1.1096101287218403
Energy: 1.3695735736875767
Energy: 1.12303283407076
Energy: 1.1226543168384975
Energy: 1.2313282361891267
Energy: 1.1994074215462536
Energy: 1.1141274240311176
Energy: 1.3585271001304795
Energy: 1.0727424481380219
Energy: 1.1273504484960435
Energy: 1.2332203526653491
Energy: 1.0726058087505579
Energy: 1.127304619271994
Energy: 1.2302930444868623
Energy: 1.125044738420999
Energy: 1.12474945013633
Energy: 1.2304258524063938
Energy: 1.1410493489621538
Energy: 1.124738317231206
Energy: 1.2099222707666892
Energy: 1.1426248874264473
Energy: 1.1427210365568927
Energy: 1.2104672818261677
Energy: 1.142550859499788
Energy: 1.143464786881817
Energy: 1.2116707066379504
Energy: 1.0894520374325287
Energy: 1.2123140149502682
Energy: 1.2118669645209847
Energy: 1.3492647352039644
Energy: 1.2117546701717041
Energy: 1.3647056787868284
Energy: 1.1419563342720156
Energy: 1.138742318925988
Energy: 1.3647320125848195
Energy: 1.2109488085831555
Energy: 1.1123859508010547

minimum gb energy = 1.0726058087505579 eV
minimum distance =  2.3565472133035 Angstroms
sigma value = 3


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

Energy: 2.1137346220632187
Energy: 1.551884757613142
Energy: 1.3909809596325358
Energy: 1.643365104246012
Energy: 1.6009625274074144
Energy: 1.402903262291496
Energy: 1.1840148509951764
Energy: 1.3588633036452673
Energy: 1.3054974816527778
Energy: 1.3028470482682162
Energy: 1.4492037122422177
Energy: 1.1938164488192347
Energy: 1.2566022931672087
Energy: 1.1854688309847325
Energy: 1.1845976217572651
Energy: 1.256850044453446
Energy: 1.1853551574817918
Energy: 1.193106806278036
Energy: 1.1996149190141736
Energy: 1.1932015523642823
Energy: 1.1929811570566848
Energy: 1.1997675255096505
Energy: 1.184501250877049
Energy: 1.1929343274503559
Energy: 1.1916053994597817
Energy: 1.1946453355290292
Energy: 1.194318778592784
Energy: 1.1922418651091538
Energy: 1.2611034132166936
Energy: 1.1932236610690887
Energy: 1.1922676079223695
Energy: 1.2612859972730277
Energy: 1.1951677193809755
Energy: 1.1926794741132087
Energy: 1.2910352803651173
Energy: 1.194280666015152
Energy: 1.192287267789787
Energy: 1.4212724654526725
Energy: 1.248604932294064
Energy: 1.2809952198241938
Energy: 1.4259649247998565
Energy: 1.2178212710551004
Energy: 1.9546090520211326
Energy: 1.6171758127726878
Energy: 1.379666467000533
Energy: 1.9588489007494165
Energy: 1.6162891793586205
Energy: 1.3968471653059846
Energy: 1.1948959119901663
Energy: 1.221443185351291
Energy: 1.2983210038500024
Energy: 1.2551132753829484
Energy: 1.3580362307254836
Energy: 1.2151395228385806
Energy: 1.7852434111170177
Energy: 1.2259366340208357
Energy: 1.2258769111971526
Energy: 1.7064104426942412
Energy: 1.2264068252706954
Energy: 1.3519872015535843
Energy: 1.3728183832324845
Energy: 1.2458756501211083
Energy: 1.2463367762505042
Energy: 1.3743392322455585
Energy: 1.3747250777353315
Energy: 1.2357157860446513
Energy: 1.3655090377465116
Energy: 1.2466359503312514
Energy: 1.1958540030669715
Energy: 1.342665366626272
Energy: 1.194793237107073
Energy: 1.1968300636200455
Energy: 1.3499157894309874
Energy: 1.1949529400508068
Energy: 1.1968353349298155
Energy: 1.3293986403915143
Energy: 1.194381763968021
Energy: 1.19708808019955
Energy: 1.3387564354356303
Energy: 1.194265352522131
Energy: 1.1943289015620517
Energy: 1.3408601908877824
Energy: 1.2013712629991562
Energy: 1.1948691953119954
Energy: 1.7238985307082042
Energy: 1.1965324991710662
Energy: 1.1966779797161422
Energy: 1.2918474205929595
Energy: 1.1961130284544539
Energy: 1.196943791306862
Energy: 1.4516663583522453
Energy: 1.1958404358394525
Energy: 1.2587881967957795
Energy: 1.4539217181782733
Energy: 1.2529956721109499
Energy: 1.2583112591740149
Energy: 1.5891906155120772
Energy: 1.2806674164624918
Energy: 1.2809632928603811
Energy: 1.576411682105334
Energy: 1.2179496978205409
Energy: 1.4317643437064689
Energy: 1.3838229661676533
Energy: 1.2659077223769961
Energy: 1.266870704267501
Energy: 1.3837643724930138
Energy: 1.4088532200756854
Energy: 1.2656779802919467
Energy: 1.5371645637711415
Energy: 1.4373083973535505
Energy: 1.2390444961235536
Energy: 1.3804130942440866
Energy: 1.194520468836533
Energy: 1.1933714688491908
Energy: 1.5950362640214633
Energy: 1.266269562991752
Energy: 1.2390686871657675
Energy: 1.310686308960288
Energy: 1.2671066549811902
Energy: 1.226012487424696
Energy: 1.2739938086331875
Energy: 1.2629651458231528
Energy: 1.2656222709578149
Energy: 1.2786276945767092
Energy: 1.2789431392062982
Energy: 1.2704517173764382
Energy: 1.2781714086290075
Energy: 1.2659828461816964
Energy: 1.274213761995323
Energy: 1.2838846386945726
Energy: 1.2635952641784307
Energy: 1.275378371829528
Energy: 1.2740043645968202
Energy: 1.2699289786745356
Energy: 1.3440874479486815
Energy: 1.2763826718107114
Energy: 1.2909090640228542
Energy: 1.3454410658923854
Energy: 1.274308438708725
Energy: 1.1954359443264846
Energy: 1.1949583221606344
Energy: 1.274919981726524
Energy: 1.1961943342425656
Energy: 1.2759881615974245
Energy: 1.1900433839780469
Energy: 1.1776257956762717
Energy: 1.1772221838347579
Energy: 1.17694150022989
Energy: 1.4471827954109202
Energy: 1.1773791315434974
Energy: 2.0008212399165206
Energy: 1.4844684081341697
Energy: 1.3639609923098657
Energy: 1.1789641198496073
Energy: 1.383988293699127
Energy: 1.3068490432517184
Energy: 1.3184423516292112
Energy: 1.535040886918737
Energy: 1.3776081022894526
Energy: 1.318973528350242
Energy: 1.443967253779463
Energy: 1.177428713668723
Energy: 1.177235941666145
Energy: 1.1775854304461637
Energy: 1.1771698096443353
Energy: 1.1771417359301057
Energy: 1.4974313415906562
Energy: 1.1775230496508622
Energy: 1.2103750961326076
Energy: 1.1864238708335302
Energy: 1.1853546363653873
Energy: 1.210090807440393
Energy: 1.186039585360783
Energy: 1.2115398429323228
Energy: 1.2097068518915115
Energy: 1.2493173206812964
Energy: 1.237388447420871
Energy: 1.2120964569662345
Energy: 1.3773414397767583
Energy: 1.2255776958950342
Energy: 1.211841922728386
Energy: 1.2668487039916834
Energy: 1.24329494833817
Energy: 1.212403126223385
Energy: 1.319171069096458
Energy: 1.2662433604707855
Energy: 1.2195558297593492
Energy: 1.2650061893286584
Energy: 1.2656557657674439
Energy: 1.2091193005081124
Energy: 1.4507777051148874
Energy: 1.2737182017502977
Energy: 1.802542762598799
Energy: 1.4038118752304316
Energy: 1.3222252610825511
Energy: 1.1946523674420249
Energy: 1.4035912837701723
Energy: 1.2811959697450053
Energy: 1.2500118470976034
Energy: 1.3720156957633047
Energy: 1.1956118232108712
Energy: 1.2771743102973367
Energy: 1.1947820329636218
Energy: 1.1966332643646975
Energy: 1.2697099193568309
Energy: 1.2458116906404735
Energy: 1.2464239194763855
Energy: 1.2698449743178155
Energy: 1.426023396951128
Energy: 1.2424419668302493
Energy: 1.3970614793594365
Energy: 1.2255420851929235
Energy: 1.2257322070616166
Energy: 1.3968054909657144
Energy: 1.2263131477824813
Energy: 1.352160624238185
Energy: 1.4030940404054544
Energy: 1.1950352606777506
Energy: 1.1950428024883308
Energy: 1.2828686047321727
Energy: 1.3295627268580439
Energy: 1.3530783724175448
Energy: 1.6177249281778852
Energy: 1.1964884486202936
Energy: 1.1959861565246017
Energy: 1.3591338335353784
Energy: 1.1958471961046235
Energy: 1.3555416478432951
Energy: 1.3430276895513278
Energy: 1.1944804455285427
Energy: 1.194487169242733
Energy: 1.3447156147013712
Energy: 1.201660528404302
Energy: 1.1951106884598284
Energy: 1.7195530202349278
Energy: 1.194794327591157
Energy: 1.196046144511266
Energy: 1.2435276155533062
Energy: 1.1942898373643858
Energy: 1.1963299074858875
Energy: 1.415884739136648
Energy: 1.1947360729709466
Energy: 1.1948348441609924
Energy: 1.3082351261357612
Energy: 1.194391188004689
Energy: 1.1945118413834355
Energy: 1.414774114099201
Energy: 1.353263529082121
Energy: 1.349245825153494
Energy: 1.4146949611399917
Energy: 1.237195888411035
Energy: 1.2907885724243335
Energy: 1.6008619086975167
Energy: 1.2805755233304315
Energy: 1.2804776193279355
Energy: 1.6003971904156642
Energy: 1.1843200206062574
Energy: 1.3494495805467353
Energy: 1.3038405277042748
Energy: 1.2497000051196605
Energy: 1.1948410989974363
Energy: 1.377967937701454
Energy: 1.3821349058897288
Energy: 1.1946413913046683
Energy: 1.8415872504123298
Energy: 1.257635112483342
Energy: 1.27202558434345
Energy: 1.8424585002211842
Energy: 1.2574552325826016
Energy: 1.2724236670123943
Energy: 1.2587823755781475
Energy: 1.266517448799377
Energy: 1.2397516909902115
Energy: 1.2709485189248269
Energy: 1.2599449891045498
Energy: 1.276222606720496
Energy: 1.2572889610435964
Energy: 1.2799815946165698
Energy: 1.232961418262644
Energy: 1.2599700920933883
Energy: 1.2752838657397292
Energy: 1.2342772034350828
Energy: 1.27055447434125
Energy: 1.2404430561142097
Energy: 1.2400046846656285
Energy: 1.2567669530733445
Energy: 1.2751938757543801
Energy: 1.2394918298517703
Energy: 1.2656050833033041
Energy: 1.1935062280652424
Energy: 1.193243339829262
Energy: 1.2667931632570077
Energy: 1.1946101095553199
Energy: 1.1932151497003742
Energy: 1.345797422777893
Energy: 1.1936007711940242
Energy: 1.1931672426153581
Energy: 1.3468139887961652
Energy: 1.1957411495039905
Energy: 1.193213933470123
Energy: 1.183547155057392
Energy: 1.27416984549935
Energy: 1.237606058361101
Energy: 1.3727833155322424
Energy: 1.4195248957741622
Energy: 1.3066514118911605

minimum gb energy = 1.17694150022989 eV
minimum distance =  2.29257697547341 Angstroms
sigma value = 81


