Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Ni__MO_000553624872_000
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=4.450350014532299
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, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.6747188303208195e-19, 5.014941038550719e-19, 5.311327694074379e-19, 5.57166537533304e-19, 5.80149761348034e-19, 6.004909958932979e-19, 6.18501063436092e-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: 0.01808958665033192
Energy: 0.01860337261072622
Energy: 0.018618571961888916
Energy: 0.01840325789535878
Energy: 0.6718588852117772
Energy: 0.01862466169208442
Energy: 0.01860337261072622
Energy: 0.16004755023466063
Energy: 0.15998081780533907
Energy: 0.15972437708609832
Energy: 0.1597514890333843
Energy: 0.16135353607715516
Energy: 0.018618571961888916
Energy: 0.15998081780563286
Energy: 0.16140212394021256
Energy: 0.018578671105727154
Energy: 0.15968726349210158
Energy: 0.16078064238403944
Energy: 0.01840325789565256
Energy: 0.1597243770867593
Energy: 0.018578671105727154
Energy: 0.01855733477923085
Energy: 0.1598976901860104
Energy: 0.01851480884868483
Energy: 0.6718588852111161
Energy: 0.1597514890333843
Energy: 0.15968726349177106
Energy: 0.1598976901856799
Energy: 0.15972733436264747
Energy: 0.15965524687378058
Energy: 0.018624661692414925
Energy: 0.16135353607748568
Energy: 0.16078064238403944
Energy: 0.018514808848060546
Energy: 0.15965524687411112
Energy: 0.018505393751893216

minimum gb energy = 0.01808958665033192 eV
minimum distance =  2.48701469072558 Angstroms
sigma value = 1


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

Energy: 2.0597999007823633
Energy: 1.550614126295348
Energy: 1.4122530102032913
Energy: 1.4438214146474433
Energy: 1.7359115869941384
Energy: 1.908260280691619
Energy: 1.923010231230273
Energy: 1.34506795841162
Energy: 1.3449037410351108
Energy: 1.3959638594947164
Energy: 1.3450060472469116
Energy: 1.3439224727137151
Energy: 1.8706834115998503
Energy: 1.3441515170189
Energy: 1.3442088206642582
Energy: 1.3548863366874548
Energy: 1.3439599339264663
Energy: 1.3050263560037871
Energy: 1.9642030753968795
Energy: 1.2961316229651068
Energy: 1.3421110260251043
Energy: 1.3266676876463053
Energy: 1.3492514250542726
Energy: 1.326370103492391
Energy: 1.8651963474010793
Energy: 1.4008896922679868
Energy: 1.4007856700160128
Energy: 1.4031096205555842
Energy: 1.4012624541131498
Energy: 1.4005543964665113
Energy: 1.8185314029332726
Energy: 1.4007447740580028
Energy: 1.3997561420275773
Energy: 1.3827536330137165
Energy: 1.4010728377884654
Energy: 1.3815078655719952
Energy: 1.820568562201904
Energy: 1.3806346125266564
Energy: 1.38049776739799
Energy: 1.3799778801559635
Energy: 1.3962392274744584
Energy: 1.3806486114618952
Energy: 1.7356898427693714
Energy: 1.4015403630409236
Energy: 1.4020518960360349
Energy: 1.3928390684835892
Energy: 1.399438122323745
Energy: 1.3813932908315147
Energy: 1.486853438826376
Energy: 1.3969754659267166
Energy: 1.3816689440468006
Energy: 1.4067359533533592
Energy: 1.3967967327887805
Energy: 1.37931184841623
Energy: 1.483489860979812
Energy: 1.4009555961577922
Energy: 1.3636382626433001
Energy: 1.3766596839147605
Energy: 1.4009457753337002
Energy: 1.3635638307043334
Energy: 1.520076784637326
Energy: 1.353099762031453
Energy: 1.354080758022029
Energy: 1.5198551899529413
Energy: 1.353657318693962
Energy: 1.3520535913900378
Energy: 1.3442962519597499
Energy: 1.358745534868151
Energy: 1.3592948153961963
Energy: 1.344328594606425
Energy: 1.3711397629575803
Energy: 1.3441183297024126
Energy: 1.3447369391027584
Energy: 1.387547016446399
Energy: 1.3874346350012898
Energy: 1.3446663008539044
Energy: 1.3706324042141318
Energy: 1.3442372021572424
Energy: 1.3943307366933304
Energy: 1.3758688859101733
Energy: 1.356291703225504
Energy: 1.3938476943986653
Energy: 1.3551545133529939
Energy: 1.3275589563513082
Energy: 1.3945419491130215
Energy: 1.4015471496782406
Energy: 1.3270159993931276
Energy: 1.3441029283339156
Energy: 1.4032164507024145
Energy: 1.3442468279319664
Energy: 1.3981149150348933
Energy: 1.3254444798281784
Energy: 1.3254705746580224
Energy: 1.3785625137583026
Energy: 1.3714985314439538
Energy: 1.3454017042663993
Energy: 1.7002303706114277
Energy: 1.3915504288605038
Energy: 1.3914584620834987
Energy: 1.3579697699918711
Energy: 1.3791540272480716
Energy: 1.3281055739897478
Energy: 1.6471895096602975
Energy: 1.399918670452623
Energy: 1.3992179170492844
Energy: 1.4002267921999705
Energy: 1.4469229151167258
Energy: 1.3993198394857578
Energy: 1.6507140864179677
Energy: 1.3995812356398
Energy: 1.3989700775508946
Energy: 1.3996048042541738
Energy: 1.3994794867224256
Energy: 1.4121899472861077
Energy: 1.871061409868687
Energy: 1.4002871429554145
Energy: 1.413217345483604
Energy: 1.399670889460083
Energy: 1.3995957729187667
Energy: 1.3984258555618911
Energy: 1.8852773717801097
Energy: 1.3958330756891206
Energy: 1.3755859576693634
Energy: 1.3549413199897398
Energy: 1.4323608891035453
Energy: 1.395835102431759
Energy: 1.887897231673644
Energy: 1.3737783257648055
Energy: 1.372260050501642
Energy: 1.383832747511131
Energy: 1.3891341244008455
Energy: 1.3408593911421582
Energy: 1.9228761917340311
Energy: 1.344088414597047
Energy: 1.3442476103798635
Energy: 1.3822382469355918
Energy: 1.3441671262873904
Energy: 1.343908176039172

minimum gb energy = 1.2961316229651068 eV
minimum distance =  2.32703690440799 Angstroms
sigma value = 33


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

Energy: 2.412460210513633
Energy: 1.5251007053930363
Energy: 1.8281761237898082
Energy: 1.8244400080144747
Energy: 1.4409525993883696
Energy: 1.9295917415261112
Energy: 1.662610863850846
Energy: 1.378034129067625
Energy: 1.3780584811524563
Energy: 1.3776849746674276
Energy: 1.3781286682500813
Energy: 1.377388135879327
Energy: 1.9473230937260486
Energy: 1.3876868599986119
Energy: 1.4160228174925842
Energy: 1.5060847778355049
Energy: 1.3877289845168235
Energy: 1.540148761581395
Energy: 1.865258458144709
Energy: 1.5275236120543598
Energy: 1.5185767775096188
Energy: 1.4598412143236055
Energy: 1.524484921777691
Energy: 1.4286690849199268
Energy: 1.8306328390053985
Energy: 1.5196686382819369
Energy: 1.518337131937341
Energy: 1.4096112344375966
Energy: 1.5191344298154923
Energy: 1.5504391921422247
Energy: 1.9109691952210177
Energy: 1.5624767420963952
Energy: 1.5641711394780582
Energy: 1.529663785059668
Energy: 1.5336177843204803
Energy: 1.5135620049206533
Energy: 1.9097078760541006
Energy: 1.5180191141447557
Energy: 1.520014238633482
Energy: 1.517705986539564
Energy: 1.5561113439071026
Energy: 1.5167138970433875
Energy: 1.8271071295185093
Energy: 1.4851069027128418
Energy: 1.4852569679391776
Energy: 1.6186691496547778
Energy: 1.486393628521868
Energy: 1.4869708653630915
Energy: 1.601164201833268
Energy: 1.494873353202402
Energy: 1.5529384907767438
Energy: 1.5638210552531335
Energy: 1.4947759510086054
Energy: 1.556202728783784
Energy: 1.6019619958477287
Energy: 1.5652287062001735
Energy: 1.5478549025322186
Energy: 1.5467231441168974
Energy: 1.5482920920623089
Energy: 1.5508581555425207
Energy: 1.7884463084748237
Energy: 1.8231965071543734
Energy: 1.8228885943659057
Energy: 1.4805893814867288
Energy: 1.8235515215116818
Energy: 1.8321563110597683
Energy: 1.5220254714896895
Energy: 1.3497390031733554
Energy: 1.5075899515590667
Energy: 1.5212637012958299
Energy: 1.3230629888017391
Energy: 1.5058197974731211
Energy: 1.5024137366037957
Energy: 1.5653343770445847
Energy: 1.5398319952498678
Energy: 1.5021882751418527
Energy: 1.5718584182706126
Energy: 1.5062002602982516
Energy: 1.654412848954732
Energy: 1.730509800285518
Energy: 1.4585618355413057
Energy: 1.7830984161643089
Energy: 1.7295940313712326
Energy: 1.4622817512629644
Energy: 1.6107622227122982
Energy: 1.5670898371127437
Energy: 1.5405414267627995
Energy: 1.5202921923107369
Energy: 1.5668236384173986
Energy: 1.5423390930750738
Energy: 1.6058549134394005
Energy: 1.5213234613485835
Energy: 1.5182865902331177
Energy: 1.5588059130985963
Energy: 1.5577629239945665
Energy: 1.5623484844250481
Energy: 1.757996994754087
Energy: 1.5291271217350717
Energy: 1.5446946259617509
Energy: 1.6062496380068494
Energy: 1.5331618378854153
Energy: 1.4330569319595627
Energy: 1.6620585444534233
Energy: 1.5659449880557765
Energy: 1.572561449382175
Energy: 1.4847313928374521
Energy: 1.616864966473186
Energy: 1.4873274603230353
Energy: 1.661418094895108
Energy: 1.4512882619824667
Energy: 1.5896809163770425
Energy: 1.4865243970036912
Energy: 1.447169395001568
Energy: 1.4071219242682849
Energy: 1.824011314890493
Energy: 1.422601778082648
Energy: 1.4253510113535623
Energy: 1.6010241016260778
Energy: 1.4238236163314035
Energy: 1.4228275658306921
Energy: 1.958794906934048
Energy: 1.4228656018956747
Energy: 1.389603555797155
Energy: 1.3623440482111158
Energy: 1.490815279099014
Energy: 1.3502310127244506
Energy: 1.5586009204087066
Energy: 1.3955092480477012
Energy: 1.395598774016308
Energy: 1.46463352883318
Energy: 1.39570669692918
Energy: 1.3512266637915973
Energy: 1.7911073363998014
Energy: 1.3874611526927763
Energy: 1.5408145962518183
Energy: 1.5825464418145039
Energy: 1.3874630167273632
Energy: 1.371303785469057
Energy: 2.0135736678264404
Energy: 1.5354301627904439
Energy: 1.6898295693829053
Energy: 1.7300022463273186
Energy: 1.5705897111617932
Energy: 1.7305447433993886
Energy: 1.7754680914667837
Energy: 1.5191982052437805
Energy: 1.5194220519657238
Energy: 1.5834956524505357
Energy: 1.5203306457808925
Energy: 1.5500023161553245
Energy: 1.9141953207021112
Energy: 1.5615764697626942
Energy: 1.5637977692613119
Energy: 1.567793380096526
Energy: 1.5749165824558355
Energy: 1.5124930379884616
Energy: 1.8977416113757453
Energy: 1.6021084811355784
Energy: 1.5329870770491556
Energy: 1.532303717978458
Energy: 1.552390804822089
Energy: 1.537070905342333
Energy: 1.8230786528606815
Energy: 1.4843645072112501
Energy: 1.48827712258569
Energy: 1.5686280253770088
Energy: 1.48501649342029
Energy: 1.5765802731423766
Energy: 1.6027478449194779
Energy: 1.484638132111828
Energy: 1.48588456544247
Energy: 1.5507337139171737
Energy: 1.4845950979230063
Energy: 1.5519516718275146
Energy: 1.6023321926503389
Energy: 1.5654954887789025
Energy: 1.550953344355438
Energy: 1.5482554956443921
Energy: 1.5673474319961263
Energy: 1.5493859324668158
Energy: 1.6444510715963303
Energy: 1.2874647863530444
Energy: 1.2865894125547523
Energy: 1.534152574576945
Energy: 1.2845074904664773
Energy: 1.28564059531429
Energy: 1.5208140817167888
Energy: 1.3501135881339
Energy: 1.3218899595408709
Energy: 1.525740196173488
Energy: 1.3508906731429098
Energy: 1.5283736818404583
Energy: 1.502239697042708
Energy: 1.5664351389797246
Energy: 1.5383447477375212
Energy: 1.5028390087911754
Energy: 1.567038980834055
Energy: 1.5080246490319429
Energy: 1.500976680433448
Energy: 1.7317777221636252
Energy: 1.730740137825891
Energy: 1.5021063555182412
Energy: 1.729485911263738
Energy: 1.4592799131152998
Energy: 1.5866244668052771
Energy: 1.566808488518592
Energy: 1.5418462193314317
Energy: 1.5165256536896545
Energy: 1.5763651433523291
Energy: 1.5412513832229235
Energy: 1.5993836494726072
Energy: 1.5594413542723968
Energy: 1.5584140239469293
Energy: 1.5663342958273017
Energy: 1.5566922323302481
Energy: 1.5574749607943206
Energy: 1.586690200055319
Energy: 1.5884418292204703
Energy: 1.4254511954769264
Energy: 1.447152598165934
Energy: 1.4268740860998177
Energy: 1.5852862885014904
Energy: 1.6612221836923868
Energy: 1.5723572304704452
Energy: 1.569801939037855
Energy: 1.4961382789743147
Energy: 1.5692199977712604
Energy: 1.5718997045666576
Energy: 1.662123093583438
Energy: 1.446745275162997
Energy: 1.4077345840611004
Energy: 1.519629572359773
Energy: 1.448893784923421
Energy: 1.4872787937395389
Energy: 1.9886138805824742
Energy: 1.422575406861097
Energy: 1.425022146491544
Energy: 1.4145233946680325
Energy: 1.4235620630700323
Energy: 1.58124069420613
Energy: 2.0949840928587116
Energy: 1.3654078439418122
Energy: 1.299850279581697
Energy: 1.280852671555216
Energy: 1.4090655093469766
Energy: 1.3939918805974394

minimum gb energy = 1.280852671555216 eV
minimum distance =  2.25164202624675 Angstroms
sigma value = 51


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

Energy: 2.114545629067876
Energy: 1.5599536795713542
Energy: 2.211484032582791
Energy: 1.7751093039430659
Energy: 1.4076772147609848
Energy: 1.774778850372496
Energy: 1.7277829272911815
Energy: 1.4216104166011185
Energy: 1.4154561338877247
Energy: 1.3947001616649115
Energy: 1.4074698276092148
Energy: 1.4164516977058936
Energy: 1.905744997576398
Energy: 1.4044361436072497
Energy: 1.4034372163906534
Energy: 1.434339727697125
Energy: 1.4043015384051192
Energy: 1.3488647156829727
Energy: 1.8215948750348654
Energy: 1.403171096173585
Energy: 1.35361521082846
Energy: 1.3802201419491873
Energy: 1.5396615437839933
Energy: 1.3781254594390573
Energy: 1.7736790249785992
Energy: 1.4829875950772269
Energy: 1.4841566123950414
Energy: 1.3412409019038796
Energy: 1.4835517694317832
Energy: 1.4319515394025184
Energy: 1.612092326097189
Energy: 1.4333219746537282
Energy: 1.432025382941467
Energy: 1.4305976880883022
Energy: 1.468097531428348
Energy: 1.4307236842446434
Energy: 1.6123233567109807
Energy: 1.402417970256946
Energy: 1.4319384614933792
Energy: 1.432691398571096
Energy: 1.4330057962587608
Energy: 1.4312855625929028
Energy: 1.6227466031481348
Energy: 1.2984906932289957
Energy: 1.29430501403975
Energy: 1.518724826410064
Energy: 1.2991529939109918
Energy: 1.2979925181321574
Energy: 1.4037019831685316
Energy: 1.2966134975209223
Energy: 1.2967368170104796
Energy: 1.4037711493060396
Energy: 1.2944857931271325
Energy: 1.4009377641476095
Energy: 1.4012679293193664
Energy: 1.3619368286240248
Energy: 1.4158111876458384
Energy: 1.4012694731600719
Energy: 1.3557968001744203
Energy: 1.4160128269606316
Energy: 1.4000885805380758
Energy: 1.5182785175566285
Energy: 1.5179855706667722
Energy: 1.405833449936002
Energy: 1.402466780844664
Energy: 1.5014535722162756
Energy: 1.464599239063692
Energy: 1.361251009857333
Energy: 1.415754318305063
Energy: 1.4156920049233952
Energy: 1.338535963280458
Energy: 1.4158964105235143
Energy: 1.4426211104495117
Energy: 1.3354204298138426
Energy: 1.3322325866154656
Energy: 1.4276365725187765
Energy: 1.4193515694122631
Energy: 1.4286753129349072
Energy: 1.443962402079561
Energy: 1.6783834779320812
Energy: 1.677880137294802
Energy: 1.43373758509485
Energy: 1.6785435975865672
Energy: 1.4864683978346749
Energy: 1.7280251279803114
Energy: 1.3880794053184855
Energy: 1.3760082819499888
Energy: 1.3802708163803337
Energy: 1.4009103049551255
Energy: 1.3751102273053333
Energy: 1.7399475536917774
Energy: 1.434435623965725
Energy: 1.4336575063952004
Energy: 1.568863675857647
Energy: 1.433505966569376
Energy: 1.451766010584375
Energy: 1.7521231558072907
Energy: 1.434376060758489
Energy: 1.4342602911944504
Energy: 1.4818481484611532
Energy: 1.4346805569273768
Energy: 1.4512088370819691
Energy: 1.9403689055538094
Energy: 1.4157202994128781
Energy: 1.3929508684049274
Energy: 1.2903807080151652
Energy: 1.420682336721865
Energy: 1.3995754922791501

minimum gb energy = 1.2903807080151652 eV
minimum distance =  2.32784351837155 Angstroms
sigma value = 19