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

Energy: 2.122248629798581
Energy: 1.336182230220981
Energy: 1.2105554937391902
Energy: 1.2103843265432557
Energy: 1.1867670852068557
Energy: 1.2751162887516936
Energy: 1.2328295053289653
Energy: 1.2610045906715006
Energy: 1.188731012210642
Energy: 1.254514611878762
Energy: 1.2561236996150522
Energy: 1.2852784071004448
Energy: 1.2678468635165645
Energy: 1.2470916638941005
Energy: 1.2059265354681075
Energy: 1.1874362877201192
Energy: 1.225026252027039
Energy: 1.2927576612264458
Energy: 1.2727419581326194
Energy: 1.20636093562992
Energy: 1.3120602276836204
Energy: 1.2711689010625205
Energy: 1.2253918490524418
Energy: 1.3041965165310503
Energy: 1.2734381389630143
Energy: 1.3053962796293062
Energy: 1.3272106451106382
Energy: 1.2713515617378377
Energy: 1.3476610549070696
Energy: 1.3452522371365379
Energy: 1.3716528076561134
Energy: 1.2878732123600187
Energy: 1.2864362182923954
Energy: 1.4194370268263707
Energy: 1.3308881894061146
Energy: 1.2648489375803789
Energy: 1.2729604195680633
Energy: 1.274792537105193
Energy: 1.3133190190349509
Energy: 1.2921321435327981
Energy: 1.2747027606064998
Energy: 1.3273164357711011
Energy: 1.6986845685714962
Energy: 1.682013797336695
Energy: 1.5361013050853634
Energy: 1.6988343490021531
Energy: 1.554026115326348
Energy: 1.3547139161569506
Energy: 1.2987299552778488
Energy: 1.2928718447576137
Energy: 1.3290556117716965
Energy: 1.3034507848143626
Energy: 1.2955060823527342
Energy: 1.3491875802102693
Energy: 1.3634410203789524
Energy: 1.1608592430688809
Energy: 1.1605867956932592
Energy: 1.3631516215343122
Energy: 1.1610189040164947
Energy: 1.1607269523647805
Energy: 1.2812871675815716
Energy: 1.1600072506721657
Energy: 1.1597210014383352
Energy: 1.287563370328158
Energy: 1.1597635917680513
Energy: 1.2547584837091936
Energy: 1.224705993292958
Energy: 1.4083639120046483
Energy: 1.2728822364436236
Energy: 1.2247093752683371
Energy: 1.2817715549583295
Energy: 1.274023641187938
Energy: 1.2261487612572144
Energy: 1.2749832591167913
Energy: 1.386531110588699
Energy: 1.2265521402126902
Energy: 1.274153231577422
Energy: 1.2488883463732585
Energy: 1.2802156772761617
Energy: 1.2737398885567812
Energy: 1.3358928640227152
Energy: 1.3002640777211896
Energy: 1.2756087926616466
Energy: 1.3333089240807139
Energy: 1.7500577753606499
Energy: 1.4137554984745957
Energy: 1.3758712974787726
Energy: 1.3168963496258468
Energy: 1.3347303142773643
Energy: 1.3289546374578733
Energy: 1.2799091381432035
Energy: 1.3342768081188154
Energy: 1.3320081837864912
Energy: 1.2805451859394104
Energy: 1.3014039568310194
Energy: 1.3340566701493648
Energy: 1.5265094819402274
Energy: 1.2086719326770745
Energy: 1.2835206520035751
Energy: 1.5266434171262915
Energy: 1.2686354891192015
Energy: 1.340844347166401
Energy: 1.2552933579726455
Energy: 1.3714882467076974
Energy: 1.3327386824430287
Energy: 1.2863711038799894
Energy: 1.31080499690224
Energy: 1.332678483731384
Energy: 1.1621294985341373
Energy: 1.334010659792912
Energy: 1.1598210412782202
Energy: 1.200651085720546
Energy: 1.408902988157448
Energy: 1.1596375227558522
Energy: 1.161603315766189
Energy: 1.3592289580294097
Energy: 1.159998015483811
Energy: 1.1606947696956635
Energy: 1.3159901593601324
Energy: 1.1598100243872276
Energy: 1.2560137982235418
Energy: 1.3675174900416744
Energy: 1.3536383920250132
Energy: 1.286332680948248
Energy: 1.3117909162310903
Energy: 1.331361161723855
Energy: 1.273962926177024
Energy: 1.2064180959272828
Energy: 1.2673665801200016
Energy: 1.274007713160564
Energy: 1.2256328429810839
Energy: 1.3670814648466336
Energy: 1.2729427257241586
Energy: 1.3330390979441726
Energy: 1.331085617600603
Energy: 1.2741129326257277
Energy: 1.3137559631474687
Energy: 1.2745029218988877
Energy: 1.2751748846122497
Energy: 1.3719047388066874
Energy: 1.3308188668031327
Energy: 1.276242531929213
Energy: 1.3334001325217315
Energy: 1.330089371637732
Energy: 1.274275046404141
Energy: 1.3172664347988614
Energy: 1.31248580516889
Energy: 1.4076691156635326
Energy: 1.2796559339446272
Energy: 1.3131700519963438
Energy: 1.6363118476958918
Energy: 1.5249946755249837
Energy: 1.2753425840383599
Energy: 1.2677392010361166
Energy: 1.5248987564862666
Energy: 1.316813587987624
Energy: 1.2328168227079725
Energy: 1.2971113909643068
Energy: 1.273705288602856
Energy: 1.2676081986981835
Energy: 1.2969361881312085
Energy: 1.3168751500987035
Energy: 1.2767683539258596
Energy: 1.1601057782243482
Energy: 1.3319414593707266
Energy: 1.3075681634513006
Energy: 1.1597877350192827
Energy: 1.255576185410858
Energy: 1.282030838184397
Energy: 1.1613984586019022
Energy: 1.1611491238819396
Energy: 1.2877051282846563
Energy: 1.1615230264344263
Energy: 1.161483031990003
Energy: 1.3025722093331296
Energy: 1.40092484310188
Energy: 1.3283299832234194
Energy: 1.303778186664891
Energy: 1.2945876078064023
Energy: 1.33798119400925
Energy: 1.2267343122601757
Energy: 1.4428873498783772
Energy: 1.2882348866274698
Energy: 1.2264401247058367
Energy: 1.4063426000573513
Energy: 1.2965780320339109
Energy: 1.2776545004486728
Energy: 1.2692904206391997
Energy: 1.2690931837945554
Energy: 1.2912003482538783
Energy: 1.2695736931501174
Energy: 1.2701334905009238
Energy: 1.2783596449471035
Energy: 1.3384357237276734
Energy: 1.3369821069290169
Energy: 1.3577599343620435
Energy: 1.2709875920846383
Energy: 1.3382189283763828
Energy: 1.277806638800768
Energy: 1.2684461078510822
Energy: 1.2798774044378116
Energy: 1.2762600560235364
Energy: 1.3396937988042024
Energy: 1.2683154092259175
Energy: 1.2778536243478678
Energy: 1.234910324834196
Energy: 1.3127984941327566
Energy: 1.2760548546135018
Energy: 1.2973955629333032
Energy: 1.2327483931097856
Energy: 1.5273175888831738
Energy: 1.2067160902087835
Energy: 1.2073214610562732
Energy: 1.4471179983939852
Energy: 1.268292293674943
Energy: 1.4477412515407146
Energy: 1.2704329207664342
Energy: 1.237108399960198
Energy: 1.1885744227214734
Energy: 1.263472590500428
Energy: 1.2555850921193263
Energy: 1.2309693771503927
Energy: 2.123447391915995
Energy: 1.2985962773411643
Energy: 1.2115163382689196
Energy: 1.162418886673244
Energy: 1.3292874280202756
Energy: 1.2764152240514608

minimum gb energy = 1.1596375227558522 eV
minimum distance =  2.34486326188341 Angstroms
sigma value = 43


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

Energy: 2.1533563541689213
Energy: 1.5691501648320734
Energy: 1.420056307790079
Energy: 1.2891716727898337
Energy: 1.5845155613584743
Energy: 1.2890641325178303
Energy: 1.2099908239432275
Energy: 1.2101770986296794
Energy: 1.3926013759056735
Energy: 1.3126061826431694
Energy: 1.3151215334773996
Energy: 1.3728390007818936
Energy: 1.2235744848793146
Energy: 1.2072512266809063
Energy: 1.2094421469344119
Energy: 1.2236716395950304
Energy: 1.2153286007965878
Energy: 1.226432474321156
Energy: 1.226972509488619
Energy: 1.2160799347382303
Energy: 1.2322401502941622
Energy: 1.2233247839762595
Energy: 1.387169810117184
Energy: 1.2236462909684451
Energy: 1.239616869871338
Energy: 1.250181301793215
Energy: 1.2984429586027912
Energy: 1.239837272619628
Energy: 1.2866828751195998
Energy: 1.298504438976365
Energy: 1.2495548347214296
Energy: 1.2866677523769645
Energy: 1.2990252733710497
Energy: 1.2559877537387967
Energy: 1.2239767314233154
Energy: 1.29806638915198
Energy: 1.2404250866685773
Energy: 1.2386618970833234
Energy: 1.2417668638866193
Energy: 1.240402964268258
Energy: 1.2424430453148079
Energy: 1.231941183976497
Energy: 1.4058346586574402
Energy: 1.224166086377749
Energy: 1.2234190553763964
Energy: 1.325303645735045
Energy: 1.2247535388649589
Energy: 1.3227224366693189
Energy: 1.3155129082321109
Energy: 1.2475879594452859
Energy: 1.247317811404344
Energy: 1.3151635518648503
Energy: 1.2485824565678576
Energy: 1.24794664226329
Energy: 1.4055318309849363
Energy: 1.31843769488552
Energy: 1.317563691730372
Energy: 1.4056782988014376
Energy: 1.3190703482125814
Energy: 1.3169736645566308
Energy: 1.2005265238198535
Energy: 1.2680707514127831
Energy: 1.324550885571022
Energy: 1.2006837831852795
Energy: 1.3898290480891557
Energy: 1.3013436318252902
Energy: 1.4180802076157002
Energy: 1.248817306878691
Energy: 1.2475587210247139
Energy: 1.197315751593231
Energy: 1.4223615343752742
Energy: 1.2477061428982439
Energy: 1.3387167928506825
Energy: 1.2315418589989267
Energy: 1.2468246088275727
Energy: 1.1998326609908703
Energy: 1.2979253403140878
Energy: 1.2467012153216668
Energy: 1.2003134308364314
Energy: 1.2335961425825526
Energy: 1.3715072198059735
Energy: 1.200590422689706
Energy: 1.3359823483119873
Energy: 1.3018615523227337
Energy: 1.2023100077689557
Energy: 1.2294991811350464
Energy: 1.226867055851923
Energy: 1.2013970601172295
Energy: 1.3052409608362563
Energy: 1.2268602320762458
Energy: 1.2035600412806235
Energy: 1.229164065929587
Energy: 1.2033901073508164
Energy: 1.203430310213882
Energy: 1.3559548807003636
Energy: 1.202419098362812
Energy: 1.2009737794666715
Energy: 1.206175947892665
Energy: 1.2078503835502714
Energy: 1.2011363519840925
Energy: 1.3690268101500533
Energy: 1.2037442502539677
Energy: 1.2007000729687447
Energy: 1.3293250632396567
Energy: 1.2106814245247486
Energy: 1.200756043990347
Energy: 1.408624257530775
Energy: 1.2106521232381926
Energy: 1.3147625038006836
Energy: 1.2031176357447986
Energy: 1.202783401871492
Energy: 1.411460819848339
Energy: 1.3056247102342846
Energy: 1.241910411537427
Energy: 1.3137460583905818
Energy: 1.205903191808691
Energy: 1.2028622457614635
Energy: 1.2497966889229457
Energy: 1.2001605575825913
Energy: 1.2250898116522877
Energy: 1.2006967850436834
Energy: 1.3122371361957623
Energy: 1.3281228615154768
Energy: 1.2005940057594022
Energy: 1.4193173164144361
Energy: 1.3283180508474801
Energy: 1.4732640127013887
Energy: 1.2455014462316885
Energy: 1.3374913615272679
Energy: 1.4734774735930354
Energy: 1.214995163466198
Energy: 1.4176330487074666
Energy: 1.4066828911211078
Energy: 1.2117951340005106
Energy: 1.3287310335820415
Energy: 1.4083152871184668
Energy: 1.3207357130601651
Energy: 1.3210238966198278
Energy: 1.3930729293517117
Energy: 1.4678120216343753
Energy: 1.2030339571439004
Energy: 1.4348775756410779
Energy: 1.2036234982540501
Energy: 1.2037189186320714
Energy: 1.4082416380871625
Energy: 1.1997023852835178
Energy: 1.2073245593011623
Energy: 1.408627390582867
Energy: 1.199752550839847
Energy: 1.2030879202936073
Energy: 1.3372701251744383
Energy: 1.2003517429719281
Energy: 1.2266773955031391
Energy: 1.3729881741181855
Energy: 1.2007604888928551
Energy: 1.233265311000797
Energy: 1.336988311526464
Energy: 1.203160308041993
Energy: 1.203343037508155
Energy: 1.3369291072568632
Energy: 1.2010712924894806
Energy: 1.2031675424590578
Energy: 1.2967144197477576
Energy: 1.3475980710856534
Energy: 1.2326000016638203
Energy: 1.2966905496100223
Energy: 1.3140642697909661
Energy: 1.2328227194960009
Energy: 1.3071360195099873
Energy: 1.2230321952539998
Energy: 1.2237811427948768
Energy: 1.3059473116138263
Energy: 1.3187847610218633
Energy: 1.224673814888056
Energy: 1.2241898450496598
Energy: 1.2102712180157433
Energy: 1.3701586530896284
Energy: 1.3121073471961007
Energy: 1.3148385622699528
Energy: 1.247193546252107
Energy: 2.1572834048610927
Energy: 1.437881508047362
Energy: 1.4421966365153263
Energy: 1.246342686890166
Energy: 1.4352056062589598
Energy: 1.3883856646089952

minimum gb energy = 1.197315751593231 eV
minimum distance =  2.26558242639458 Angstroms
sigma value = 57


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

Energy: 1.763408675576354
Energy: 1.4275106077545254
Energy: 1.3857143402917043
Energy: 1.6806255438596862
Energy: 1.2713255349473176
Energy: 1.4941099968793528
Energy: 1.2591237944465496
Energy: 1.2966458814080015
Energy: 1.2946220592706221
Energy: 1.2187132509351493
Energy: 1.4001867580054292
Energy: 1.2945070669934216
Energy: 1.7261286236354008
Energy: 1.2186124867311137
Energy: 1.2182065337701875
Energy: 1.5673896064312027
Energy: 1.2178306719008358
Energy: 1.2178017651125246
Energy: 1.3755324174941568
Energy: 1.217808338611829
Energy: 1.2177754722645358
Energy: 1.3781491914946065
Energy: 1.2180144698765085
Energy: 1.2093393510408794
Energy: 1.3749945005159587
Energy: 1.441335026246041
Energy: 1.3379564561135266
Energy: 1.3763334812834824
Energy: 1.3357823986852901
Energy: 1.3701289380768056
Energy: 1.2175813911992566
Energy: 1.3266130990321967
Energy: 1.3637371867555697
Energy: 1.376788303733212
Energy: 1.3755883589388245
Energy: 1.3711382421412024
Energy: 1.395471421436451
Energy: 1.373684222289684
Energy: 1.3731629959676068
Energy: 1.4344315762852329
Energy: 1.3759475601964404
Energy: 1.3744527308546362
Energy: 1.3072184953928514
Energy: 1.4748717317859568
Energy: 1.4448455603769839
Energy: 1.3070546219146584
Energy: 1.4269688230449498
Energy: 1.3854628733139436
Energy: 1.4076984372414731
Energy: 1.3873591851501639
Energy: 1.385478113325361
Energy: 1.4084193542379901
Energy: 1.3857231042490892
Energy: 1.427471984131428
Energy: 1.660998798511926
Energy: 1.308925784268196
Energy: 1.3081139483933228
Energy: 1.6620602681763206
Energy: 1.3087661056244257
Energy: 1.3081472138007342
Energy: 1.5085542849074896
Energy: 1.3074084817534777
Energy: 1.349520082888906
Energy: 1.3564751264098183
Energy: 1.3565369281054458
Energy: 1.345872725314741
Energy: 1.1487057712155795
Energy: 1.379969488367674
Energy: 1.380029867190073
Energy: 1.151145625936748
Energy: 1.5675745035124815
Energy: 1.3305845939882117
Energy: 1.1580922202774366
Energy: 1.381046379286808
Energy: 1.33131546291768
Energy: 1.3318844110794645
Energy: 1.3815150927543625
Energy: 1.3311370779730523
Energy: 1.5049715130235755
Energy: 1.455693972241434
Energy: 1.4489553351614661
Energy: 1.3578429664626233
Energy: 1.43111938616113
Energy: 1.349997530438292
Energy: 1.3739020302035398
Energy: 1.2187493380431418
Energy: 1.2766165368384073
Energy: 1.3736228385216531
Energy: 1.2182697036977892
Energy: 1.2768643605652361
Energy: 1.3732914098429512
Energy: 1.390605403526555
Energy: 1.395439783151468
Energy: 1.3744079732244203
Energy: 1.5647164023646103
Energy: 1.4005374498216916
Energy: 1.3946815978165532
Energy: 1.367353590833004
Energy: 1.3680699100139349
Energy: 1.3929531159096293
Energy: 1.4044022483528127
Energy: 1.3669769134090326
Energy: 1.3946087335912392
Energy: 1.3751024643534429
Energy: 1.380824760126764
Energy: 1.436226493326341
Energy: 1.3746066934279337
Energy: 1.3816942695824141
Energy: 1.4331195570357027
Energy: 1.3749778493719673
Energy: 1.4061687989457154
Energy: 1.4198428255333737
Energy: 1.374770520973852
Energy: 1.405751989854053
Energy: 1.3866030362567963
Energy: 1.3928476564245007
Energy: 1.3822438628580167
Energy: 1.3837950975104873
Energy: 1.5625694746191674
Energy: 1.4080445871497693
Energy: 1.3823446852826253
Energy: 1.418506569649569
Energy: 1.4875571455930625
Energy: 1.388974691790137
Energy: 1.4387191890777433
Energy: 1.2085893457682637
Energy: 1.4830854126509554
Energy: 1.308395762878487
Energy: 1.3635680410203932
Energy: 1.4085203168731617
Energy: 1.3094001288170496
Energy: 1.3636736369502274
Energy: 1.5689718064461065
Energy: 1.2963464603120676
Energy: 1.2964885764441654
Energy: 1.2160216060842526
Energy: 1.398509721218131
Energy: 1.2121035986861743
Energy: 1.2701485113104027
Energy: 1.302611062671093
Energy: 1.3312299878307674
Energy: 1.3327134597751233
Energy: 1.3028487199541694
Energy: 1.439033672441539