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

Energy: 1.8551714033340463
Energy: 1.4949168941179738
Energy: 1.5433238276544725
Energy: 1.5449116184955984
Energy: 1.625610517758491
Energy: 1.6205856531222917
Energy: 1.903919649765883
Energy: 1.34086947532175
Energy: 1.3409585978661107
Energy: 1.279743752424937
Energy: 1.3408061798659947
Energy: 1.3413392282703007
Energy: 2.0001992733140974
Energy: 1.3941144884543581
Energy: 1.3600720028290971
Energy: 1.336132430076192
Energy: 1.3408602781702756
Energy: 1.3943164622032624
Energy: 1.5565823754730996
Energy: 1.4210299545287306
Energy: 1.4203724122806067
Energy: 1.470518587546378
Energy: 1.4202884155702504
Energy: 1.373110127479176
Energy: 1.997514129774287
Energy: 1.4281667940883975
Energy: 1.4226748164397525
Energy: 1.2686701297191654
Energy: 1.4204768441042535
Energy: 1.4295850813587019
Energy: 1.6631741360201302
Energy: 1.3051085282655341
Energy: 1.438652715831563
Energy: 1.4103262652771482
Energy: 1.3050040486357328
Energy: 1.404525164649924
Energy: 1.665084173042115
Energy: 1.459287746128275
Energy: 1.4079349834566692
Energy: 1.4089045982629826
Energy: 1.3804545566600936
Energy: 1.4018907408075136
Energy: 1.5662396826490432
Energy: 1.1367975319440877
Energy: 1.1392632861274476
Energy: 1.5700799245851158
Energy: 1.2537134817355704
Energy: 1.1688925766097742
Energy: 1.4089842242174841
Energy: 1.139628798389449
Energy: 1.1507789078473587
Energy: 1.409208591049236
Energy: 1.138370120580141
Energy: 1.2227480413442113
Energy: 1.408754033179191
Energy: 1.4084729824315938
Energy: 1.410085831616371
Energy: 1.408805757469649
Energy: 1.5591751905567566
Energy: 1.4109410967965985
Energy: 1.4101892817072208
Energy: 1.4712459776202862
Energy: 1.4714738073206746
Energy: 1.4708871692670569
Energy: 1.4719317200626112
Energy: 1.4547582884799053
Energy: 1.5681261783124003
Energy: 1.518701714494984
Energy: 1.4632464324295302
Energy: 1.42952090041413
Energy: 1.4294117325033937
Energy: 1.431496733656114
Energy: 1.3046069518802845
Energy: 1.4105781015305512
Energy: 1.5427715157257587
Energy: 1.3048191255895778
Energy: 1.4125136761938242
Energy: 1.542340831495376
Energy: 1.5698597832916859
Energy: 1.5495194042849416
Energy: 1.5493714963371235
Energy: 1.4539246613490966
Energy: 1.5489329138661978
Energy: 1.5513247587419197
Energy: 1.8115156515067456
Energy: 1.4097514689541282
Energy: 1.4099632173747583
Energy: 1.1385363985365593
Energy: 1.4092025578756697
Energy: 1.2227620122388212
Energy: 1.755611396178158
Energy: 1.458261287287751
Energy: 1.2529435279813088
Energy: 1.5459489682808798
Energy: 1.4063075536653038
Energy: 1.3709970337420536
Energy: 1.9231969220726244
Energy: 1.4087259309757423
Energy: 1.4106965926668746
Energy: 1.4433026327795409
Energy: 1.4093838086149462
Energy: 1.4107416330738054
Energy: 1.5535169706964982
Energy: 1.4095783309494108
Energy: 1.4098494213742432
Energy: 1.4705526289857416
Energy: 1.4094174142157292
Energy: 1.4095122157484479
Energy: 1.5535754509424633
Energy: 1.4040806905136722
Energy: 1.4044249010391874
Energy: 1.4706750303874998
Energy: 1.4035351501136204
Energy: 1.5154861587878
Energy: 1.6684509120945286
Energy: 1.3049495884826507
Energy: 1.481619196914565
Energy: 1.4689116035818988
Energy: 1.3048355052223317
Energy: 1.5165020659033754
Energy: 1.6314469609963456
Energy: 1.4109150404673232
Energy: 1.4655788573812536
Energy: 1.5483039345823923
Energy: 1.4418556046898838
Energy: 1.5574398453785938
Energy: 1.6658898779075972
Energy: 1.4592971500057472
Energy: 1.4626384495556133
Energy: 1.4104408253696483
Energy: 1.4592905372934637
Energy: 1.4109442876649134
Energy: 1.6684558423287172
Energy: 1.544600885712667
Energy: 1.544376516110889
Energy: 1.5083951241795794
Energy: 1.5450358880246529
Energy: 1.5442269931132586
Energy: 1.4047255564757413
Energy: 1.3588628948960262
Energy: 1.4095908409205853
Energy: 1.4084188358462106
Energy: 1.2656336248704838
Energy: 1.4050804110681259
Energy: 1.4045783344321487
Energy: 1.4866611418209126
Energy: 1.4093897204252366
Energy: 1.4081552388737617
Energy: 1.4380653113993065
Energy: 1.404643723668983
Energy: 1.5788483913905438
Energy: 1.4719651470201345
Energy: 1.4715330404323705
Energy: 1.5849587473241633
Energy: 1.4710337255572952
Energy: 1.2700316586604885
Energy: 1.6493958168435587
Energy: 1.5360313888714006
Energy: 1.4702064112077124
Energy: 1.306509344350105
Energy: 1.4713948318432817
Energy: 1.4027907668910993
Energy: 1.3048055257148932
Energy: 1.40527455632105
Energy: 1.342624020936521
Energy: 1.3047794382991538
Energy: 1.3945352983736694
Energy: 1.4586235650744495
Energy: 1.6508462494209317
Energy: 1.3434112663409445
Energy: 1.3411385653523613
Energy: 1.304137204947101
Energy: 1.3441020630450904
Energy: 1.3973565743596128
Energy: 1.888057162532122
Energy: 1.376559008601804
Energy: 1.1688376723651936
Energy: 1.1379571079553192
Energy: 1.5038308984929925
Energy: 1.2158195725256595

minimum gb energy = 1.1367975319440877 eV
minimum distance =  2.34763141568312 Angstroms
sigma value = 27


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

Energy: 1.4863354982245678
Energy: 1.4720873997776727
Energy: 1.4741586896067338
Energy: 1.3996288983831124
Energy: 1.2875835213990965
Energy: 2.020424014614927
Energy: 1.3436394520203483
Energy: 1.2957655523117504
Energy: 1.2958982365074867
Energy: 1.2481370893776522
Energy: 1.2957562769180915
Energy: 1.2955184004414686
Energy: 1.3475844340853917
Energy: 1.2867297996665028
Energy: 1.2848803475182917
Energy: 1.2773432418869086
Energy: 1.2861059805674713
Energy: 1.2846439576515039
Energy: 1.1983908716740586
Energy: 1.2285102714196836
Energy: 1.2298042561198266
Energy: 1.2778044486917315
Energy: 1.5984906535844379
Energy: 1.2282548616255886
Energy: 1.4920699507757087
Energy: 1.3636658950407643
Energy: 1.2491863043274698
Energy: 1.3821776461263997
Energy: 1.363181460223785
Energy: 1.1367141998862678
Energy: 1.2849972395267877
Energy: 1.3647694341972225
Energy: 1.3652121990075365
Energy: 1.2849398578476097
Energy: 1.4030970652094779
Energy: 1.1412321726732186
Energy: 1.285900714640446
Energy: 1.1937347288192852
Energy: 1.1937065833159144
Energy: 1.2862111315144644
Energy: 1.248013217153433
Energy: 1.2866853862411067
Energy: 1.3609660389323341
Energy: 1.2239094093280096
Energy: 1.2244683170464843
Energy: 1.3610944477075944
Energy: 1.222891121593341
Energy: 1.282976264102033
Energy: 1.3484864354789436
Energy: 1.2243960257091604
Energy: 1.2617206926201547
Energy: 1.3565227546737382
Energy: 1.27192932214913
Energy: 1.2614630629352923
Energy: 1.3492592286531622
Energy: 1.2560614381025523
Energy: 1.2013066394709226
Energy: 1.2999340375848483
Energy: 1.3010920469268583
Energy: 1.3010549762585562
Energy: 1.3472469177666666
Energy: 1.309214181167446
Energy: 1.3111380013529061
Energy: 1.3006842646935781
Energy: 1.3082819610119214
Energy: 1.3108388904101107
Energy: 1.3471163514022435
Energy: 1.2851075538548011
Energy: 1.2851963887165472
Energy: 1.2481224272812261
Energy: 1.28492650642588
Energy: 1.2854344491224707

minimum gb energy = 1.1367141998862678 eV
minimum distance =  2.31895387506789 Angstroms
sigma value = 9


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

Energy: 2.2792195825615718
Energy: 1.342730755761407
Energy: 1.3384846155902372
Energy: 1.5978822182341796
Energy: 1.5931778898585485
Energy: 1.4847245014079717
Energy: 1.3279665578375193
Energy: 1.1261452297877828
Energy: 1.1266368004077782
Energy: 1.0931222990857214
Energy: 1.1262555257604805
Energy: 1.1266194722229184
Energy: 1.1363033930959492
Energy: 1.1069679136386656
Energy: 1.1074140517372877
Energy: 1.0728018963137425
Energy: 1.1065423423524239
Energy: 1.1075379753830206
Energy: 1.4851859248931185
Energy: 1.0698557340802022
Energy: 1.1865401504774367
Energy: 1.0686799198787658
Energy: 1.295471424778884
Energy: 1.3082769081825385
Energy: 1.314111765041568
Energy: 1.1611880616235037
Energy: 1.3359960769864487
Energy: 1.1574943269638092
Energy: 1.2019846596596662
Energy: 1.2467001891554266
Energy: 1.173903400610126
Energy: 1.429240417001111
Energy: 1.2497571390936604
Energy: 1.1742764201549831
Energy: 1.4225832950231665
Energy: 1.1227527933761274
Energy: 1.1715080741936128
Energy: 1.0950400522919184
Energy: 1.2136579021359308
Energy: 1.1719952526820518
Energy: 1.1165841069151061
Energy: 1.1724211151031847
Energy: 1.1627080236205185
Energy: 1.2951542051546625
Energy: 1.1644195861621718
Energy: 1.163418009740013
Energy: 1.2905893706519036
Energy: 1.1596756298143172
Energy: 1.1077348222910872
Energy: 1.141891777118906
Energy: 1.2307622341135989
Energy: 1.099021711571913
Energy: 1.1830401290762618
Energy: 1.1383075491774737
Energy: 1.7483831111164525
Energy: 1.1975942176182994
Energy: 1.1649489423266517
Energy: 0.9752903126237206
Energy: 1.2713958507396341
Energy: 1.1549752958729134
Energy: 1.053280469354864
Energy: 1.1589953844439178
Energy: 1.1590882621557006
Energy: 0.9754331593437255
Energy: 1.158761888692235
Energy: 1.1588583924072215
Energy: 1.1088362337045239
Energy: 1.176203618504194
Energy: 1.1765750665544872
Energy: 1.1158946451119796
Energy: 1.1756176332117352
Energy: 1.1750627499239028
Energy: 2.007852129345436
Energy: 1.1399743017134132
Energy: 1.33027507206022
Energy: 1.3157182840982595
Energy: 1.1421415439519005
Energy: 1.3250907309562372
Energy: 1.228214455704094
Energy: 1.1714894531667586
Energy: 1.133351676848872
Energy: 1.1162679471941241
Energy: 1.1718705585663025
Energy: 1.108198251587858
Energy: 1.1071630450986438
Energy: 1.1751738083232004
Energy: 1.1814127467868984
Energy: 1.1071769645311493
Energy: 1.1744460880512424
Energy: 1.3671865300637482
Energy: 1.1269893837823175
Energy: 1.1401047886086282
Energy: 1.1507387569823808
Energy: 1.1281097873120334
Energy: 1.1257719161221877
Energy: 1.1264483436210553
Energy: 1.1258909677201634
Energy: 1.2745606537859282
Energy: 1.1754996092594385
Energy: 1.126024926587196
Energy: 1.1429141647357224
Energy: 1.1267359378429627
Energy: 1.1364228330336177
Energy: 1.1261514114097644
Energy: 1.1747802581012763
Energy: 1.1380204549277964
Energy: 1.1620807961253667
Energy: 1.1743170687324298
Energy: 1.1357202430620785
Energy: 1.1269254470256016
Energy: 1.1102169859038404
Energy: 1.107672045456891
Energy: 1.1245894611373828
Energy: 1.161939431778581
Energy: 1.1361276477976727
Energy: 1.1063665332480834
Energy: 1.1070978473220672
Energy: 1.1060596223489123
Energy: 1.1058401950203225
Energy: 1.1357885127384513
Energy: 1.1361683779421734
Energy: 1.1080542069306012
Energy: 1.107869511412532
Energy: 1.1082111619525963
Energy: 1.1079099751725345
Energy: 1.1281047950500898
Energy: 1.1987423513999178
Energy: 1.1252816317305978
Energy: 1.1842487697994377
Energy: 1.201457106607281
Energy: 1.1378596337333013
Energy: 1.0804783864405902
Energy: 1.191870918377419
Energy: 1.126151172832832
Energy: 1.126402573288406
Energy: 1.208497291109028
Energy: 1.125915532723079
Energy: 1.2564645329350228
Energy: 1.136136129844683
Energy: 1.1069177719848016
Energy: 1.1071767641043244
Energy: 1.124144393867096
Energy: 1.107026087483686
Energy: 1.1078470539500092
Energy: 1.4753697390335712
Energy: 1.106409523662089
Energy: 1.3502887781940998
Energy: 1.3556089076865836
Energy: 1.1119775713328712
Energy: 1.3515572350563734
Energy: 1.4070653816311909
Energy: 1.0962890065099022
Energy: 1.0863775293230413
Energy: 1.1339548143771008
Energy: 1.0897080051969434
Energy: 1.174162358040545
Energy: 1.297694033102679
Energy: 1.519368243616481
Energy: 1.5176223552461132
Energy: 1.298342055428406
Energy: 1.518513834004177
Energy: 1.2823059576980447
Energy: 1.17713611013491
Energy: 1.1995884627564637
Energy: 1.1614749330841971
Energy: 1.1754871554950825
Energy: 1.0966173062329263
Energy: 1.1747912124977593
Energy: 1.1596835417052132
Energy: 1.2068918669181545
Energy: 1.1971400825623564
Energy: 1.1595826611900237
Energy: 1.1419049814576447
Energy: 1.1602828845211455
Energy: 1.2711154154819215
Energy: 1.2951902897635057
Energy: 1.2309116872058956
Energy: 1.271260420865781
Energy: 1.2907340284058586
Energy: 1.164760192747652
Energy: 1.0525490029145843
Energy: 1.1654300187178586
Energy: 1.1647148525019215
Energy: 1.081726579388833
Energy: 1.197109475174246
Energy: 1.2589436316846998
Energy: 1.7484303165402288
Energy: 1.1592254153273152
Energy: 1.1582022400981182
Energy: 1.0259601088435362
Energy: 1.1584757771170993
Energy: 1.1547294967367043
Energy: 1.126504788715475
Energy: 1.171217606884035
Energy: 1.1713752796636068
Energy: 1.1160542080111269
Energy: 1.1710765849604727
Energy: 1.1710359440705909
Energy: 1.472394978124329
Energy: 1.1755615429401725
Energy: 1.175619023887508
Energy: 1.1033373503113717
Energy: 1.1757606110021093
Energy: 1.1284973890819074
Energy: 1.1236155540656219
Energy: 1.1758421374285195
Energy: 1.175681594630669
Energy: 1.1043997558560872
Energy: 1.1758779991692316
Energy: 1.3381690260783679
Energy: 1.2952550618187966
Energy: 1.1480057622877222
Energy: 1.0936643942429713
Energy: 1.2954201415766684
Energy: 1.1492334900511039
Energy: 1.188793220163667
Energy: 1.1298268994069944
Energy: 1.0935701170623957
Energy: 1.104958030993375
Energy: 1.1305178583859938
Energy: 1.1217102496076525
Energy: 1.1074094271261792
Energy: 1.1251063268782027
Energy: 1.1242214938728625
Energy: 1.078890577579765
Energy: 1.1253479240855095
Energy: 1.1133513009227112
Energy: 1.125986227354532
Energy: 1.5305922537210392
Energy: 1.4891687887126301
Energy: 1.487219454461908
Energy: 1.5307908464083306
Energy: 1.3867091825774749
Energy: 1.133638764420366
Energy: 1.134973540817581
Energy: 1.1243943198468693
Energy: 1.0791174163062984
Energy: 1.125029119301823
Energy: 1.1048850369168965
Energy: 1.1570160915642753
Energy: 1.1349528615588933
Energy: 1.1086375246099005
Energy: 1.0797132521053407
Energy: 1.1157551645815433
Energy: 1.1082253282261607
Energy: 1.1182291916785796
Energy: 1.136106290577345
Energy: 1.10700118331967
Energy: 1.1068067451463037
Energy: 1.1079096240959074
Energy: 1.1065646490230765
Energy: 1.1349859050200284
Energy: 1.191734289821847
Energy: 1.1259869539436131
Energy: 1.1263812514105174
Energy: 1.2068022008580352
Energy: 1.125879611098299
Energy: 1.2567184247235241

minimum gb energy = 0.9752903126237206 eV
minimum distance =  2.25878756385135 Angstroms
sigma value = 57


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

Energy: 0.6736278491180534
Energy: 0.6645242765711041
Energy: 0.6451546908480775
Energy: 0.5295206702589416
Energy: 0.9512658345885987
Energy: 0.6751637575103606
Energy: 0.6745609232842421
Energy: 0.851051172460022
Energy: 0.8529499757932171
Energy: 0.8159587769379851
Energy: 0.8215673671673033
Energy: 0.8691917860474696
Energy: 0.916499934605084
Energy: 0.8616541004427108
Energy: 0.8606648367013565
Energy: 0.8717067395421753
Energy: 0.8610107432580646
Energy: 0.8602969465155702
Energy: 0.9161691954262373
Energy: 0.8538795065237206
Energy: 0.8705433394255008
Energy: 0.8703297911375146
Energy: 0.8704178326388357
Energy: 0.8540053644616473
Energy: 0.9118843839141642
Energy: 0.5266633243407296
Energy: 0.5749062533451779
Energy: 0.935951912947449
Energy: 0.5263434366214447
Energy: 0.8958604062915515
Energy: 0.8636144780254251
Energy: 0.5263245897308235
Energy: 0.5267141132837062
Energy: 0.9082696836570179
Energy: 0.5262271192113882
Energy: 0.5743830450022208
Energy: 0.8580565673096736
Energy: 0.8181480411009974
Energy: 0.8763034978882163
Energy: 0.8589466964160815
Energy: 0.8573613206059009
Energy: 0.8934938025296193
Energy: 0.8641415077656642
Energy: 0.9391546279696625
Energy: 0.9384933103712926
Energy: 0.8638138205508756
Energy: 0.9392244745863245
Energy: 0.8640974794188985
Energy: 0.9267730564541318
Energy: 0.8973974133355159
Energy: 0.8601863865181928
Energy: 0.857968446838478
Energy: 0.8614045552694092
Energy: 0.8592235247560872
Energy: 0.5260573748969612
Energy: 0.8645742036870134
Energy: 0.5765536110166307
Energy: 0.5261656409219126
Energy: 0.8648240029587448
Energy: 0.5289106684258618
Energy: 0.5261800629429249
Energy: 0.8269025803978063
Energy: 0.8279664541126355
Energy: 0.5263158939918872
Energy: 0.8263200446738157
Energy: 0.5747959607433117
Energy: 0.9301103484952706
Energy: 0.8625109327880374
Energy: 0.8981585844952548
Energy: 0.9454572784759365
Energy: 0.8617680946216153
Energy: 0.8983139959876784
Energy: 0.9293795661744414
Energy: 0.9371142931310449
Energy: 0.936940269475059
Energy: 0.9374841486581409
Energy: 0.9314804489464277
Energy: 0.9370787913949423
Energy: 0.9260634433239427
Energy: 0.8570292350327575
Energy: 0.8576986378533846
Energy: 0.9282866147306135
Energy: 0.8573517427610428
Energy: 0.8594562781312828
Energy: 0.9047567294985989
Energy: 0.5259640133997459
Energy: 0.5261477253136598
Energy: 0.8456872862196662
Energy: 0.5263029790221431
Energy: 0.5270341046443967
Energy: 0.8478005100059122
Energy: 0.8710350311749736
Energy: 0.8996065041516517
Energy: 0.8698179395614276
Energy: 0.526360116073175
Energy: 0.8451065140968174
Energy: 0.8488809420189057
Energy: 0.8151464619120414
Energy: 0.902661873805016
Energy: 0.8711560244822867
Energy: 0.8612011496657925
Energy: 0.8495515673182206
Energy: 0.9490871169165256
Energy: 0.9322067081645121
Energy: 0.9298236966725161
Energy: 0.939310055189043
Energy: 0.8605740605754647
Energy: 0.8542701797776471
Energy: 0.6745207269817154
Energy: 0.9918950653118931
Energy: 0.9571976501548922
Energy: 0.5263334039197001
Energy: 1.0038134632490419
Energy: 0.8592042472408518

minimum gb energy = 0.5259640133997459 eV
minimum distance =  2.36491232591183 Angstroms
sigma value = 11