minimum gb energy = 1.1487057712155795 eV
minimum distance =  2.33395144243088 Angstroms
sigma value = 17


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

Energy: 1.875045026401179
Energy: 1.4057295552016706
Energy: 1.401386572176117
Energy: 1.17764284181308
Energy: 1.291639960749818
Energy: 1.1773714447785946
Energy: 1.1218390594078615
Energy: 1.2372966972744155
Energy: 1.2371829731217794
Energy: 1.2532889685320565
Energy: 1.238946383974312
Energy: 1.220576157979026
Energy: 1.5313439692551793
Energy: 1.1725272861704752
Energy: 1.1225417271574865
Energy: 1.5336890954733016
Energy: 1.1725420015225896
Energy: 1.1231232061833927
Energy: 1.2366093019585478
Energy: 1.1725787594253898
Energy: 1.1227151358933891
Energy: 1.2365357016908167
Energy: 1.0658684038122743
Energy: 1.236626796608336
Energy: 1.112321943099799
Energy: 1.1956836602388485
Energy: 1.2162837445346673
Energy: 1.1128249764485463
Energy: 1.1949634736400143
Energy: 1.216068093009067
Energy: 1.6322535427064035
Energy: 1.0956325502380093
Energy: 1.1846229560143418
Energy: 1.2277026659782175
Energy: 1.095361165317644
Energy: 1.2300876634406206
Energy: 1.1118812328337453
Energy: 1.0947103987983406
Energy: 1.0947933459473764
Energy: 1.112628177194055
Energy: 1.095746020539017
Energy: 1.1722865972134362
Energy: 1.3444502497698658
Energy: 1.2365873763180046
Energy: 1.2945091808007507
Energy: 1.236302085868508
Energy: 1.235981409025433
Energy: 1.253481522040947
Energy: 1.099290025547217
Energy: 1.2380933190501644
Energy: 1.2372192189782145
Energy: 1.0969480459273337
Energy: 1.1874517416070443
Energy: 1.0954339952168548
Energy: 1.0948211689257852
Energy: 1.1847500777568087
Energy: 1.1849422855930611
Energy: 1.0949146825389735
Energy: 1.2094328739094244
Energy: 1.1848970269976768
Energy: 1.2992899233288566
Energy: 1.2164245974620111
Energy: 1.2161190952853906
Energy: 1.3705352148296848
Energy: 1.2383935554645333
Energy: 1.1941079856738137
Energy: 1.2566472198852014
Energy: 1.2366778837522723
Energy: 1.2363358654868406
Energy: 1.256972801107387
Energy: 1.2367660837383756
Energy: 1.2364040380248316
Energy: 1.2358160605070065
Energy: 1.3667466825249204
Energy: 1.2376378076758807
Energy: 1.216984541916385
Energy: 1.3715450063763024
Energy: 1.2631945069145096
Energy: 1.2535498019132016
Energy: 1.2379078963078693
Energy: 1.2378851254181462
Energy: 1.253224347745357
Energy: 1.237456373052769
Energy: 1.237488070054457
Energy: 1.635333256454909
Energy: 1.237380986784037
Energy: 1.2363819018893303
Energy: 1.6346708444529752
Energy: 1.2364451039688933
Energy: 1.3657999394075901
Energy: 1.5386442455559013
Energy: 1.2810383665984482
Energy: 1.220469192639104
Energy: 1.5331634346842788
Energy: 1.2549286142633318
Energy: 1.2370586217503925
Energy: 1.2332567436034405
Energy: 1.2371029591655545
Energy: 1.349677497427463
Energy: 1.2327423866628535
Energy: 1.3691883078367404
Energy: 1.3499730134304162

minimum gb energy = 1.0658684038122743 eV
minimum distance =  2.30961857766815 Angstroms
sigma value = 17


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

Energy: 1.948630423657557
Energy: 1.3455223158997116
Energy: 1.137453523884886
Energy: 1.1372091365265546
Energy: 1.2481268484408827
Energy: 1.1371845895367405
Energy: 1.2639809388349537
Energy: 1.2019733171981324
Energy: 1.2160325517423825
Energy: 1.2011446664829053
Energy: 1.2044067439803228
Energy: 1.1336576047038747
Energy: 1.438469549786453
Energy: 1.135615613077415
Energy: 1.1241690077995279
Energy: 1.4399082589829153
Energy: 1.136463199700107
Energy: 1.0971185002220094
Energy: 1.2014871350063328
Energy: 1.1251734462295073
Energy: 1.097515850728062
Energy: 1.2020393043601223
Energy: 1.0109896257393276
Energy: 1.0967996531497899
Energy: 1.0685897827865591
Energy: 1.1412535168414033
Energy: 1.1346351154899912
Energy: 1.0693030312715892
Energy: 1.1398314459792112
Energy: 1.1353032967346934
Energy: 1.725684750437067
Energy: 1.0521444181707802
Energy: 1.0045547727186765
Energy: 1.1355374124135988
Energy: 1.0534424854146893
Energy: 1.0732941770628575
Energy: 1.4021132061581103
Energy: 1.0524480505075
Energy: 1.0522878517418133
Energy: 1.4024621554992205
Energy: 1.0558827276478435
Energy: 1.1029877364522678
Energy: 1.1693706932239456
Energy: 1.1089529556547861
Energy: 1.1207063006506621
Energy: 1.0867700110099572
Energy: 1.1094488216387535
Energy: 1.1704195931945625
Energy: 0.99229483394461
Energy: 1.1203055866389293
Energy: 1.064382594610376
Energy: 0.9938524803533195
Energy: 0.9914891235494772
Energy: 0.9921984616298121
Energy: 0.9921852745999428
Energy: 1.1143792520310551
Energy: 1.114255309651762
Energy: 0.9918541068720333
Energy: 1.1146298750388839
Energy: 1.1149307915252535
Energy: 0.9902974143285448
Energy: 0.9912695039603245
Energy: 1.1142483893405728
Energy: 1.114430613050788
Energy: 0.9918285625266634
Energy: 1.1143713650055764
Energy: 0.99613977102088
Energy: 0.9921656425051197
Energy: 0.9923525245152712
Energy: 0.9977387663713816
Energy: 0.9918799799242058
Energy: 1.064328062019092
Energy: 1.052065679859705
Energy: 1.1097387580728781
Energy: 1.068866314294296
Energy: 1.1241051289797157
Energy: 1.1194958869596714
Energy: 1.1244063404883016
Energy: 1.0531092235195252
Energy: 1.1410050233856444
Energy: 1.1408898816874784
Energy: 1.0533757435226143
Energy: 1.2208758828585267
Energy: 1.0523716471430409
Energy: 1.0533190320321784
Energy: 1.0639280013298955
Energy: 1.0640102476697326
Energy: 1.0530799345084263
Energy: 1.1232328486386254
Energy: 1.1205769087946196
Energy: 1.3588224591815623
Energy: 1.2020965068984395
Energy: 1.1335434510308284
Energy: 1.2816233300683526
Energy: 1.2014213260083129
Energy: 1.1213497674235529
Energy: 0.9927995911632111
Energy: 1.2017052207285555
Energy: 1.2017409276287814
Energy: 0.9933940012648725
Energy: 1.2014129632522592
Energy: 1.051181689173084
Energy: 1.072048575230897
Energy: 1.300578107851191
Energy: 1.2020166773885117
Energy: 1.0716290218174052
Energy: 1.301955262433844
Energy: 1.1211144251781997
Energy: 1.3431017005309633
Energy: 1.2013483585925029
Energy: 1.1519021485481806
Energy: 1.3440811653112046
Energy: 1.0704068353404812
Energy: 1.1216077640289208
Energy: 1.6154535048239143
Energy: 1.0515692244448336
Energy: 1.1499756821506526
Energy: 1.6155137188055613
Energy: 1.1276814233792132
Energy: 1.2236499121685147
Energy: 1.447166210811105
Energy: 1.2015936177077333
Energy: 1.2147660828492992
Energy: 1.3050305490038996
Energy: 1.2010252672772441
Energy: 1.2014473501860279
Energy: 1.0048262354865038
Energy: 1.303072245509734
Energy: 1.3024131639670284
Energy: 1.1260681528997323
Energy: 1.3069791979383492
Energy: 1.0966039658031377
Energy: 1.0101856279304493
Energy: 1.2020368237588197
Energy: 1.2023752138081367
Energy: 1.0114801637528101
Energy: 1.203425380025996
Energy: 1.3017767734116175
Energy: 1.4395117757482394
Energy: 1.1607731581790102
Energy: 1.2151671475624681
Energy: 1.4394684465889487
Energy: 1.005066584200398
Energy: 1.2006017637350697
Energy: 1.2018590496455275
Energy: 1.1348561817096343
Energy: 1.1109173822558729
Energy: 1.2020339608932191
Energy: 1.1359592054052088
Energy: 1.0966172482323624
Energy: 1.2060396590177256
Energy: 1.1362016375342268
Energy: 1.1382720128440074
Energy: 1.2064723596065876
Energy: 1.1407011922817032
Energy: 1.1371785909126704
Energy: 1.0968549125954195
Energy: 1.051963658532499
Energy: 1.0521048829947663
Energy: 1.1329946623439948
Energy: 1.1966930871957793
Energy: 1.0733947730071707
Energy: 0.97588256205366
Energy: 1.052162743847272
Energy: 1.052589530306052
Energy: 0.9757680512705776
Energy: 1.0537310400927993
Energy: 1.0525880986368605
Energy: 1.4099204724781373
Energy: 1.1311311254947942
Energy: 1.1309137721024811
Energy: 1.0680082815979404
Energy: 1.0520902704981097
Energy: 1.132065970692764
Energy: 0.9922703067935013
Energy: 1.1088088896190316
Energy: 1.1204194341148475
Energy: 0.9924331938196082
Energy: 1.1092998237242881
Energy: 1.1291651960411728
Energy: 0.9986985224740822
Energy: 1.1192858699716015
Energy: 1.1184861779399786
Energy: 0.9925407508242392
Energy: 1.1157499501651564
Energy: 1.0631874577611102
Energy: 1.496768080945806
Energy: 1.1149440462468778
Energy: 1.1206474618825335
Energy: 1.161864974677995
Energy: 1.124181189033754
Energy: 1.120515242997047
Energy: 1.0073012462155935
Energy: 0.992209650182689
Energy: 0.991918960503056
Energy: 1.007734893538439
Energy: 0.9930763025903626
Energy: 0.9921240358952705
Energy: 1.641306783399628
Energy: 1.0649486229612175
Energy: 1.1222392266696424
Energy: 1.1231917274149763
Energy: 0.9913408998054586
Energy: 1.1422449467147577
Energy: 1.0524349194387306
Energy: 1.1497810125865355
Energy: 1.1486809146679962
Energy: 1.0522787207131519
Energy: 1.152930288936299
Energy: 1.1430797114247275
Energy: 1.0527513324406177
Energy: 1.1246086020539303
Energy: 1.1201094202539736
Energy: 1.0527041248108715
Energy: 1.1237764167352684
Energy: 1.0523504033261426
Energy: 1.3773221473226998
Energy: 1.1325971475377918
Energy: 1.133223496483343
Energy: 1.197435783878455
Energy: 1.0717661035369879
Energy: 1.1199566640196186
Energy: 0.9949330603843904
Energy: 1.2015761836033034
Energy: 1.2014223284813244
Energy: 1.0513426603203864
Energy: 1.2025986966595872
Energy: 1.2013982925735913
Energy: 1.2051632120243327
Energy: 1.299746273543706
Energy: 1.0501573505793533
Energy: 1.1370260510713848
Energy: 1.436851664138367
Energy: 1.050619755736275
Energy: 1.340191815307613
Energy: 1.2020140266358756
Energy: 1.201779779121199
Energy: 1.2028383923315797
Energy: 1.202654287783819
Energy: 1.1608223865828458
Energy: 1.3452453584178772
Energy: 1.121193149067065
Energy: 1.216253232088858
Energy: 1.3419450705793208
Energy: 1.1207341213943953
Energy: 1.1999734076336739
Energy: 1.4390124929385781
Energy: 1.1486603665802266
Energy: 1.2142416646046816
Energy: 1.4406744220829188
Energy: 1.083954059904905
Energy: 1.2012073324820307
Energy: 1.230327092274838
Energy: 1.2020350730738998
Energy: 1.215832379587697
Energy: 1.2312293880317036
Energy: 1.3028905958558776
Energy: 1.3013729481303182

minimum gb energy = 0.9757680512705776 eV
minimum distance =  2.29275936352155 Angstroms
sigma value = 57