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

Energy: 1.8410259642277016
Energy: 1.8861314873131274
Energy: 1.263021853916902
Energy: 1.6368344306332436
Energy: 1.7635276731108411
Energy: 1.2627094298330441
Energy: 0.955820808325798
Energy: 0.9239878079119748
Energy: 0.9784312391667832
Energy: 0.9848594177036702
Energy: 0.9238939172947493
Energy: 1.0217000988558147
Energy: 0.9247759271886649
Energy: 0.9254534567072656
Energy: 0.9544110181778169
Energy: 0.9262549317228458
Energy: 0.9260200421780499
Energy: 0.9545723214262722
Energy: 0.9247489337996626
Energy: 1.005619426443845
Energy: 1.0582521918121914
Energy: 0.9258971791463704
Energy: 0.9274214734708143
Energy: 0.9528847201421399
Energy: 0.9260271263534429
Energy: 1.0723310257338272
Energy: 1.0239083003773546
Energy: 0.9260537226646053
Energy: 1.1484108263219213
Energy: 0.9804937700010237
Energy: 1.2431292478515792
Energy: 1.3250397285321078
Energy: 1.326240468147859
Energy: 1.2421345899844203
Energy: 1.3248351909896579
Energy: 1.012728232204804
Energy: 1.0026180360333161
Energy: 0.9682500243635705
Energy: 1.0394323011435804
Energy: 0.9248155114868618
Energy: 1.011145220321266
Energy: 1.0087503234664426
Energy: 0.9557410317566466
Energy: 1.0176798988907498
Energy: 1.0187186833470188
Energy: 0.956403536578426
Energy: 1.0172007939836893
Energy: 1.192718603063506
Energy: 1.2407386091522463
Energy: 1.0100597925879655
Energy: 0.9545578660977009
Energy: 0.9563007745017368
Energy: 1.009970473493424
Energy: 0.9466459063989998
Energy: 1.586228558535859
Energy: 1.0139979738025418
Energy: 1.014752937117314
Energy: 1.4888346166903907
Energy: 1.0144608161878994
Energy: 1.1457615935887893
Energy: 1.310255525754303
Energy: 1.0098853925536946
Energy: 1.0368156421619013
Energy: 1.146907405960493
Energy: 1.2364548914955502
Energy: 1.0365950214924424
Energy: 1.2414563447536615
Energy: 0.8896847981603838
Energy: 1.005523011627908
Energy: 1.241023937813709
Energy: 0.8934290532846362
Energy: 0.9846859111988263
Energy: 1.1534739966263927
Energy: 0.8912547173260211
Energy: 1.0408957106100836
Energy: 1.1538586210478128
Energy: 0.8935677734944485
Energy: 1.153632336799748
Energy: 1.15005967289334
Energy: 0.9840303368972636
Energy: 1.1049099041444732
Energy: 1.1481959522667133
Energy: 1.0823021407987723
Energy: 1.0903929194537674
Energy: 1.148014670866813
Energy: 1.4817655436433217
Energy: 1.4846725278239745
Energy: 1.1480191117051213
Energy: 1.4714751456501651
Energy: 1.1477579441083143
Energy: 1.5809387354271498
Energy: 1.0605556921121644
Energy: 1.004170638247238
Energy: 1.4039353336883555
Energy: 1.1485224846984774
Energy: 1.1230133646081621
Energy: 1.3659986356683849
Energy: 1.4871080162591905
Energy: 1.3295812033039849
Energy: 1.3344836857346718
Energy: 1.603064038722509
Energy: 1.163127455209939
Energy: 1.6328670779063394
Energy: 1.1469599256058916
Energy: 1.1441278485815218
Energy: 1.130062560894036
Energy: 1.1469640853215282
Energy: 1.051112970708635
Energy: 1.3410322173461868
Energy: 1.0628417031258255
Energy: 1.062523538288346
Energy: 1.0112852677196666
Energy: 1.1490651514907932
Energy: 1.0345831893965207
Energy: 1.16114976045348
Energy: 1.3569775153821515
Energy: 1.1778184414648332
Energy: 1.1594107745305215
Energy: 1.33885937983496
Energy: 1.2633896270859017
Energy: 1.5803683977273282
Energy: 1.1359473805908726
Energy: 1.0035866917217258
Energy: 1.168069522812308
Energy: 1.1644982036636577
Energy: 1.036337571525076
Energy: 1.013766896521002
Energy: 1.3359642967210863
Energy: 1.3279878615198835
Energy: 1.0137002771743684
Energy: 1.3380890146025488
Energy: 1.2036745912963374
Energy: 1.013043737337834
Energy: 0.950396182813827
Energy: 1.0240809961787074
Energy: 1.0129286330336924
Energy: 0.994300950080361
Energy: 1.026104416311942
Energy: 1.0156816923673329
Energy: 0.9557830413844205
Energy: 1.01154831965964
Energy: 1.0180720520599662
Energy: 0.9279027620680287
Energy: 1.0116649780744598
Energy: 0.9248306359562145
Energy: 0.9247958464557872
Energy: 0.9253029495876781
Energy: 0.9262922760320478
Energy: 0.9260548813760892
Energy: 1.0445887357512162
Energy: 1.5298416942690964
Energy: 0.9526835652246574
Energy: 0.9794681630169159
Energy: 1.1665852710136915
Energy: 0.9274003423680719
Energy: 0.9487635320687736

minimum gb energy = 0.8896847981603838 eV
minimum distance =  2.32700929558426 Angstroms
sigma value = 41


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

Energy: 1.7875616355391843
Energy: 1.0672115109933469
Energy: 1.0671838566966532
Energy: 1.4237167481766442
Energy: 1.1146149282929116
Energy: 1.3664434846015538
Energy: 1.0723987556371268
Energy: 1.022436196893754
Energy: 1.0890366548069497
Energy: 1.0476396766095741
Energy: 1.0222837381155798
Energy: 1.0560590421459901
Energy: 1.0251515183715927
Energy: 1.0256973966486789
Energy: 1.0260357042765516
Energy: 1.0249901184329138
Energy: 1.0245683428132497
Energy: 1.0825164077953098
Energy: 1.024342914005939
Energy: 1.1039580677752447
Energy: 1.1031977006206062
Energy: 1.024041402760296
Energy: 1.023033724886097
Energy: 1.066204603289859
Energy: 1.02312856006881
Energy: 1.1530322667741142
Energy: 1.1092313917281853
Energy: 1.022970151367246
Energy: 1.116405103894128
Energy: 1.0836922855862094
Energy: 1.4441315162773882
Energy: 1.2051391519161776
Energy: 1.1663332969870444
Energy: 1.4448471885838214
Energy: 1.2051449986940876
Energy: 1.1666457108613093
Energy: 1.1473897518202543
Energy: 1.0252640774736423
Energy: 1.0235260501274914
Energy: 1.0227783852915662
Energy: 1.0675458262320074
Energy: 1.1264190483519525
Energy: 1.0729737105413508
Energy: 1.1900779157353094
Energy: 1.190240180136258
Energy: 1.0735008792556975
Energy: 1.1900199613518503
Energy: 1.1047743024502599
Energy: 1.4409566475268456
Energy: 1.1331539560031456
Energy: 1.0766418053131581
Energy: 1.0593398515412107
Energy: 1.1174760001702149
Energy: 1.0560973648717948
Energy: 1.3925717042297736
Energy: 1.1665186049127794
Energy: 1.166864038702024
Energy: 1.2986380347217656
Energy: 1.1666396030841675
Energy: 1.0251217262717367
Energy: 1.4586898771860681
Energy: 1.0244292232207937
Energy: 1.057187821949977
Energy: 1.0225355642555998
Energy: 1.0486440965306743
Energy: 1.1161958824521172
Energy: 1.6257312351531983
Energy: 1.0067302328567442
Energy: 1.1222774155529704
Energy: 1.4427746456639363
Energy: 0.9691188763500965
Energy: 1.0627908678030933
Energy: 1.1668440173377954
Energy: 0.9694710505019969
Energy: 1.3413142335999915
Energy: 1.1668758720803407
Energy: 0.9695329794796821
Energy: 1.341477525374665
Energy: 1.117577633858817
Energy: 1.1021890613419107
Energy: 1.0550884235868276
Energy: 1.117810279762649
Energy: 1.0830724338899769
Energy: 1.0898606547802683
Energy: 1.1763774095188706
Energy: 1.3318599316478603
Energy: 1.2956981409794572
Energy: 1.1768601100615352
Energy: 1.3047773513835812
Energy: 1.1764739647603881
Energy: 1.0224240419935027
Energy: 1.023964490880573
Energy: 1.1260164022239074
Energy: 1.086424204342888
Energy: 1.022649102076257
Energy: 1.0236454928322662
Energy: 1.7113064192603349
Energy: 1.5518326872955426
Energy: 0.9700833574676534
Energy: 1.4079441834820967
Energy: 1.5143086024315697
Energy: 1.3747872658703646
Energy: 1.071804169867621
Energy: 1.0231171527647345
Energy: 1.0899132067177646
Energy: 1.2612155636387907
Energy: 1.0229582506740893
Energy: 1.048193472602214
Energy: 1.0234716031888573
Energy: 1.0254350632766165
Energy: 1.0260268249017186
Energy: 1.023295504823057
Energy: 1.02416527711165
Energy: 1.0941033679542085
Energy: 1.025202629307007
Energy: 1.0941431819998448
Energy: 1.021889118683046
Energy: 1.025428145663908
Energy: 1.0237653468977217
Energy: 1.0253736131048603
Energy: 1.022357962961869
Energy: 1.0585988879433865
Energy: 1.0580332011078835
Energy: 1.0223162519369766
Energy: 1.1339818821468308
Energy: 1.1263440930881778
Energy: 1.7056161338226437
Energy: 1.2051408413291813
Energy: 1.2047654286237184
Energy: 1.7047291836466518
Energy: 1.6726344770980137
Energy: 1.2046222372569548
Energy: 1.4394315484865743
Energy: 1.0750124643978456
Energy: 1.058214154950353
Energy: 1.0222663428880392
Energy: 1.1576329371359122
Energy: 1.1263044357884346
Energy: 1.072698055320899
Energy: 1.2022566253275446
Energy: 1.1956350907835118
Energy: 1.0732204831849677
Energy: 1.1767443985816082
Energy: 1.1828954397459561
Energy: 1.4415065035149728
Energy: 1.024629757921833
Energy: 1.0566154291092507
Energy: 1.0228608311587037
Energy: 1.1187230973076359
Energy: 1.0556363925606496
Energy: 1.4584741844101168
Energy: 1.024186951594295
Energy: 1.0249766332113717
Energy: 1.0223482830996644
Energy: 1.1665858480119033
Energy: 1.116080988277404
Energy: 1.392667043947406
Energy: 1.1667601077023138
Energy: 1.0242748741693282
Energy: 1.299491949179463
Energy: 1.4411239024907259
Energy: 1.0560598171322029
Energy: 1.4413424686396894
Energy: 1.007365338017692
Energy: 1.1156999628950448
Energy: 1.0256389616217574
Energy: 0.9685787920636938
Energy: 1.0558194476620766
Energy: 1.166743128521058
Energy: 1.418902095673407
Energy: 1.3788012221688521
Energy: 1.166686139421417
Energy: 1.4157542111236396
Energy: 1.3783188162979254
Energy: 1.116744809741697
Energy: 1.0553012554700685
Energy: 1.1494996066828442
Energy: 1.1170446096256597
Energy: 1.0563995414152936
Energy: 1.1491935816587124
Energy: 1.1889557872531793
Energy: 1.2737753433261751
Energy: 1.1611303724663198
Energy: 1.1894631394131736
Energy: 1.3111765296729179
Energy: 1.1603604654736206
Energy: 1.0226891129662627
Energy: 1.026573310390807
Energy: 1.0930105528638878
Energy: 1.0227115487494352
Energy: 1.023148945367306
Energy: 1.0669088495655001
Energy: 1.711358694389761
Energy: 1.049625055029618
Energy: 0.9698195203141754
Energy: 1.2406877203065312
Energy: 1.442771943475497
Energy: 1.0441515292948185

minimum gb energy = 0.9685787920636938 eV
minimum distance =  2.32316289944279 Angstroms
sigma value = 33


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

Energy: 1.3812470305311584
Energy: 1.1198603749612277
Energy: 1.1208019893294303
Energy: 1.3843490420416968
Energy: 1.3324853320563772
Energy: 1.120283139498947
Energy: 1.2960160510641754
Energy: 1.123066697504427
Energy: 1.0871039994610718
Energy: 1.0885751879108798
Energy: 1.1260742949338278
Energy: 1.0868416532408238
Energy: 1.1308056186040811
Energy: 1.0909149855577875
Energy: 1.0917798129205767
Energy: 1.1309138675368366
Energy: 1.1792780015972046
Energy: 1.0946859507868967
Energy: 1.1336472499244716
Energy: 1.1328587593407198
Energy: 1.0908764358089806
Energy: 1.1310641549929668
Energy: 1.1769754533332546
Energy: 1.0895084062071643
Energy: 1.127382788871825
Energy: 1.0916356354941843
Energy: 1.0537164370050074
Energy: 1.12352944742297
Energy: 1.1329503162447487
Energy: 1.1904860740322138
Energy: 1.2321120170424011
Energy: 1.0596093936965796
Energy: 1.060598138773907
Energy: 1.231686862509282
Energy: 1.4891927184835299
Energy: 1.0597028090706606
Energy: 1.2945876034184802
Energy: 1.0537345740142763
Energy: 1.091637221341108
Energy: 1.127989690885548
Energy: 1.0906205133559443
Energy: 1.0889738925743424
Energy: 1.1922741263906966
Energy: 1.1023856463154105
Energy: 1.1288824384854508
Energy: 1.1999311825578143
Energy: 1.1037431011087813
Energy: 1.0917625195128076
Energy: 1.1973492901707714
Energy: 1.0511996932450383
Energy: 1.0510855895663787
Energy: 1.2054595390106606
Energy: 1.0538532624398522
Energy: 1.0512745878614072
Energy: 1.2948761130464808
Energy: 1.0571740917821715
Energy: 1.0609116865684989
Energy: 1.130387189684892
Energy: 1.0601022905587192
Energy: 1.054443868856449
Energy: 1.2950947517048554
Energy: 1.1719416717517839
Energy: 1.0914664405462708
Energy: 1.1321317650058658
Energy: 1.1395403653034488
Energy: 1.0907464384091705
Energy: 1.1950509810508811
Energy: 1.0528542806055439
Energy: 1.0517157664293182
Energy: 1.1948269903017426
Energy: 1.0572957552538003
Energy: 1.0525830471631659
Energy: 1.1262808602338352
Energy: 1.0530625545900962
Energy: 1.0514304966686592
Energy: 1.1260190841011444
Energy: 1.056646898591212
Energy: 1.214695033080481
Energy: 1.128402642895313
Energy: 1.169903694828111
Energy: 1.08972663991227
Energy: 1.129920375682445
Energy: 1.2119432502812026
Energy: 1.0885204969235396
Energy: 1.0530279924041013
Energy: 1.2114600931829227
Energy: 1.1286985621575807
Energy: 1.130935088560282
Energy: 1.1803117800248462
Energy: 1.0909677652088716
Energy: 1.1241718421268907
Energy: 1.1260235691392375
Energy: 1.1784471823514313
Energy: 1.137510908946904
Energy: 1.1283577026605038
Energy: 1.0886605939346958
Energy: 1.640498387519827
Energy: 1.2420662572242744
Energy: 1.379207115525482
Energy: 1.4896220471244457
Energy: 1.1651006801601544
Energy: 1.0545603259441694
Energy: 1.1974552733846184
Energy: 1.125339000094777
Energy: 1.1868821213655976
Energy: 1.1301028097281287
Energy: 1.2070164343941763
Energy: 1.0514022016390518
Energy: 1.1313678327590126
Energy: 1.0542644114655235
Energy: 1.0537752521315635
Energy: 1.1325732036832252
Energy: 1.1999320577509198
Energy: 1.0879465531276
Energy: 1.0547108913858283
Energy: 1.0514708124418108
Energy: 1.0513885281167024
Energy: 1.054386955416857
Energy: 1.1998702142480369
Energy: 1.093655548443445
Energy: 1.0535515210262236
Energy: 1.0893690698747565
Energy: 1.0517761066525648
Energy: 1.0543701737152167
Energy: 1.179201015907255
Energy: 1.053294601982551
Energy: 1.3500413774305542
Energy: 1.0636045475601432
Energy: 1.0618952251079454
Energy: 1.349533677048845
Energy: 1.1663316644432187
Energy: 1.3794163380574975
Energy: 1.222446699996917
Energy: 1.1234012544009009
Energy: 1.0908660893570121
Energy: 1.088908765731447
Energy: 1.1250814182546152
Energy: 1.0518600285629622
Energy: 1.2001109364765574
Energy: 1.8686117089578749
Energy: 1.389761129674144
Energy: 1.214156038096934
Energy: 1.818910456993816
Energy: 1.049350147837914
Energy: 1.2955841785878917
Energy: 1.122895734176715
Energy: 1.0885457234341867
Energy: 1.0547748135975603
Energy: 1.1239977479330518
Energy: 1.0887175169542385
Energy: 1.1349225346588692
Energy: 1.1802947974859999
Energy: 1.0884309540950805
Energy: 1.13024327309955
Energy: 1.1309394544731024
Energy: 1.0940623688005167
Energy: 1.1307334001425977
Energy: 1.0925735185436356
Energy: 1.1290076346809501
Energy: 1.1305531070687294
Energy: 1.1794484378215542
Energy: 1.0898028455785171
Energy: 1.1262252243404594
Energy: 1.0531857054420128
Energy: 1.051079577702654
Energy: 1.1268929958386293
Energy: 1.1313233979177544
Energy: 1.087497280734315
Energy: 1.4932804369190815
Energy: 1.060708623206509
Energy: 1.0597851629584598
Energy: 1.4933051604000303
Energy: 1.4899378198778446
Energy: 1.0617216974497483
Energy: 1.197140698287257
Energy: 1.051575464330458
Energy: 1.0511584177353361
Energy: 1.1265140059499292
Energy: 1.0901896761080214
Energy: 1.0899992177010975
Energy: 1.1933610447061107
Energy: 1.0905257130832642
Energy: 1.0704395952722534
Energy: 1.1988445642947847
Energy: 1.0903809782989862
Energy: 1.0683511360367237
Energy: 1.1996675351188035
Energy: 1.0540871410624637
Energy: 1.0528564847471478
Energy: 1.1262849371197674
Energy: 1.0556848434633062
Energy: 1.051848318982288
Energy: 1.295404336547659
Energy: 1.1380209445527154
Energy: 1.1378509948681657
Energy: 1.1304321164977638
Energy: 1.140680558325745
Energy: 1.0930285825277515
Energy: 1.294722229775078
Energy: 1.0898038875190665
Energy: 1.0914404189685725
Energy: 1.1359021117754837
Energy: 1.37687972214653
Energy: 1.092453874915402
Energy: 1.1996083776779387
Energy: 1.0529998663654838
Energy: 1.0520409543661478
Energy: 1.2008169587987731
Energy: 1.0563385936232321
Energy: 1.051349888970553
Energy: 1.133698910939843
Energy: 1.1330752675230238
Energy: 1.0499180182949697
Energy: 1.1326308935892928
Energy: 1.0489256032759962
Energy: 1.049178541974893
Energy: 1.1248573150920336
Energy: 1.1709264722075239
Energy: 1.0901919076627302
Energy: 1.125982782494425
Energy: 1.2115408263561347
Energy: 1.0881856079946635
Energy: 1.0785761435670507
Energy: 1.0909238695056547
Energy: 1.0903118647420997
Energy: 1.0785761568659533
Energy: 1.1315652670075929
Energy: 1.090235993860017
Energy: 1.1250067947993194
Energy: 1.1770922605830634
Energy: 1.1780745748001868
Energy: 1.1383461677422468
Energy: 1.1299295978710657
Energy: 1.0874404091585443
Energy: 1.6409638640485895
Energy: 1.1240868056790287
Energy: 1.160346390044615
Energy: 1.4892240720012844
Energy: 1.124161492794958
Energy: 1.0547480795155761
Energy: 1.1952942137595526
Energy: 1.2431014650417724
Energy: 1.1603403426839145
Energy: 1.1328466938040036
Energy: 1.206709012482658
Energy: 1.0541543788712333
Energy: 1.1286829036376778
Energy: 1.29173350612843
Energy: 1.052719214098965
Energy: 1.1439807645011046
Energy: 1.1993670138749106
Energy: 1.0923268228426872
Energy: 1.0580198092266464
Energy: 1.0496000894633106
Energy: 1.053192853915082
Energy: 1.138792704345905
Energy: 1.2001689327315808
Energy: 1.0527109792189255
Energy: 1.0515695906065488
Energy: 1.0517700485935508
Energy: 1.0546072324043252
Energy: 1.0524036270535009
Energy: 1.1731573080912845
Energy: 1.0508334234705077
Energy: 1.1750957542625204
Energy: 1.0633229771387922
Energy: 1.09118890010248
Energy: 1.1745020030364355
Energy: 1.1653838767584859
Energy: 1.0973730169758256
Energy: 1.1236556346129831
Energy: 1.1789733016822634
Energy: 1.089324816257213
Energy: 1.0550862216338108
Energy: 1.1254248177683308
Energy: 1.0876674516925424
Energy: 1.3886787036105523
Energy: 1.4545538637094244
Energy: 1.0494908717381337
Energy: 1.05852005873075
Energy: 1.4551272614529962
Energy: 1.1342714578510296