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

Energy: 1.765428888355846
Energy: 1.2745224182446657
Energy: 1.1005884593459163
Energy: 1.103527906942845
Energy: 1.6725279709578944
Energy: 1.0979671838087053
Energy: 1.2931591444926296
Energy: 1.1636764937189956
Energy: 1.1703792039867975
Energy: 1.1517103124100978
Energy: 1.158318246818952
Energy: 1.0714918837566387
Energy: 1.349097356779447
Energy: 1.0673724099957635
Energy: 1.0717697922180802
Energy: 1.3511712240175253
Energy: 1.0643257548023703
Energy: 1.074751216446378
Energy: 1.1584825063812727
Energy: 1.0651769308992454
Energy: 1.069623080416849
Energy: 1.1581771483503067
Energy: 1.2782655388108557
Energy: 1.0597908669545302
Energy: 1.1855322930100178
Energy: 1.0667890375317062
Energy: 1.0721700135928294
Energy: 1.1716514665410238
Energy: 1.0890442703610517
Energy: 1.0623774415344847
Energy: 1.605638954411011
Energy: 1.0153170586882818
Energy: 0.9659180652593384
Energy: 1.0290281085355504
Energy: 1.0153146521028318
Energy: 1.065752098551382
Energy: 1.3119226227931455
Energy: 1.0204858155083705
Energy: 1.0147929257632826
Energy: 1.3135931118188744
Energy: 1.021328339749709
Energy: 1.0616231233149438
Energy: 1.2454577588135105
Energy: 1.024842775922978
Energy: 1.0419180978345848
Energy: 1.2459555965958236
Energy: 1.0247906112078866
Energy: 1.0602611876323675
Energy: 0.9448282311756385
Energy: 1.0454039746796062
Energy: 0.9420795314868956
Energy: 0.946753034340987
Energy: 1.0836886006993376
Energy: 0.9423062082049922
Energy: 0.942645174617518
Energy: 1.073166940138427
Energy: 1.0448685902656698
Energy: 0.9425178985755357
Energy: 1.1046438340147502
Energy: 1.0413614383845102
Energy: 0.9153870386365316
Energy: 0.9095746811432928
Energy: 1.0353555083922097
Energy: 1.0124091203922612
Energy: 0.9089453445930434
Energy: 1.0378487205588298
Energy: 0.9481526612223733
Energy: 0.9087787893553219
Energy: 0.9088147023480848
Energy: 0.9492199466814113
Energy: 0.9147258505440041
Energy: 1.0197968019066912
Energy: 0.9154544640755621
Energy: 1.0908845617926763
Energy: 1.0520435707947375
Energy: 0.9157849722718883
Energy: 1.0544818095752424
Energy: 1.0516807914673196
Energy: 0.9097271226125111
Energy: 1.0208486701430939
Energy: 0.9085983415895944
Energy: 0.912395514925277
Energy: 1.2491705900418808
Energy: 0.9085580573204173
Energy: 0.9101155153000785
Energy: 1.0499490133907605
Energy: 1.0198384130034512
Energy: 0.9101479178660804
Energy: 1.0201763433849724
Energy: 1.0197736559250494
Energy: 1.0983433469455086
Energy: 0.942406064412835
Energy: 1.0415090035211843
Energy: 1.0438146877058747
Energy: 0.9427090602351437
Energy: 1.0398447035674827
Energy: 0.9632178287160329
Energy: 0.9424620959103884
Energy: 0.9423764232749878
Energy: 0.9640517314387432
Energy: 0.9507880170667908
Energy: 1.0019214933152272
Energy: 0.9116446582233677
Energy: 1.007923150261835
Energy: 1.0504427093023947
Energy: 0.9131471369548128
Energy: 1.0414078585608708
Energy: 1.0552048853174443
Energy: 1.0148832906775591
Energy: 1.0756625203654144
Energy: 1.0145976701766715
Energy: 1.0161786748372053
Energy: 1.3191156654328084
Energy: 1.0147052522956914
Energy: 1.2811917401164035
Energy: 1.0487903738048734
Energy: 1.1058590507601538
Energy: 1.281778513840413
Energy: 1.0483389758070503
Energy: 1.0755903289295459
Energy: 1.3241062378319026
Energy: 1.2013726721339542
Energy: 1.0689900048948253
Energy: 1.0888753578969803
Energy: 1.2070699747778102
Energy: 1.0702546911824062
Energy: 1.0040153759092492
Energy: 1.151836937995031
Energy: 1.0147313662513562
Energy: 1.0494311129637628
Energy: 1.1514007739548593
Energy: 1.066787299836201
Energy: 1.133403708193055
Energy: 1.152130815407123
Energy: 1.164312917237225
Energy: 1.133238351883273
Energy: 1.237110588508795
Energy: 1.1622840277071005
Energy: 1.2718943480543081
Energy: 1.0659383190453458
Energy: 1.0716172591253985
Energy: 1.2735942903898345
Energy: 1.1568845340864
Energy: 1.0711632601817707
Energy: 1.35431943055497
Energy: 1.0728267172477095
Energy: 1.0144987048447445
Energy: 1.3549455372951307
Energy: 1.0787899701598593
Energy: 1.1516470342228304
Energy: 1.3488714455736028
Energy: 1.1521435861061409
Energy: 1.1602937089001109
Energy: 1.1598427271120126
Energy: 1.1592302694548715
Energy: 1.151832210430329
Energy: 1.0618910252669942
Energy: 1.233399198246986
Energy: 1.0609529358812149
Energy: 1.0685359918279973
Energy: 1.3557813417011848
Energy: 1.060561277673486

minimum gb energy = 0.9085580573204173 eV
minimum distance =  2.29172128398262 Angstroms
sigma value = 43


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

Energy: 1.64724130609691
Energy: 1.1326808181125867
Energy: 0.993937741333914
Energy: 0.8738569531493291
Energy: 1.0643733864165705
Energy: 1.0063629377885128
Energy: 1.1213929215489662
Energy: 0.9385933023922056
Energy: 0.9350061734150887
Energy: 1.0164198169977152
Energy: 1.0203313560180611
Energy: 0.9138256084512757
Energy: 1.1703400949582117
Energy: 0.8969023620998694
Energy: 0.9321456680900244
Energy: 1.1725983248571892
Energy: 0.8957856610073619
Energy: 0.9260530559628496
Energy: 1.0197743383470357
Energy: 0.9222893751490112
Energy: 0.8989439138526466
Energy: 1.0198066113236097
Energy: 0.9782430198872157
Energy: 0.9471027300666895
Energy: 1.0279368417605228
Energy: 0.9089216585884299
Energy: 0.9354804881724217
Energy: 1.0276804890701603
Energy: 0.912761850534564
Energy: 0.9154579202756219
Energy: 0.82062723928238
Energy: 0.9082696453522885
Energy: 0.8962084479477009
Energy: 0.873752467460367
Energy: 0.9083202502691995
Energy: 0.8553401667278414
Energy: 1.136131987514723
Energy: 0.9085922374273366
Energy: 0.9086648291481089
Energy: 1.0133088045531005
Energy: 0.9089064201032241
Energy: 1.082247003298494
Energy: 1.0799768572028245
Energy: 0.861419533110188
Energy: 0.8822842021744087
Energy: 1.0827506653278693
Energy: 0.8615680410146688
Energy: 0.8817101916220803
Energy: 0.8463276788591864
Energy: 0.8812302761601899
Energy: 0.8437486577705353
Energy: 0.8485076712074465
Energy: 1.0768826399594604
Energy: 0.8440682006946898
Energy: 0.8440556323728131
Energy: 0.9036878399439321
Energy: 0.8992865896184739
Energy: 0.8440972493861616
Energy: 0.9002668764741792
Energy: 0.8993292543050879
Energy: 0.7858090528767654
Energy: 0.8023178218014644
Energy: 0.8705396676777448
Energy: 0.8580679640559651
Energy: 0.8025473220744095
Energy: 0.8599015584232759
Energy: 1.0692455055177907
Energy: 0.8024484703534979
Energy: 0.8023668209958239
Energy: 1.0715381616097936
Energy: 0.8023367044090024
Energy: 0.882151725254425
Energy: 1.04752222451813
Energy: 0.8496508598278438
Energy: 0.8778488946837466
Energy: 1.0500150398541386
Energy: 0.8497389700520573
Energy: 0.8557183383396595
Energy: 0.7776690682852185
Energy: 1.0571280867223618
Energy: 0.7776406166065649
Energy: 0.7798421984539131
Energy: 1.0579913705246355
Energy: 0.7775685381436814
Energy: 0.7775554868135103
Energy: 0.8518035459576686
Energy: 0.8623494744144776
Energy: 0.7774695618896815
Energy: 0.8502724347527985
Energy: 0.8580430155977078
Energy: 0.9085554003796035
Energy: 0.7661750549971862
Energy: 0.7655898894210146
Energy: 0.8493818725044774
Energy: 0.7662465283764123
Energy: 0.8515845081849615
Energy: 0.9171412489827405
Energy: 0.7660162181435708
Energy: 0.766431160084236
Energy: 1.0520461460082482
Energy: 0.7661068870151522
Energy: 0.8574723188676664
Energy: 1.039781070968595
Energy: 0.8770319876432454
Energy: 0.8765749480411198
Energy: 1.0346951321316742
Energy: 0.8958263087468966
Energy: 0.876122088698865
Energy: 0.7660082993540185
Energy: 1.0510484159488447
Energy: 0.7659796882387921
Energy: 0.7680778935375809
Energy: 1.0558701104830575
Energy: 0.7660372102714762
Energy: 1.0395856752472654
Energy: 0.9087405144092298
Energy: 0.9079756368872707
Energy: 1.0421172338590856
Energy: 0.9090430511658694
Energy: 0.9074352453069305
Energy: 1.0620504700845335
Energy: 0.777641760807776
Energy: 0.7775417979030506
Energy: 1.0577051508562292
Energy: 0.7775174339158725
Energy: 0.866456328784566
Energy: 0.7683645839159148
Energy: 0.7777748563003777
Energy: 0.7774373112537568
Energy: 0.8567369331541086
Energy: 0.7780676004129469
Energy: 0.8551464623460752
Energy: 0.8021123265628873
Energy: 0.8556910263935796
Energy: 0.8559152234588576
Energy: 0.8021904028446784
Energy: 0.8562796010003183
Energy: 0.8561210178454423
Energy: 0.802388112581353
Energy: 1.0692771105868353
Energy: 0.8023712083088483
Energy: 0.8047956411448594
Energy: 1.069690345657089
Energy: 0.8025688614581524
Energy: 1.0596819808059836
Energy: 0.855703824539684
Energy: 0.8712307076309294
Energy: 1.0622144474963349
Energy: 0.8557542094543588
Energy: 0.8711857776921513
Energy: 1.0923318373658613
Energy: 0.8439531960257716
Energy: 0.8439047659919338
Energy: 1.0948584023490435
Energy: 0.8440662655466078
Energy: 0.9010717399506218
Energy: 0.8030979801155268
Energy: 0.8436403677755642
Energy: 0.8800034192573184
Energy: 0.8649653811797542
Energy: 0.843463960069705
Energy: 0.871731893161435
Energy: 0.9621559929199779
Energy: 0.8791961937403134
Energy: 0.9163279467071753
Energy: 0.9884350828224581
Energy: 0.913609912024286
Energy: 0.9160319555582803
Energy: 0.9112792096096601
Energy: 0.9019077363574324
Energy: 0.9084177917478599
Energy: 0.9132293578668874
Energy: 1.0923998305030374
Energy: 0.9087372109971912
Energy: 1.1153087753917963
Energy: 0.8840633873921528
Energy: 0.9017687077751322
Energy: 1.1180479462527606
Energy: 0.8832690799816515
Energy: 0.9011692025326997
Energy: 1.138098182727322
Energy: 0.9386170468284306
Energy: 0.9356824775388075
Energy: 0.9352307982869236
Energy: 1.0551057819726584
Energy: 1.1414215851186555
Energy: 0.8477617074938573
Energy: 1.0163129848521726
Energy: 0.9086076183420164
Energy: 0.889526689781624
Energy: 1.0159779949583243
Energy: 0.8820043967911234
Energy: 1.0503332834918924
Energy: 1.016750791458135
Energy: 1.0160097085928135
Energy: 1.0504208377970639
Energy: 1.076451223167218
Energy: 1.000871020712312
Energy: 1.1417556285652521
Energy: 0.9334839773094858
Energy: 0.9014784230878586
Energy: 1.1085584527604313
Energy: 1.0271265059359342
Energy: 1.0163380781804565
Energy: 1.1657843099854843
Energy: 0.9195731305628946
Energy: 0.9439775885175503
Energy: 1.167963898024085
Energy: 0.9148933737585515
Energy: 0.9439481437851597
Energy: 1.1630636894784354
Energy: 1.0167105091061357
Energy: 1.0163305229220356
Energy: 1.0162363436314248
Energy: 1.0752936696572075
Energy: 1.0007256558727295

minimum gb energy = 0.7655898894210146 eV
minimum distance =  2.2815326944286 Angstroms
sigma value = 81