minimum gb energy = 1.0489256032759962 eV
minimum distance =  2.30613297646988 Angstroms
sigma value = 67


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

Energy: 1.6058706645220095
Energy: 1.1097702618176448
Energy: 1.1096642558751662
Energy: 1.6099609299896638
Energy: 2.3183227642990385
Energy: 1.109610106299568
Energy: 1.369573557819351
Energy: 1.123032704717495
Energy: 1.1226543167366125
Energy: 1.2313280936409354
Energy: 1.1994074107575898
Energy: 1.1141274187967796
Energy: 1.3585271333099922
Energy: 1.0727424433917006
Energy: 1.127350436098567
Energy: 1.2332203346423056
Energy: 1.0726057879714002
Energy: 1.1273045988620571
Energy: 1.2302930348902958
Energy: 1.125044508682752
Energy: 1.1247494374565854
Energy: 1.2304258407816608
Energy: 1.1410493163884943
Energy: 1.12473830548252
Energy: 1.2099222700502554
Energy: 1.1426248779802197
Energy: 1.1427209895882937
Energy: 1.2104672628667887
Energy: 1.1425508507208209
Energy: 1.1434653267097128
Energy: 1.2116709748762815
Energy: 1.0895142278985743
Energy: 1.2122953379729393
Energy: 1.2118689069793938
Energy: 1.349253702671829
Energy: 1.211754853364244
Energy: 1.3647056745521513
Energy: 1.1419563158269797
Energy: 1.138742296297967
Energy: 1.364731876651242
Energy: 1.2109488099212742
Energy: 1.1123859378338854

minimum gb energy = 1.0726057879714002 eV
minimum distance =  2.35654737602556 Angstroms
sigma value = 3


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

Energy: 2.1135119493080152
Energy: 1.5518690917934768
Energy: 1.3912270001679252
Energy: 1.6429413616726605
Energy: 1.6073312654397554
Energy: 1.39672743531341
Energy: 1.1840064833107953
Energy: 1.3588884426223342
Energy: 1.3055488236676036
Energy: 1.3027682795863575
Energy: 1.4492004668471117
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Energy: 1.256598380272503
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Energy: 1.1932012771491807
Energy: 1.192980805369568
Energy: 1.1997675040084514
Energy: 1.1845938674945036
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Energy: 1.1916055054956354
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Energy: 1.19224187328578
Energy: 1.2611025511803542
Energy: 1.1932236393740596
Energy: 1.1922682028377791
Energy: 1.261277801946533
Energy: 1.1951677153907196
Energy: 1.1926794102539695
Energy: 1.2910264532788436
Energy: 1.194280691053206
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Energy: 1.2486049044940175
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Energy: 1.6168745954057806
Energy: 1.379128538343201
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Energy: 1.3967235250856425
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Energy: 1.2983255483446057
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Energy: 1.3580497528752091
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Energy: 1.3428538677574497
Energy: 1.1947935709330602
Energy: 1.196830354973157
Energy: 1.36287408915551
Energy: 1.1949529136684789
Energy: 1.1968354478458754
Energy: 1.3302842110972584
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Energy: 1.197080899093382
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Energy: 1.1966805303040426
Energy: 1.2915887580576197
Energy: 1.1961130133094868
Energy: 1.1969740916609466
Energy: 1.4516663470582827
Energy: 1.1958411174592478
Energy: 1.2587879220507918
Energy: 1.45392110848114
Energy: 1.2529739998612417
Energy: 1.2583119277404293
Energy: 1.5901226035501164
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Energy: 1.4323655473910306
Energy: 1.3838229149957446
Energy: 1.2659101809537923
Energy: 1.2668744123292484
Energy: 1.383764684386336
Energy: 1.4088480173514937
Energy: 1.2656779335811912
Energy: 1.536775992927235
Energy: 1.4372986939959065
Energy: 1.238609808718802
Energy: 1.380736536078004
Energy: 1.194666059645354
Energy: 1.1933803854294585
Energy: 1.5903417576898813
Energy: 1.2663003181185333
Energy: 1.2390285399177712
Energy: 1.3538043523753311
Energy: 1.2671100397193384
Energy: 1.2259107013496269
Energy: 1.2739953805073203
Energy: 1.2721533603156019
Energy: 1.2656224906230924
Energy: 1.2802661159701232
Energy: 1.2789434528008048
Energy: 1.270451598895329
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Energy: 1.2659825553506
Energy: 1.2742137188449245
Energy: 1.2838840115295838
Energy: 1.2635918555100418
Energy: 1.2753783619137868
Energy: 1.274004349315409
Energy: 1.2699289700401342
Energy: 1.3440874335034996
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Energy: 1.2747134128953665
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Energy: 1.1961116018241054
Energy: 1.2759479131631706
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Energy: 1.1769410481820386
Energy: 1.4471799624951684
Energy: 1.1773791163159457
Energy: 2.000768415499489
Energy: 1.4834646574012134
Energy: 1.363487821488365
Energy: 1.17897096737343
Energy: 1.3851869115212236
Energy: 1.3068699451670038
Energy: 1.317818280897928
Energy: 1.5350404237663133
Energy: 1.3771657238159911
Energy: 1.3185372358921263
Energy: 1.4439683104195886
Energy: 1.1774771561154893
Energy: 1.1772361105535716
Energy: 1.1775874269090825
Energy: 1.17716991808847
Energy: 1.1771417250847782
Energy: 1.4974333045210242
Energy: 1.17752302089616
Energy: 1.2103976816728879
Energy: 1.186421882109505
Energy: 1.1853097841669238
Energy: 1.2100447412376196
Energy: 1.186020747308101
Energy: 1.211537762354333
Energy: 1.2097068410318215
Energy: 1.2493173042406276
Energy: 1.2373884281089231
Energy: 1.2120964291625973
Energy: 1.3773414172095935
Energy: 1.2255776832085525
Energy: 1.2118426688363069
Energy: 1.2668370536146865
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Energy: 1.2124031306602523
Energy: 1.3191880864725902
Energy: 1.2662433456380093
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Energy: 1.265015412888739
Energy: 1.2656554298362919
Energy: 1.2091212452850721
Energy: 1.450777545643188
Energy: 1.2737181998237512
Energy: 1.802677510207
Energy: 1.4037991256945381
Energy: 1.3222363270050708
Energy: 1.1947582864858894
Energy: 1.4036736432207169
Energy: 1.280675677237708
Energy: 1.2501747877301914
Energy: 1.3720161853686288
Energy: 1.1956234062659372
Energy: 1.2772459111261136
Energy: 1.1947819472721908
Energy: 1.1966559075918255
Energy: 1.2697098467941192
Energy: 1.2456273019571393
Energy: 1.246427183093971
Energy: 1.269844980617446
Energy: 1.4260275650608238
Energy: 1.2424420277875914
Energy: 1.396556745817087
Energy: 1.2258812941377415
Energy: 1.2259248259623716
Energy: 1.3968953238984823
Energy: 1.2263010616189
Energy: 1.3520039508122839
Energy: 1.4030939995053484
Energy: 1.1951032162669748
Energy: 1.1950707679647248
Energy: 1.2831033567022685
Energy: 1.3298712743905234
Energy: 1.3530792022222584
Energy: 1.6177052118081423
Energy: 1.1964884291289442
Energy: 1.195986182854767
Energy: 1.3615374711191688
Energy: 1.195847182441877
Energy: 1.3556988960536633
Energy: 1.3430277155692374
Energy: 1.1944804306921757
Energy: 1.1944871442888307
Energy: 1.3447156036479166
Energy: 1.2016605030089458
Energy: 1.1951106473875015
Energy: 1.7194927577345134
Energy: 1.1947942999526893
Energy: 1.1960460535690003
Energy: 1.2435057886849548
Energy: 1.1942898176792718
Energy: 1.1962038248152036
Energy: 1.415883983863889
Energy: 1.1947207478394561
Energy: 1.1946995720162608
Energy: 1.3078683338222992
Energy: 1.1943912640037173
Energy: 1.194515523880348
Energy: 1.415177709733373
Energy: 1.3532650730313183
Energy: 1.3492151537983215
Energy: 1.4151106214150675
Energy: 1.2372269551239097
Energy: 1.2908178505509436
Energy: 1.6007208197210332
Energy: 1.2804401037388233
Energy: 1.2804766448451277
Energy: 1.6003989036698474
Energy: 1.1846281800133853
Energy: 1.349348958232087
Energy: 1.3038620048258311
Energy: 1.2497006181956598
Energy: 1.1948492804035715
Energy: 1.3779658225788076
Energy: 1.3822066446875045
Energy: 1.1946412676229936
Energy: 1.8413931971115187
Energy: 1.257607967470163
Energy: 1.272024812395259
Energy: 1.8426994167702924
Energy: 1.2573589719410614
Energy: 1.2721229813597255
Energy: 1.2587823358481363
Energy: 1.2665174313537837
Energy: 1.2397517015608217
Energy: 1.270948487456834
Energy: 1.2599449721578606
Energy: 1.276222513352061
Energy: 1.2572875853488266
Energy: 1.2799848566916123
Energy: 1.232961348671684
Energy: 1.259971262915702
Energy: 1.2752851550870885
Energy: 1.234277117298542
Energy: 1.2705535147112608
Energy: 1.240089194900495
Energy: 1.2400046671590594
Energy: 1.2567673969398039
Energy: 1.2751942835220842
Energy: 1.2394918134721424
Energy: 1.2656050968599635
Energy: 1.1935052601603737
Energy: 1.1932432978919805
Energy: 1.2667931579782963
Energy: 1.1946197073942944
Energy: 1.193215096306833
Energy: 1.3458050832613881
Energy: 1.1936226624402353
Energy: 1.193167578366586
Energy: 1.346810497425267
Energy: 1.1957406576191265
Energy: 1.193131402812527
Energy: 1.1834019647736742
Energy: 1.2742881174870058
Energy: 1.2376223284385228
Energy: 1.372684926870966
Energy: 1.419275255579835
Energy: 1.3066531948124909