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

Energy: 0.3452225694520785
Energy: 0.1384542117172351
Energy: 0.08219260552526853
Energy: 0.08436969078289815
Energy: 0.6618121521693904
Energy: 0.34588168372049233
Energy: 0.40327459614782735
Energy: 0.6058179087635687
Energy: 0.6057728094031564
Energy: 0.8517886160119791
Energy: 0.6060934643375615
Energy: 0.7374625451660434
Energy: 0.6591411610263812
Energy: 0.08217183924932316
Energy: 0.08225194449830948
Energy: 0.6863184403438055
Energy: 0.08200635463130874
Energy: 0.08180951519252452
Energy: 0.6233210333311203
Energy: 0.08219774127880537
Energy: 0.08236495257370045
Energy: 0.6156283527589717
Energy: 0.08222766537180451
Energy: 0.1396702231147773
Energy: 0.13871649256049529
Energy: 0.6684024307839876
Energy: 0.6677668230659498
Energy: 0.14047044070835804
Energy: 0.6677138841965646
Energy: 0.6594212006232685
Energy: 0.0830643194997213
Energy: 0.6054174181125561
Energy: 0.08229782995746913
Energy: 0.0817652277824784
Energy: 0.6052027319626795
Energy: 0.08212675979886006
Energy: 0.6150450057759637
Energy: 0.6132730320219144
Energy: 0.613259325028874
Energy: 0.6689858737697284
Energy: 0.6131269275424998
Energy: 0.7184920197593736
Energy: 0.6778851667555001
Energy: 0.08207503701528274
Energy: 0.08219722996411621
Energy: 0.6709438309069052
Energy: 0.08203693984301068
Energy: 0.08218018165096232
Energy: 0.6066725517025877
Energy: 0.0822309294484721
Energy: 0.13849597115808088
Energy: 0.6357163962593265
Energy: 0.08226965093698459
Energy: 0.13800352000215155
Energy: 0.3458844495463251
Energy: 0.6602244024275208
Energy: 0.6614447165434092
Energy: 0.082059962996684
Energy: 0.6612185411930477
Energy: 0.6602869817945516

minimum gb energy = 0.0817652277824784 eV
minimum distance =  2.44226381584918 Angstroms
sigma value = 3


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

Energy: 1.0343062145682953
Energy: 1.0438809452808375
Energy: 1.060566546703443
Energy: 1.0348419817299166
Energy: 1.0109161810810359
Energy: 1.0359548847198576
Energy: 1.0242976365393621
Energy: 1.0217477636626695
Energy: 1.020441809744634
Energy: 1.0562004814268655
Energy: 1.0259768238200293
Energy: 1.0199316529262041
Energy: 1.0168798372166985
Energy: 0.9885678948153657
Energy: 0.9885207266603926
Energy: 1.01662219299375
Energy: 0.9887969195189636
Energy: 1.0136016785441553
Energy: 0.9530060414084125
Energy: 0.9885305057751721
Energy: 0.9882388023988726
Energy: 0.953229738830036
Energy: 0.8611427666271035
Energy: 1.0136852857717171
Energy: 0.8788073153103031
Energy: 1.014264632282331
Energy: 1.0205456555327717
Energy: 0.878774429242944
Energy: 1.0258552620109131
Energy: 1.0199992427152986
Energy: 1.0003145496976378
Energy: 1.019750491698155
Energy: 1.018155533512539
Energy: 0.9722861738725281
Energy: 1.0200216318195414
Energy: 0.9717664375490044
Energy: 0.989358371036921
Energy: 0.8856987520499839
Energy: 0.9649712597275093
Energy: 0.9895268837402448
Energy: 0.8897076433301394
Energy: 0.9619959328583418
Energy: 0.9613737982435128
Energy: 0.9781178283051255
Energy: 0.9778142974557755
Energy: 0.962150683036002
Energy: 0.9452466481590195
Energy: 0.9200176380203848
Energy: 0.9827281362362741
Energy: 0.9782629552159786
Energy: 0.9994526538380084
Energy: 1.003853337304011
Energy: 0.8269386616078347
Energy: 0.9994528789487799
Energy: 0.8309935958674013
Energy: 0.8873248631392479
Energy: 0.8870229136684721
Energy: 0.8310825653755677
Energy: 0.8907494622909362
Energy: 0.8862244350152962
Energy: 0.9777258023911487
Energy: 0.9853134567140331
Energy: 0.985383404949599
Energy: 0.9508221761468003
Energy: 0.9561807712486433
Energy: 0.9499224197546325
Energy: 0.8330550213553374
Energy: 0.9883541186403404
Energy: 0.9858662527703517
Energy: 0.8307980035866377
Energy: 0.9707103079216222
Energy: 0.8301687027120714
Energy: 0.8257071234792972
Energy: 0.9321696599402655
Energy: 0.9529760613759002
Energy: 0.8261245849414719
Energy: 0.9319985193867569
Energy: 0.8263033452109358
Energy: 0.9440630680713523
Energy: 0.7981197779695368
Energy: 0.9555587585764735
Energy: 0.9598931882576657
Energy: 0.7966797684349576
Energy: 0.9588722129235857
Energy: 0.9677033378211078
Energy: 0.788835687290848
Energy: 0.7892404991556895
Energy: 0.9683510054648161
Energy: 0.7887367928414437
Energy: 0.7890975538654045
Energy: 0.9660739239489082
Energy: 0.9354317492462504
Energy: 0.9395026002657778
Energy: 0.933905913231256
Energy: 0.9439084735870572
Energy: 0.9347842588151165
Energy: 0.7832983331009225
Energy: 0.93523582200133
Energy: 0.9352705434802284
Energy: 0.7797227680076121
Energy: 0.9351382967539629
Energy: 0.7778291547969285
Energy: 0.7828131116220246
Energy: 0.9304978451106978
Energy: 0.9292308565160857
Energy: 0.782791578565244
Energy: 0.9311468490505963
Energy: 0.7705304987120377
Energy: 0.9652664289953772
Energy: 0.9357863095463752
Energy: 0.9456548618299992
Energy: 0.931421116822286
Energy: 0.9559295565062659
Energy: 0.9454426176520638
Energy: 0.9570518250628182
Energy: 0.7740964693932271
Energy: 0.7736935524775322
Energy: 0.9494844121037462
Energy: 0.7815367351324157
Energy: 0.7743394038676197
Energy: 0.9400940433541426
Energy: 0.9347215571058606
Energy: 0.9367226093674266
Energy: 0.9419163822443666
Energy: 0.9664330431843687
Energy: 0.9359042378470579
Energy: 0.805635337745807
Energy: 0.9341105361803063
Energy: 0.8620878093031284
Energy: 0.8062633065192921
Energy: 0.9624559865815586
Energy: 0.7888826032394162
Energy: 0.7969287171190426
Energy: 0.9595693437942688
Energy: 0.9605118162072573
Energy: 0.7969085940010671
Energy: 0.9565085879652028
Energy: 0.9574733399276047
Energy: 0.9772659429665534
Energy: 0.8269262009445101
Energy: 0.8263238777103442
Energy: 0.9399718524558585
Energy: 0.8266713397254063
Energy: 0.9379847969844405
Energy: 0.8778619419767448
Energy: 0.8305784160742482
Energy: 0.8304294448796364
Energy: 0.8782719657529344
Energy: 0.8335461351983676
Energy: 0.830502993345635
Energy: 0.9554022894478166
Energy: 0.9635959388206609
Energy: 0.9632403113329039
Energy: 0.9554143374498081
Energy: 0.9353284810963107
Energy: 0.9848101565432963
Energy: 0.8897447555424192
Energy: 0.9631699929726852
Energy: 0.9632814362672162
Energy: 0.8893801181872639
Energy: 0.8877587751732031
Energy: 0.8889063665461595
Energy: 0.8502451343782728
Energy: 1.0019508031589937
Energy: 0.9994247805500924
Energy: 0.8502473296870275
Energy: 1.0076969451891202
Energy: 0.9987797595891315
Energy: 0.9606946291093923
Energy: 0.953902025571183
Energy: 0.9599946460245486
Energy: 0.9596123181416841
Energy: 0.9509738045490359
Energy: 0.9593090145673555
Energy: 0.8875225104697478
Energy: 0.958567444522792
Energy: 0.9579993908912864
Energy: 0.8849332062020986
Energy: 0.9640415798239678
Energy: 1.0355754447449588
Energy: 0.9608423373460356
Energy: 0.990464220050171
Energy: 0.9901706835571814
Energy: 0.961098250441715
Energy: 0.9513187477037611
Energy: 0.9900558328583132
Energy: 1.0538356595891418
Energy: 0.9904539441869163
Energy: 0.9960638282827401
Energy: 1.0227199859528628
Energy: 0.8450475275550536
Energy: 1.0192467434360668
Energy: 0.9047158511779891
Energy: 0.9504780226226618
Energy: 0.9501841319009552
Energy: 0.9050063548610523
Energy: 0.9513478231591396
Energy: 0.9759865040460458

minimum gb energy = 0.7705304987120377 eV
minimum distance =  2.29530531146809 Angstroms
sigma value = 67


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

Energy: 1.2790110015312612
Energy: 1.263075635192802
Energy: 1.2775465999140083
Energy: 1.202728443298636
Energy: 1.2543826866003027
Energy: 1.287709426877317
Energy: 1.165503939652612
Energy: 1.1997526875625635
Energy: 1.1985144756013837
Energy: 1.2451521205106049
Energy: 1.2032950221464425
Energy: 1.226188950690302
Energy: 1.2808553984115025
Energy: 1.1700939766935488
Energy: 1.1936996355618734
Energy: 1.1985684674334587
Energy: 1.171150762063539
Energy: 1.1941879899356824
Energy: 1.1560013588652922
Energy: 1.1928459071164963
Energy: 1.1926579775302417
Energy: 1.1569499978826574
Energy: 1.100275614524509
Energy: 1.1932076508162224
Energy: 1.109725877298055
Energy: 1.1991704402617314
Energy: 1.2265912142775024
Energy: 1.1096648056430056
Energy: 1.2029743241400213
Energy: 1.224876237557033
Energy: 1.237058642447209
Energy: 1.1985757789115905
Energy: 1.1740928347080604
Energy: 1.1723722130391916
Energy: 1.1986419380735065
Energy: 1.172620590890856
Energy: 1.1111319511726951
Energy: 1.1444109883362843
Energy: 1.1116695011642963
Energy: 1.1111940296912661
Energy: 1.1165055172070641
Energy: 1.1369986290457599
Energy: 1.1596733617356136
Energy: 1.1643399427521375
Energy: 1.1694323010499794
Energy: 1.1604793213059827
Energy: 1.1640217518110196
Energy: 1.1093641747336813
Energy: 1.1538319608604681
Energy: 1.1973102771012862
Energy: 1.1960377286314041
Energy: 1.1992179805988077
Energy: 1.0148486464598532
Energy: 1.2040047879528597
Energy: 0.9705053272595379
Energy: 1.0235291430591928
Energy: 1.0224564937308078
Energy: 0.9708147554690099
Energy: 1.0234503324760538
Energy: 1.0156873628935001
Energy: 1.082849321796277
Energy: 1.1583441247756663
Energy: 1.1800972273432286
Energy: 1.1666664497347388
Energy: 1.1463397804485866
Energy: 1.1706288524322563
Energy: 0.9716161820301078
Energy: 1.1578996430431272
Energy: 1.155156461184037
Energy: 0.971128744491238
Energy: 1.1575473095970183
Energy: 0.9709814952893071
Energy: 0.9780284810656625
Energy: 1.1525584459418556
Energy: 1.1504229604966703
Energy: 0.9769075077951963
Energy: 1.1501364246488528
Energy: 0.9755979357257492
Energy: 1.1528515411229003
Energy: 1.088636771127717
Energy: 1.1503825427671193
Energy: 1.148941956992722
Energy: 1.170840816755869
Energy: 1.1497275523325452
Energy: 1.1556168782583502
Energy: 0.9830188236427955
Energy: 0.9773772187459965
Energy: 1.1569283347509276
Energy: 0.9795232326413764
Energy: 0.9731601192319456
Energy: 1.1371834331884556
Energy: 1.1553850453349703
Energy: 1.1618408002512766
Energy: 1.1623891324121036
Energy: 1.0807641709753137
Energy: 1.158174427791272
Energy: 1.0374489055291989
Energy: 1.158142370669074
Energy: 1.1538413503856695
Energy: 1.0387247712817747
Energy: 1.1507650753553715
Energy: 1.0213651613192485
Energy: 1.0159628625469872
Energy: 1.1960313350576621
Energy: 1.198343722052961
Energy: 1.0160032167577138
Energy: 1.169028774209167
Energy: 1.122732202526576
Energy: 1.195011775310204
Energy: 1.1573354531067166
Energy: 1.1649423514644808
Energy: 1.1773592554969932
Energy: 1.1558917602794563
Energy: 1.173820284490446
Energy: 1.014661790671288
Energy: 1.1189284891154685
Energy: 1.1383245378302642
Energy: 1.115006560218356
Energy: 1.1140744223228631
Energy: 1.1373820694500372
Energy: 1.1182563643277867
Energy: 1.22291673746188
Energy: 1.2219973001617452
Energy: 1.1183206022484409
Energy: 0.9816693618486309
Energy: 1.1672846681858213
Energy: 1.280940855698916
Energy: 1.166975253876609
Energy: 1.1686048903777762
Energy: 1.1979017081493768
Energy: 1.169985462176891
Energy: 1.171337388401591
Energy: 1.165741093951845
Energy: 1.1165745793984743
Energy: 1.1988732685829375
Energy: 1.1657314728807675
Energy: 1.1152163559012518
Energy: 1.2257486865152134

minimum gb energy = 0.9705053272595379 eV
minimum distance =  2.289236539899 Angstroms
sigma value = 33


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

Energy: 1.8690307745919787
Energy: 1.4012847491320055
Energy: 1.3997200182169762
Energy: 1.394360211192376
Energy: 1.4938061942842564
Energy: 1.3973390811297415
Energy: 1.2641354856274873
Energy: 1.3093670167042726
Energy: 1.3092274070055991
Energy: 1.3751371629894333
Energy: 1.3141441091891841
Energy: 1.3439511651652054
Energy: 1.3928185580540262
Energy: 1.33945532401619
Energy: 1.3392608779710098
Energy: 1.393291333814242
Energy: 1.340538219750914
Energy: 1.3393719642404338
Energy: 1.2117102907246247
Energy: 1.3403944705886999
Energy: 1.3405353167957348
Energy: 1.2116757953455164
Energy: 1.193691381999412
Energy: 1.3389698963058023
Energy: 1.1967780258598186
Energy: 1.3093362025355622
Energy: 1.3469624401876767
Energy: 1.1967734137059194
Energy: 1.3126804847294034
Energy: 1.3439546944162288
Energy: 1.2103568480872433
Energy: 1.3719787360390756
Energy: 1.3441566881448839
Energy: 1.3252045855209869
Energy: 1.3726763112852294
Energy: 1.3238062997276805
Energy: 1.1972781085798154
Energy: 1.3488245735086448
Energy: 1.3475345095671973
Energy: 1.1970971388016312
Energy: 1.3466146044466938
Energy: 1.2318901769825032
Energy: 1.2112300786970158
Energy: 1.3102488831402574
Energy: 1.3100240494844184
Energy: 1.2113757339777447
Energy: 1.3111800551977453
Energy: 1.2442726583136192
Energy: 1.2773705505957536
Energy: 1.3113010304415125
Energy: 1.3129183248095166
Energy: 1.3045011010475118
Energy: 1.0994452743453564
Energy: 1.3078283313534096
Energy: 1.2854565528291557
Energy: 1.0995546788009265
Energy: 1.0994306446023894
Energy: 1.286866400166781
Energy: 1.1010368548271054
Energy: 1.0990279555134066
Energy: 1.1976988788309857
Energy: 1.2144180113771064
Energy: 1.2818210696309862
Energy: 1.2809554882937018
Energy: 1.1911672934804742
Energy: 1.2835739373684012
Energy: 1.0986647195475445
Energy: 1.284638769775213
Energy: 1.2845742992272176
Energy: 1.0976568876661044
Energy: 1.270724054443425
Energy: 1.0983340645357431
Energy: 1.0973747491181642
Energy: 1.304232223201325
Energy: 1.3056497699118381
Energy: 1.097347224929916
Energy: 1.2806812455738548
Energy: 1.0978080804982104
Energy: 1.0763467152821176
Energy: 1.3201901600770543
Energy: 1.3029806379071627
Energy: 1.2879223331384373
Energy: 1.337439393097965
Energy: 1.291451270612366
Energy: 1.1808394509572198
Energy: 1.1969541818278973
Energy: 1.2357076731483314
Energy: 1.1808948766419989
Energy: 1.1998215740792144
Energy: 1.232643053655184
Energy: 1.2047208392444038
Energy: 1.3318468026804233
Energy: 1.331623002728573
Energy: 1.2320597689332777
Energy: 1.1244940122626939
Energy: 1.2347789939329308
Energy: 1.392891123781408
Energy: 1.330843329031163
Energy: 1.3308766018473759
Energy: 1.3261805351736429
Energy: 1.35265353111439
Energy: 1.3303939380249272
Energy: 1.3753001905233737
Energy: 1.309492520171157
Energy: 1.309081296141347
Energy: 1.375225065756002
Energy: 1.3111543557523309
Energy: 1.3261992953103905
Energy: 1.343624087839629
Energy: 1.327763733111321
Energy: 1.3484743821651537
Energy: 1.354817295850831
Energy: 1.3274663251123764
Energy: 1.3157620309664213
Energy: 1.2641276268109678
Energy: 1.3092143355401684
Energy: 1.3091709139332208
Energy: 1.2642408701161225
Energy: 1.3136382920449514
Energy: 1.3094596006345398
Energy: 1.392904920126642
Energy: 1.3407576736690017
Energy: 1.3403558696152948
Energy: 1.3942035239214183
Energy: 1.3210453986584862
Energy: 1.34083541429371
Energy: 1.3290575786133065
Energy: 1.339405623681344
Energy: 1.3395609522873495
Energy: 1.3276825199943918
Energy: 1.3405249608586989
Energy: 1.3397950337535132
Energy: 1.197067803132391
Energy: 1.3095471539070453
Energy: 1.3472722940014297
Energy: 1.1971633988399568
Energy: 1.3140480533514005
Energy: 1.344167307173787
Energy: 1.098758764368419
Energy: 1.3726630735840655
Energy: 1.3449703510164122
Energy: 1.3250324344731923
Energy: 1.3714323965040658
Energy: 1.2973148945654074
Energy: 1.1971707969672933
Energy: 1.3490266596002367
Energy: 1.347325415417008
Energy: 1.1972098074045312
Energy: 1.3464400291438199
Energy: 1.3479088160315842
Energy: 1.211812019750702
Energy: 1.3104619761042275
Energy: 1.310744927409189
Energy: 1.213571649879591
Energy: 1.310780892188781
Energy: 1.233214549006943
Energy: 1.282890125553705
Energy: 1.3102250823981967
Energy: 1.310290673665299
Energy: 1.28543025308698
Energy: 1.0992913482428002
Energy: 1.320901692526579
Energy: 1.2826656091511779
Energy: 1.0995279294355091
Energy: 1.0994315880273462
Energy: 1.284646208960946
Energy: 1.1019551647815975
Energy: 1.0986418326405896
Energy: 1.1961541206842443
Energy: 1.1908766326825166
Energy: 1.2831235070015803
Energy: 1.283435238500743
Energy: 1.1913669225060293
Energy: 1.2840850527954222
Energy: 1.0972390220954145
Energy: 1.282168950552296
Energy: 1.2822713728772364
Energy: 1.0972288283130152
Energy: 1.2722353490762826
Energy: 1.0983853611918328
Energy: 1.0995140001310526
Energy: 1.3033233808973428
Energy: 1.2150966452823102
Energy: 1.098010619130833
Energy: 1.2810146566735403
Energy: 1.0982724741204457
Energy: 1.0697226482487412
Energy: 1.310221440771082
Energy: 1.3219496024830446
Energy: 1.2838136090873686
Energy: 1.338201152814798
Energy: 1.2901968178001524
Energy: 1.0706840009748935
Energy: 1.1981848560486064
Energy: 1.232375725538392
Energy: 1.0706892710707276
Energy: 1.21369881712115
Energy: 1.2328531983564663
Energy: 1.211063893819477
Energy: 1.2473453665138412
Energy: 1.2318420241760586
Energy: 1.2324934935939014
Energy: 1.1243544771500789
Energy: 1.235587623727265
Energy: 1.3854327341560415
Energy: 1.353191584568035
Energy: 1.3522124576625925
Energy: 1.3879271867020289
Energy: 1.2865140471500667
Energy: 1.3172952602929495
Energy: 1.375389346918812
Energy: 1.3092182991877008
Energy: 1.3120985516507613
Energy: 1.3755431325153527
Energy: 1.3101258157445452
Energy: 1.3439229736474458
Energy: 1.3431004168696723
Energy: 1.326757667242919
Energy: 1.3457670032082403
Energy: 1.3541971272481217
Energy: 1.3276995394492972
Energy: 1.3157912150036468

minimum gb energy = 1.0697226482487412 eV
minimum distance =  2.29202816393621 Angstroms
sigma value = 41


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

Energy: 1.736544558919681
Energy: 1.5667849823811468
Energy: 1.5604827932535503
Energy: 1.7389422847025784
Energy: 1.9959956410801045
Energy: 1.5601460596532868
Energy: 1.3382213370867997
Energy: 1.4217584501102258
Energy: 1.4207116111554499
Energy: 1.4847712895515384
Energy: 1.5347689661499722
Energy: 1.42077545131396
Energy: 1.5309289571143736
Energy: 1.4709907697945261
Energy: 1.4709038295467656
Energy: 1.4232602347256622
Energy: 1.471058338054
Energy: 1.4169927053678668
Energy: 1.4282064034571142
Energy: 1.4704256579699035
Energy: 1.4705484031701952
Energy: 1.4287463623272314
Energy: 1.276574964472242
Energy: 1.421341711834965
Energy: 1.2788390334749982
Energy: 1.4226644128449304
Energy: 1.42133029958634
Energy: 1.2788140664627992
Energy: 1.4240308166618783
Energy: 1.477051411462722
Energy: 1.4649500776582165
Energy: 1.4783610078143092
Energy: 1.4763142616411362
Energy: 1.465746196368246
Energy: 1.4870183072261212
Energy: 1.476954809541204
Energy: 1.2777806891661248
Energy: 1.4783522173896466
Energy: 1.4747646355890975
Energy: 1.2778147835211242
Energy: 1.4771118904382414
Energy: 1.2798945800404509
Energy: 1.2815260096705194
Energy: 1.45307769498555
Energy: 1.338642093325035
Energy: 1.2825535730770001
Energy: 1.45056045438487
Energy: 1.279084806544431
Energy: 1.4446627610554488
Energy: 1.4587105366437505
Energy: 1.4523192840706427
Energy: 1.452038546013499
Energy: 1.33727385187157
Energy: 1.4509945331663496
Energy: 1.3612387922828422
Energy: 1.2798615591322413
Energy: 1.2791540841149927
Energy: 1.354619131557131
Energy: 1.2810485457931704
Energy: 1.3376956673678218
Energy: 1.4687119433015574
Energy: 1.2792921190774171
Energy: 1.4762840912187194
Energy: 1.4746425134493601
Energy: 1.2145167209312766
Energy: 1.4775010364147978
Energy: 1.4588903418942991
Energy: 1.4471642979785213
Energy: 1.4470148126248161
Energy: 1.4594967827320806
Energy: 1.4468890222089108
Energy: 1.3986399588587595
Energy: 1.4861326286633099
Energy: 1.419745354850382
Energy: 1.4209589179911897
Energy: 1.481316260342165
Energy: 1.4208104596431523
Energy: 1.422690489135436
Energy: 1.4772447336474852
Energy: 1.421830366428132
Energy: 1.4845075203776854
Energy: 1.4772803512982968
Energy: 1.4222389329909682
Energy: 1.4818882290279791

minimum gb energy = 1.2145167209312766 eV
minimum distance =  2.31997046543177 Angstroms
sigma value = 11


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

Energy: 2.1432240585559397
Energy: 1.6468962387181498
Energy: 1.733049668730441
Energy: 1.6355844229521785
Energy: 1.6489879808723498
Energy: 1.7859280278020337
Energy: 1.6321519830098339
Energy: 1.4074094710504161
Energy: 1.4074587973034531
Energy: 1.7118011162680151
Energy: 1.4414183179196478
Energy: 1.4083459418843403
Energy: 1.7029588678442862
Energy: 1.5522728988492414
Energy: 1.5011116098252613
Energy: 1.702889803915699
Energy: 1.51755566208299
Energy: 1.504734652738382
Energy: 1.5481210534758616
Energy: 1.5572695169772852
Energy: 1.5656597414343167
Energy: 1.5490277974265296
Energy: 1.3789456644905582
Energy: 1.5664190903429804
Energy: 1.50315460360313
Energy: 1.4067587584323697
Energy: 1.4065473145091236
Energy: 1.5034564763346296
Energy: 1.4067438450673304
Energy: 1.4071274431274412
Energy: 1.6775235909111224
Energy: 1.4391931566182998
Energy: 1.5262752372338346
Energy: 1.5069540116705606
Energy: 1.4392979148476248
Energy: 1.570954221387546
Energy: 1.4392539246911666
Energy: 1.5498653923151327
Energy: 1.523596834022879
Energy: 1.439318301490775
Energy: 1.52941674242091
Energy: 1.5227461475094375
Energy: 1.4413961293490893
Energy: 1.52798947169926
Energy: 1.4086028264832913
Energy: 1.441606680024073
Energy: 1.504199608769151
Energy: 1.4063107124838201
Energy: 1.4161729052585819
Energy: 1.5052423386547242
Energy: 1.5043839893605764
Energy: 1.3969667221825692
Energy: 1.630950227118328
Energy: 1.546414565930831
Energy: 1.4157848023003778
Energy: 1.5051880148073333
Energy: 1.5047497195726551
Energy: 1.4161685039453962
Energy: 1.5044155807812793
Energy: 1.5363703206540749
Energy: 1.4415691093060716
Energy: 1.5259040897875458
Energy: 1.458604858386187
Energy: 1.441399537325828
Energy: 1.4421732376695329
Energy: 1.4081726274990671
Energy: 1.4205540340587715
Energy: 1.5219838171380322
Energy: 1.5023764229135654
Energy: 1.4217303479991201
Energy: 1.5171975687501282
Energy: 1.5027947030757636
Energy: 1.4062317504645105
Energy: 1.503610759743379
Energy: 1.5043075852373142
Energy: 1.4063256082881188
Energy: 1.6653608680259353
Energy: 1.4587875363579244
Energy: 1.4682475582199488
Energy: 1.5045821832197335
Energy: 1.5046642850315253
Energy: 1.5115546431980293
Energy: 1.7635484045329413
Energy: 1.5044442322204965
Energy: 1.3827190400735037
Energy: 1.5249921830047986
Energy: 1.5251982705328395
Energy: 1.3827577781844727
Energy: 1.5055694560715263
Energy: 1.547510824189701
Energy: 1.3836761593756377
Energy: 1.5301996237222981
Energy: 1.3815501882327836
Energy: 1.3850307476789294
Energy: 1.5477244074509755
Energy: 1.3812480965521912
Energy: 1.3811796744635385
Energy: 1.5597158976470524
Energy: 1.5624671183683503
Energy: 1.381193771415995
Energy: 1.5455948706109903
Energy: 1.5719261606318364
Energy: 1.7428016348645474
Energy: 1.566352099083031
Energy: 1.5377513349729475
Energy: 1.6035703550421692
Energy: 1.5675220490788264
Energy: 1.4829032570746368
Energy: 1.443770898493602
Energy: 1.444993832534296
Energy: 1.444595169622702
Energy: 1.4438643906568007
Energy: 1.567264123687168
Energy: 1.4925335685999412
Energy: 1.52478775847639
Energy: 1.5879415726149104
Energy: 1.5334789590818616
Energy: 1.5264378636701967
Energy: 1.5578027567577009
Energy: 1.4699108997777413
Energy: 1.5695811135791085
Energy: 1.595645665539425
Energy: 1.4652762935781216
Energy: 1.571566434898559
Energy: 1.3812194194828382
Energy: 1.5059920588107383
Energy: 1.4396609645253438
Energy: 1.445331851326748
Energy: 1.4450576160913888
Energy: 1.4050187245567356
Energy: 1.4890052114028702
Energy: 1.445855283944287
Energy: 1.496694425517457
Energy: 1.5348377447302581
Energy: 1.5000637798985592
Energy: 1.5494917012976293
Energy: 1.5270279799605495
Energy: 1.5003516229448117
Energy: 1.5667804155201044
Energy: 1.4447464264552188
Energy: 1.5203027633073893
Energy: 1.5666632914274257
Energy: 1.4442449692943455
Energy: 1.4627057638413075
Energy: 1.5673471973175888
Energy: 1.549263378546319
Energy: 1.5280242123792476
Energy: 1.568957115890026
Energy: 1.6543540458624206
Energy: 1.5284952857157594
Energy: 1.5733541496566852
Energy: 1.3805922342669734
Energy: 1.5617508834700293
Energy: 1.5425936729154108
Energy: 1.3815391831802981
Energy: 1.5800976086903507
Energy: 1.5503159654788203
Energy: 1.3819588748273184
Energy: 1.3812240423586892
Energy: 1.5496136713324398
Energy: 1.3823842183384707
Energy: 1.3812486767465724
Energy: 1.547536148525446
Energy: 1.381674288428031
Energy: 1.548867696498464
Energy: 1.524656512529305
Energy: 1.3833382908667815
Energy: 1.548227045666536
Energy: 1.77037288716984
Energy: 1.5130672598578763
Energy: 1.4927560486507625
Energy: 1.7114685620262846
Energy: 1.51382961834532
Energy: 1.4931377773051056
Energy: 1.711328302050041
Energy: 1.4061452405011063
Energy: 1.4592080253278028
Energy: 1.7129546781486118
Energy: 1.4060312548195442
Energy: 1.5448929010775931
Energy: 2.1471052800315507
Energy: 1.4312632898866091
Energy: 1.47008461985315
Energy: 1.5632950435352133
Energy: 1.4226139967270632
Energy: 1.4705556918597495

minimum gb energy = 1.3789456644905582 eV
minimum distance =  2.30905853054362 Angstroms
sigma value = 57


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

Energy: 1.935781438544029
Energy: 1.6639452439614508
Energy: 1.695217377107252
Energy: 1.9392800492978193
Energy: 2.130865040259674
Energy: 1.698982435393979
Energy: 1.34562592233116
Energy: 1.415351918802027
Energy: 1.3856259413035708
Energy: 1.5476949965303723
Energy: 1.5516494708471007
Energy: 1.4036461380732723
Energy: 1.5128936876754884
Energy: 1.3995129222649354
Energy: 1.3772896370794512
Energy: 1.5126606391858126
Energy: 1.4085357742315088
Energy: 1.3847065040949138
Energy: 1.5118177535638233
Energy: 1.4038977685947027
Energy: 1.3800825183246788
Energy: 1.513746066144939
Energy: 1.4065474118523509
Energy: 1.381159902285707
Energy: 1.4127956199421015
Energy: 1.3810649546280196
Energy: 1.3817248138725005
Energy: 1.4129917663913898
Energy: 1.3796599581322837
Energy: 1.3793976803444858
Energy: 1.461270444720123
Energy: 1.4016850882462186
Energy: 1.4012850863512603
Energy: 1.4156018930955243
Energy: 1.5121822456301501
Energy: 1.4143941447809676
Energy: 1.5130803079421526
Energy: 1.446385705034215
Energy: 1.4469755111844276
Energy: 1.5150134106885735
Energy: 1.4501876135055158
Energy: 1.4009606552985108
Energy: 1.5475675770977244
Energy: 1.4047407474000129
Energy: 1.3833947947446352
Energy: 1.5495394469523764
Energy: 1.4138001078368758
Energy: 1.3818283430577076
Energy: 1.3461010881243665
Energy: 1.3792144097536554
Energy: 1.3479272156210367
Energy: 1.3520993215341026
Energy: 1.5136649218347367
Energy: 1.3471166795602394
Energy: 1.3461465521218474
Energy: 1.3791528891683749
Energy: 1.347771562027174
Energy: 1.4277118973890803
Energy: 1.5191045069079772
Energy: 1.3468692568308096
Energy: 1.5476163031327745
Energy: 1.403773421839654
Energy: 1.4045417338225974
Energy: 1.5495534911570366
Energy: 1.4136457079771223
Energy: 1.3824255697734071
Energy: 1.506661796109056
Energy: 1.5767497063128646
Energy: 1.5779801422008626
Energy: 1.507794353054058
Energy: 1.6930321348237944
Energy: 1.37952290701166
Energy: 1.4128067166859049
Energy: 1.4149154108594388
Energy: 1.4150215266622466
Energy: 1.4147321896522107
Energy: 1.4163519016341526
Energy: 1.5325820399964007
Energy: 1.699098833577921
Energy: 1.3811028044232867
Energy: 1.3793956436253623
Energy: 1.415492787093717
Energy: 1.5163626653161535
Energy: 1.379659747908765
Energy: 1.5120519637993863
Energy: 1.4472360303431226
Energy: 1.3830558043870842
Energy: 1.5121963714757445
Energy: 1.4481671554290274
Energy: 1.381174801875943
Energy: 1.521840167506347
Energy: 1.4471690273627975
Energy: 1.4273722005687666
Energy: 1.5220915029439326
Energy: 1.4474837594037797
Energy: 1.384981820451341
Energy: 1.3455959816625755
Energy: 1.4137917962884432
Energy: 1.4146714657951378
Energy: 1.3457112404133977
Energy: 1.4158542866073736
Energy: 1.41436623851118

minimum gb energy = 1.3455959816625755 eV
minimum distance =  2.31503120395677 Angstroms
sigma value = 9


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

Energy: 2.2610883052057655
Energy: 1.6148105827463421
Energy: 1.6224968068478798
Energy: 1.5355694263350905
Energy: 1.5466946452327603
Energy: 1.5310525296455149
Energy: 1.6112330402284403
Energy: 1.5203955427769804
Energy: 1.4882299572588387
Energy: 1.5768560001340874
Energy: 1.5370346739376513
Energy: 1.4997138527310494
Energy: 1.5428211529854985
Energy: 1.6317486464604745
Energy: 1.501513291322597
Energy: 1.5442440369827737
Energy: 1.5253767019946338
Energy: 1.6055512552425544
Energy: 1.4847209413559064
Energy: 1.5078339522458608
Energy: 1.4863137845693455
Energy: 1.484463705344428
Energy: 1.4993735508269734
Energy: 1.5059967934860028
Energy: 1.5394190477414267
Energy: 1.4585558852013987
Energy: 1.4984438266406366
Energy: 1.5394169353417937
Energy: 1.5198133323814278
Energy: 1.5103907504624376
Energy: 1.4786944450864676
Energy: 1.471839696028171
Energy: 1.4672728720365045
Energy: 1.4805958525930798
Energy: 1.516989606257532
Energy: 1.4666766983068693
Energy: 1.4934615309444657
Energy: 1.5769413109721813
Energy: 1.5308440310519211
Energy: 1.4942955215895706
Energy: 1.5046887938634697
Energy: 1.526343048743087
Energy: 1.5717664048583655
Energy: 1.4630595293505388
Energy: 1.472342907731234
Energy: 1.5732246169626056
Energy: 1.4650588028554024
Energy: 1.4741844516648586
Energy: 1.6803057227416358
Energy: 1.5440247666909077
Energy: 1.5146538510802428
Energy: 1.528276457473327
Energy: 1.5600985152249944
Energy: 1.5109710770388083
Energy: 1.5940526795892378
Energy: 1.5130522492179639
Energy: 1.5146990978112178
Energy: 1.552274199527427
Energy: 1.4948173435727194
Energy: 1.4984633114177561
Energy: 1.5721593186046008
Energy: 1.4676999362606513
Energy: 1.467764803307676
Energy: 1.5739821307889041
Energy: 1.4667606264281539
Energy: 1.4779904577582723
Energy: 1.5350983054078973
Energy: 1.4883680871939595
Energy: 1.5025162931761424
Energy: 1.5366175553453543
Energy: 1.5159852880860214
Energy: 1.5099656361437648
Energy: 1.7530297141749818
Energy: 1.5648456506085848
Energy: 1.604176295047149
Energy: 1.4816560704484942
Energy: 1.5686344417899414
Energy: 1.6839504790805222
Energy: 1.6035458670615896
Energy: 1.506618943892175
Energy: 1.5068709319394626
Energy: 1.603949451162892
Energy: 1.5546371835864625
Energy: 1.4856424235076138
Energy: 1.5343893044701287
Energy: 1.4637904900754137
Energy: 1.4638524915745923
Energy: 1.5349401668110063
Energy: 1.5259132608472477
Energy: 1.5185384073259567
Energy: 1.5150084041280014
Energy: 1.4921118118723788
Energy: 1.5108071615802183
Energy: 1.51450981820923
Energy: 1.5626542760583506
Energy: 1.513958789123606
Energy: 1.5049584727203351
Energy: 1.5018897160588367
Energy: 1.4860311668080413
Energy: 1.505571201604307
Energy: 1.5343464386100119
Energy: 1.4860753768836834
Energy: 1.6495511928387614
Energy: 1.5972440653829134
Energy: 1.612841427555874
Energy: 1.6514442693219982
Energy: 1.589121518009797
Energy: 1.6145375770672667
Energy: 1.5090777820983432
Energy: 1.488010054685799
Energy: 1.5011853740171095
Energy: 1.5091325069924233
Energy: 1.5696879875170604
Energy: 1.4981596762993954
Energy: 1.5052148682705113
Energy: 1.4879060946689497
Energy: 1.4870132318975224
Energy: 1.5053284842679235
Energy: 1.524550673846379
Energy: 1.5031534626586007
Energy: 1.5278763451579636
Energy: 1.522366116769284
Energy: 1.5187724550602548
Energy: 1.4690788274188111
Energy: 1.5194398075302826
Energy: 1.5060110349310738

minimum gb energy = 1.4585558852013987 eV
minimum distance =  2.28145550967466 Angstroms
sigma value = 27


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

Energy: 1.9237092987859215
Energy: 1.5691787549798146
Energy: 1.7406533199951812
Energy: 1.7366575482016757
Energy: 2.007056132864636
Energy: 1.5674355185642201
Energy: 1.565536601667761
Energy: 1.5829840283186587
Energy: 1.6008642965300044
Energy: 1.6143353540326553
Energy: 1.5779619948066925
Energy: 1.5302249252161535
Energy: 1.6560841087096578
Energy: 1.6652076928973236
Energy: 1.5219587811068753
Energy: 1.474424817716701
Energy: 1.4836323646222898
Energy: 1.6498947246743576
Energy: 1.706398587596488
Energy: 1.6484735079221973
Energy: 1.6220451500135886
Energy: 1.5843348108746749
Energy: 1.464196683750965
Energy: 1.6368815826767191
Energy: 1.4934824479487105
Energy: 1.5788653900491378
Energy: 1.6194986545557966
Energy: 1.4872163973456016
Energy: 1.674814818373958
Energy: 1.564882350615656
Energy: 1.6752493822641312
Energy: 1.579438650225397
Energy: 1.5769712869043981
Energy: 1.6540296897824143
Energy: 1.6428915223295857
Energy: 1.575887591416002
Energy: 1.6881373444115129
Energy: 1.568101136501414
Energy: 1.566961352319948
Energy: 1.499049076458313
Energy: 1.6651916457624008
Energy: 1.5665567948427097
Energy: 1.6547628146221005
Energy: 1.5819891197483231
Energy: 1.5744090441884482
Energy: 1.641852532158131
Energy: 1.5567728230770752
Energy: 1.6732274968168808
Energy: 1.7403609339042583
Energy: 1.6468791991613971
Energy: 1.5909611764849545
Energy: 1.5744976082108197
Energy: 1.6476165381071088
Energy: 1.5965172801565626
Energy: 1.7405395181807168
Energy: 1.5555279623706597
Energy: 1.5595622359517776
Energy: 1.5750865251819297
Energy: 1.5543636257511837
Energy: 1.556739655412049
Energy: 1.6855791250019658
Energy: 1.5923764545009738
Energy: 1.7040706659334712
Energy: 1.6645453923143214
Energy: 1.483584172992041
Energy: 1.6166329514809423
Energy: 1.576011489648203
Energy: 1.5215473621512672
Energy: 1.5324986873948228
Energy: 1.576165028650365
Energy: 1.4969759713481439
Energy: 1.5324839565813406
Energy: 1.6089662983613466
Energy: 1.605992219437993
Energy: 1.6133069221680545
Energy: 1.6107316623278771
Energy: 1.6027855928801098
Energy: 1.612905981918976
Energy: 1.671014082687141
Energy: 1.6086112389026366
Energy: 1.621990860327997
Energy: 1.600134934736544
Energy: 1.6026045752405234
Energy: 1.5924284987188873
Energy: 1.5753033358306765
Energy: 1.5215455135788087
Energy: 1.5324751908423024
Energy: 1.5773581244782284
Energy: 1.5225843804578376
Energy: 1.540406926854208
Energy: 1.628222631882711
Energy: 1.5616696959031933
Energy: 1.5741719519660697
Energy: 1.583668260032129
Energy: 1.5501047098343397
Energy: 1.573273466468374
Energy: 1.5051075961718499
Energy: 1.593542308576737
Energy: 1.5928020621044192
Energy: 1.4956735262828695
Energy: 1.6197418522936842
Energy: 1.5902250650785823
Energy: 1.6107421727512592
Energy: 1.6108451050965038
Energy: 1.5826686003502028
Energy: 1.5849618422702878
Energy: 1.6447121560158116
Energy: 1.5773909799773014
Energy: 1.6411583465839794
Energy: 1.5449753203146601
Energy: 1.5453334691202851
Energy: 1.627589199401276
Energy: 1.555369307607276
Energy: 1.542034157861502
Energy: 1.7013317860423616
Energy: 1.5680641243963809
Energy: 1.5421820879720314
Energy: 1.5020610897361828
Energy: 1.5554691278258084
Energy: 1.541989896121313
Energy: 1.8239709553850953
Energy: 1.6284393079810309
Energy: 1.6574870119040814
Energy: 1.6637448587627142
Energy: 1.6540393986136182
Energy: 1.6414286919631895
Energy: 1.488028367459065
Energy: 1.6053652835863046
Energy: 1.5954171569011901
Energy: 1.482382222606205
Energy: 1.606097784820768
Energy: 1.5472991577143724
Energy: 1.8433873583182687
Energy: 1.6497250254595968
Energy: 1.6273881626365425
Energy: 1.6938227607754304
Energy: 1.62950410714481
Energy: 1.6504131052240814
Energy: 1.6562981835117316
Energy: 1.6319559813180051
Energy: 1.5072521376100991
Energy: 1.4746458774985711
Energy: 1.6063050502652123
Energy: 1.6475031201406192
Energy: 1.6076597563080548
Energy: 1.6284080076745675
Energy: 1.607307498726124
Energy: 1.5250359548207897
Energy: 1.620367499546653
Energy: 1.5537915678106877

minimum gb energy = 1.464196683750965 eV
minimum distance =  2.2475502165469 Angstroms
sigma value = 19


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

Energy: 2.1800077406406912
Energy: 1.5816752769985778
Energy: 1.5898734581738505
Energy: 1.5066593028731006
Energy: 1.5622940593542325
Energy: 1.5452008418717895
Energy: 1.6411811374623138
Energy: 1.5281916542528402
Energy: 1.5226576356047568
Energy: 1.735883831689741
Energy: 1.5212397262679185
Energy: 1.5237493869434575
Energy: 1.5286963828465556
Energy: 1.4176500656999846
Energy: 1.48807850186472
Energy: 1.528165465784731
Energy: 1.4182489607162398
Energy: 1.4948914670787061
Energy: 1.5220255464627666
Energy: 1.5276397480243615
Energy: 1.5280903061298472
Energy: 1.5207799417218795
Energy: 1.5253066781897593
Energy: 1.5261328915706642
Energy: 1.4346280644148164
Energy: 1.5219351148563296
Energy: 1.519289764542046
Energy: 1.4363834266614144
Energy: 1.5294107147395444
Energy: 1.494198953322328
Energy: 1.5676579221540972
Energy: 1.527769401922383
Energy: 1.528566913976741
Energy: 1.5612964831061815
Energy: 1.6173039079246287
Energy: 1.5270130532477146
Energy: 1.51124234948315
Energy: 1.5305718250404563
Energy: 1.53339898576234
Energy: 1.5264742085114027
Energy: 1.5216800541085675
Energy: 1.5028871315485197
Energy: 1.520701689324137
Energy: 1.4957648918552644
Energy: 1.5222529515365857
Energy: 1.5269494486836805
Energy: 1.5377707899659432
Energy: 1.519698750274368
Energy: 1.4182045895614537
Energy: 1.5015367064176992
Energy: 1.490940567083598
Energy: 1.4171374380324722
Energy: 1.528801093111119
Energy: 1.4948541430005022
Energy: 1.4165097581232324
Energy: 1.507327035239714
Energy: 1.5057400485342034
Energy: 1.4175520350321993
Energy: 1.4920114127031392
Energy: 1.5063676648019062
Energy: 1.5211804857257467
Energy: 1.3944364153025735
Energy: 1.3995605175186447
Energy: 1.5213206403721753
Energy: 1.3944264231018373
Energy: 1.3971641167142839
Energy: 1.5991577451577212
Energy: 1.5082859317005084
Energy: 1.5106181791204718
Energy: 1.6009347428046425
Energy: 1.5124045979507548
Energy: 1.508738715537386
Energy: 1.4896995129362502
Energy: 1.4997661818395622
Energy: 1.508456804748703
Energy: 1.448691262420582
Energy: 1.5245597528125532
Energy: 1.502291397469141
Energy: 1.5744778596946898
Energy: 1.5068110688366225
Energy: 1.5080566350210738
Energy: 1.4756258203896995
Energy: 1.5115056026454272
Energy: 1.4973659439053535
Energy: 1.5034399678990766
Energy: 1.3955013844294255
Energy: 1.4890436057696
Energy: 1.5029934819708781
Energy: 1.392854671358912
Energy: 1.4894221275588493
Energy: 1.5431137024492099
Energy: 1.4881717644253456
Energy: 1.488730937267255
Energy: 1.5390429461163706
Energy: 1.3936518846910462
Energy: 1.487423794184302
Energy: 1.4610464905897047
Energy: 1.486171070412183
Energy: 1.5287571250152683
Energy: 1.3919645773010034
Energy: 1.485670315431704
Energy: 1.5110128243771601
Energy: 1.5391697819523262
Energy: 1.4960243096371981
Energy: 1.4955185050707913
Energy: 1.4804099658885475
Energy: 1.5449850846796003
Energy: 1.4868337208177589
Energy: 1.5308055872009338
Energy: 1.4608105486996705
Energy: 1.5274519038621786
Energy: 1.5324405658468194
Energy: 1.466081728979391
Energy: 1.5071070938005855
Energy: 1.5151944910595538
Energy: 1.5447163130627175
Energy: 1.5276093676496758
Energy: 1.5171313123944354
Energy: 1.3899668702854024
Energy: 1.5072170507887772
Energy: 1.397681314646642
Energy: 1.4954182977146908
Energy: 1.4933775093534685
Energy: 1.3980089752394758
Energy: 1.5033698489656624
Energy: 1.4913329759095277
Energy: 1.4406649881090867
Energy: 1.513083104904075
Energy: 1.5074171874839857
Energy: 1.4397023804518359
Energy: 1.5442009430051655
Energy: 1.4982917176769077
Energy: 1.497464045556113
Energy: 1.5079783305485825
Energy: 1.5289284830171435
Energy: 1.4974304623100567
Energy: 1.5022058734107475
Energy: 1.4884952858740348
Energy: 1.5196741187673322
Energy: 1.4900477016556444
Energy: 1.4832144769510192
Energy: 1.5200452845557366
Energy: 1.384103511258514
Energy: 1.4908917846392362
Energy: 1.4953016950959768
Energy: 1.505054353927682
Energy: 1.510602627353902
Energy: 1.4589635701974182
Energy: 1.5033075708440655
Energy: 1.5116872027241732
Energy: 1.4497075213890704
Energy: 1.5208373112134244
Energy: 1.528514602245426
Energy: 1.4142703336164246
Energy: 1.519885620800003
Energy: 1.5179364764955379
Energy: 1.5117737771338218
Energy: 1.5047017039212385
Energy: 1.4985127618951464
Energy: 1.5117338450534246
Energy: 1.4189697769668017
Energy: 1.497090210733167
Energy: 1.5275320376999753
Energy: 1.504746242372058
Energy: 1.5112084703466442
Energy: 1.5281335526059432
Energy: 1.4176480301301215
Energy: 1.5126313435805523
Energy: 1.5141031305097543
Energy: 1.5573689679853469
Energy: 1.5584501342211057
Energy: 1.3823304198022406
Energy: 1.5287257545720043
Energy: 1.4799125545409153

minimum gb energy = 1.3823304198022406 eV
minimum distance =  2.28221743574274 Angstroms
sigma value = 101


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

Energy: 1.9909178365670688
Energy: 1.5199394851660615
Energy: 1.4937568924776368
Energy: 1.8682680322556051
Energy: 1.5165795968108817
Energy: 1.8706579578878018
Energy: 1.5333016346008386
Energy: 1.4892303260514261
Energy: 1.473370570011904
Energy: 1.5932367184922895
Energy: 1.492857636416847
Energy: 1.4729870026670144
Energy: 1.5201633805858952
Energy: 1.3510167378401592
Energy: 1.3479074753341607
Energy: 1.5205241233143156
Energy: 1.3504048815329517
Energy: 1.3472289467867902
Energy: 1.4916305736315774
Energy: 1.4749466625338388
Energy: 1.4706045420992293
Energy: 1.4927070720590063
Energy: 1.4709827685022472
Energy: 1.4696666246389094
Energy: 1.3677762396965751
Energy: 1.5017006028329614
Energy: 1.4683657622595578
Energy: 1.3709481970808322
Energy: 1.5220713140586768
Energy: 1.3674471461315667
Energy: 1.4723432361421869
Energy: 1.4706221844596366
Energy: 1.4722162525759808
Energy: 1.474075935726115
Energy: 1.5166611763792395
Energy: 1.471278409326504
Energy: 1.460107444624084
Energy: 1.401499775735893
Energy: 1.40316117015666
Energy: 1.46177603066875
Energy: 1.398718092415825
Energy: 1.4122104421726231
Energy: 1.523732789343935
Energy: 1.47172905879724
Energy: 1.4740653859354265
Energy: 1.4942293515516472
Energy: 1.4669572371579989
Energy: 1.4730502233760596
Energy: 1.3498107610342476
Energy: 1.4534067232275887
Energy: 1.3489572308176256
Energy: 1.3499247794822062
Energy: 1.5188937419889763
Energy: 1.3491030977908132
Energy: 1.3463762357405311
Energy: 1.474070025593591
Energy: 1.4707103633053389
Energy: 1.3470783039783971
Energy: 1.5167981347825499
Energy: 1.470542878847855
Energy: 1.4997164346039633
Energy: 1.3187813205281804
Energy: 1.3182335148048756
Energy: 1.4997712180840665
Energy: 1.3176052915030656
Energy: 1.318298525936875
Energy: 1.4994124789695005
Energy: 1.4700198080619893
Energy: 1.471923524884099
Energy: 1.499119552722187
Energy: 1.476522169696918
Energy: 1.4699113981946155
Energy: 1.4008195081398316
Energy: 1.479453514674678
Energy: 1.4342365655838558
Energy: 1.345819792430607
Energy: 1.5201907386471758
Energy: 1.4072520038818561
Energy: 1.4001165921579164
Energy: 1.4787969667345258
Energy: 1.4768570150038245
Energy: 1.4528854667707092
Energy: 1.5054764638064546
Energy: 1.4718181041008205
Energy: 1.5183854169091557
Energy: 1.3479381330214306
Energy: 1.3475479545336053
Energy: 1.5203722195636595
Energy: 1.3518272708930092
Energy: 1.349521481505926
Energy: 1.5894612515821402
Energy: 1.453456218023435
Energy: 1.4718353101812658
Energy: 1.5348043444498898
Energy: 1.3496664764111626
Energy: 1.4704001992567524
Energy: 1.99104423902139
Energy: 1.4274246711977765
Energy: 1.47184090194856
Energy: 1.3164527798947707
Energy: 1.4273989206560598
Energy: 1.3176744667109992
Energy: 1.5345670013255663
Energy: 1.5034150781225637
Energy: 1.4893031004259791
Energy: 1.5366020263312117
Energy: 1.5038776755031418
Energy: 1.4678951699785519
Energy: 1.518505335197337
Energy: 1.402059255866647
Energy: 1.4751483983139473
Energy: 1.5186876591244491
Energy: 1.3475044917464682
Energy: 1.4737103162864251
Energy: 1.5026305846499803
Energy: 1.4713937223589058
Energy: 1.4734273777218654
Energy: 1.5039809855229305
Energy: 1.3493559508759487
Energy: 1.4720727523665202
Energy: 1.3722612397999188
Energy: 1.4984314890674149
Energy: 1.4062430590887458
Energy: 1.3698133246823765
Energy: 1.501627567046626
Energy: 1.3679264901049208
Energy: 1.4461125306087634
Energy: 1.4748173037143608
Energy: 1.472343260016205
Energy: 1.4482407317481347
Energy: 1.535688130159184
Energy: 1.4720273483967992
Energy: 1.4160162007958272
Energy: 1.4028117355729386
Energy: 1.4471772937061207
Energy: 1.4161001029240732
Energy: 1.3986095167867258
Energy: 1.4019496301689536
Energy: 1.4529808567554108
Energy: 1.4674014391428845
Energy: 1.4709129809215091
Energy: 1.4523776866577727
Energy: 1.4088458951114504
Energy: 1.4713003649131318
Energy: 1.3636278400648176
Energy: 1.4756554483737756
Energy: 1.472704183198023
Energy: 1.3641971262879187
Energy: 1.4998184998469821
Energy: 1.446382271725777
Energy: 1.3491565593064603
Energy: 1.4772723409548034
Energy: 1.4705482376325802
Energy: 1.350992949158399
Energy: 1.516356153117875
Energy: 1.4711645646625944
Energy: 1.5145881589313877
Energy: 1.3193755380731313
Energy: 1.473346088967761
Energy: 1.499342354864272
Energy: 1.3183262180384911
Energy: 1.4688274097593044
Energy: 1.5158889828643094
Energy: 1.4603961809595893
Energy: 1.4730513174179514
Energy: 1.5172608519227573
Energy: 1.3188033651534594
Energy: 1.4776771462453946
Energy: 1.4006804609465118
Energy: 1.4924049222696112
Energy: 1.4761458789783581
Energy: 1.3437094978024142
Energy: 1.5188170389317237
Energy: 1.475734052757491
Energy: 1.4014441873154526
Energy: 1.4869292292025544
Energy: 1.4058096934421422
Energy: 1.3437524799612777
Energy: 1.499387408755862
Energy: 1.4493636133521317
Energy: 1.5161840878932888
Energy: 1.3497160270863497
Energy: 1.4535212716628376
Energy: 1.5174211780695859
Energy: 1.3476655676885698
Energy: 1.455079407849096
Energy: 1.5182995583494259
Energy: 1.4017055742834263
Energy: 1.4498233398417049
Energy: 1.5191026580149154
Energy: 1.3991525414246286
Energy: 1.406604292919904
Energy: 1.4264130484961481
Energy: 1.3496226579526984
Energy: 1.4100647972198896
Energy: 1.3159259577678506
Energy: 1.427706405602455
Energy: 1.4101454452608575

minimum gb energy = 1.3159259577678506 eV
minimum distance =  2.28557654905445 Angstroms
sigma value = 33


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

Energy: 0.020466031021890645
Energy: 0.021805041412547334
Energy: 0.021266589070665937
Energy: 0.02311493699812556
Energy: 1.117405698600633
Energy: 0.021297521146584966
Energy: 0.021639824446221527
Energy: 0.17753377980479648
Energy: 0.1748846246082925
Energy: 0.1752748913041144
Energy: 0.17507087445588734
Energy: 0.17455627864557424
Energy: 1.7016339026534932
Energy: 1.1183088194255388
Energy: 1.1158278910291184
Energy: 1.1125774957816739
Energy: 1.1166319340670139
Energy: 1.1158045574702398
Energy: 0.7594247790513494
Energy: 0.1775337798043291
Energy: 0.17488462460782508
Energy: 0.1752748913045818
Energy: 0.17507087445541994
Energy: 0.17455627864557424

minimum gb energy = 0.020466031021890645 eV
minimum distance =  2.45865481205926 Angstroms
sigma value = 1