minimum gb energy = 1.1769410481820386 eV
minimum distance =  2.29265587251487 Angstroms
sigma value = 81


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

Energy: 2.1222132036134655
Energy: 1.3362223421097132
Energy: 1.2105556627575726
Energy: 1.210265612663328
Energy: 1.1867709867983534
Energy: 1.275116267218767
Energy: 1.232582898461281
Energy: 1.2610046026703525
Energy: 1.1887309394750873
Energy: 1.2545145654639374
Energy: 1.256123685481339
Energy: 1.2847459753738462
Energy: 1.2678551765717097
Energy: 1.2470981182858176
Energy: 1.2059655009930124
Energy: 1.1876660904948364
Energy: 1.225026864563484
Energy: 1.2926375377842645
Energy: 1.2727419352194158
Energy: 1.206360933620412
Energy: 1.3120602141848732
Energy: 1.2711689167962152
Energy: 1.2253917156698317
Energy: 1.3041964245473798
Energy: 1.2734381126844423
Energy: 1.3054109442815016
Energy: 1.3271900783995114
Energy: 1.2713515587174826
Energy: 1.3476535887348946
Energy: 1.3452268714096252
Energy: 1.3716528424240886
Energy: 1.2878791789888782
Energy: 1.2861036006630053
Energy: 1.4193879388838933
Energy: 1.3308877586030938
Energy: 1.2648664325838763
Energy: 1.272952434579066
Energy: 1.274792516993894
Energy: 1.313318824273728
Energy: 1.292140684084695
Energy: 1.274702738023301
Energy: 1.3273161489850802
Energy: 1.698541709804022
Energy: 1.6822321459109366
Energy: 1.5361836152557946
Energy: 1.6986868246969296
Energy: 1.5537124214947862
Energy: 1.3547230052641848
Energy: 1.2987277828465855
Energy: 1.2928746699758757
Energy: 1.3290553894247403
Energy: 1.3031047601431303
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Energy: 1.3491905065066885
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Energy: 1.1608592203630614
Energy: 1.1605867428540477
Energy: 1.3631220879725248
Energy: 1.1610185371244681
Energy: 1.16072695163851
Energy: 1.2812861730652576
Energy: 1.1600071984580638
Energy: 1.1597209869524407
Energy: 1.2875393430759523
Energy: 1.1597591994227312
Energy: 1.2547264413146624
Energy: 1.2247059639238724
Energy: 1.4083590567187385
Energy: 1.2728838902491868
Energy: 1.2247093501971098
Energy: 1.2817754667962393
Energy: 1.274006720314659
Energy: 1.2261485983953528
Energy: 1.2749835862373673
Energy: 1.38652971668474
Energy: 1.2265520670909502
Energy: 1.274153009503887
Energy: 1.2495914212535053
Energy: 1.2802325640718955
Energy: 1.273740081569328
Energy: 1.3358926840180754
Energy: 1.3003294001263719
Energy: 1.2755978246223443
Energy: 1.333311361258192
Energy: 1.7496997793754574
Energy: 1.4137630062999569
Energy: 1.3760768049160896
Energy: 1.316889883890763
Energy: 1.3347246338964196
Energy: 1.3288136246443858
Energy: 1.2799091262044748
Energy: 1.334247398173807
Energy: 1.3316955218012134
Energy: 1.2802799913066643
Energy: 1.3014313317081305
Energy: 1.3340444847950632
Energy: 1.5262902021525815
Energy: 1.2086448438169737
Energy: 1.2835274728984896
Energy: 1.5267378927386868
Energy: 1.2688329718312843
Energy: 1.3408172871121014
Energy: 1.2552933753954758
Energy: 1.3714948133810698
Energy: 1.3327387890522837
Energy: 1.2863715334500843
Energy: 1.3107997597925936
Energy: 1.3326770326885633
Energy: 1.1621287808355125
Energy: 1.3335550523532778
Energy: 1.1598209995553688
Energy: 1.2006293975525337
Energy: 1.4088536250327006
Energy: 1.1596375095097826
Energy: 1.161722822512323
Energy: 1.3592280037904851
Energy: 1.159998002004776
Energy: 1.1606984911965927
Energy: 1.3160159978705688
Energy: 1.159810007992493
Energy: 1.256013784756827
Energy: 1.36753633840755
Energy: 1.3536365038170584
Energy: 1.2863350645601546
Energy: 1.3118059989180857
Energy: 1.3313864551371497
Energy: 1.2739649079270103
Energy: 1.206585088115464
Energy: 1.2673692476528096
Energy: 1.273999538632538
Energy: 1.2256330390344599
Energy: 1.36719248676478
Energy: 1.2729427435095193
Energy: 1.333424649886925
Energy: 1.3310850433174786
Energy: 1.2741129180216029
Energy: 1.3135399518412736
Energy: 1.2745038631043242
Energy: 1.2751747427949385
Energy: 1.3718659221312073
Energy: 1.3308111584480504
Energy: 1.2762408737223907
Energy: 1.3333868729547271
Energy: 1.3300887134177501
Energy: 1.2742748661276482
Energy: 1.317266444594799
Energy: 1.3124731945879593
Energy: 1.4076670816942924
Energy: 1.2796740807232903
Energy: 1.313170392543045
Energy: 1.6362066962892727
Energy: 1.524993516555474
Energy: 1.2753257421459965
Energy: 1.2677081408513087
Energy: 1.5248996932475245
Energy: 1.3168117837150928
Energy: 1.2328167932946232
Energy: 1.2970810801510604
Energy: 1.2739933503035157
Energy: 1.2676087360872073
Energy: 1.2969385195715741
Energy: 1.3172416254071744
Energy: 1.2772942025903102
Energy: 1.1601079100679306
Energy: 1.3319374040941092
Energy: 1.3077504094589334
Energy: 1.1597906381623644
Energy: 1.2555787289209892
Energy: 1.2820296210016506
Energy: 1.1613984329198568
Energy: 1.1611491095423654
Energy: 1.2877414553814226
Energy: 1.1615239519734593
Energy: 1.1614830419111146
Energy: 1.3025457491242467
Energy: 1.4009248241466734
Energy: 1.328329501165578
Energy: 1.303806229681124
Energy: 1.294587698040904
Energy: 1.3379943158615584
Energy: 1.2267342840496465
Energy: 1.4428999502779014
Energy: 1.2881589176022643
Energy: 1.226439927885063
Energy: 1.4063402285819706
Energy: 1.296629176366827
Energy: 1.2776572458076931
Energy: 1.2692904150499948
Energy: 1.2690931655171445
Energy: 1.2911973890138737
Energy: 1.2695736739865409
Energy: 1.2701334568083094
Energy: 1.278261233885549
Energy: 1.3384427666825036
Energy: 1.3369869116379014
Energy: 1.357714380275746
Energy: 1.2710039146045116
Energy: 1.3382155403585907
Energy: 1.2777009017972707
Energy: 1.2684250165631472
Energy: 1.2798237027443733
Energy: 1.2757270421902434
Energy: 1.339679937344954
Energy: 1.2683055999303279
Energy: 1.2778535990495437
Energy: 1.2349103085375308
Energy: 1.3127992580411516
Energy: 1.2760549649851523
Energy: 1.2973863540572106
Energy: 1.2327482959805307
Energy: 1.527292926455726
Energy: 1.2067733861203436
Energy: 1.2073091116070054
Energy: 1.4472633592591209
Energy: 1.268247049718005
Energy: 1.4475453660119346
Energy: 1.2704123619860415
Energy: 1.2370927594642003
Energy: 1.1885743888421727
Energy: 1.2634736847097838
Energy: 1.2555850828933484
Energy: 1.2309684330519708
Energy: 2.123473930421099
Energy: 1.2986297028404417
Energy: 1.2115163270326719
Energy: 1.1624227031559773
Energy: 1.3292874083581974
Energy: 1.276415201372746

minimum gb energy = 1.1596375095097826 eV
minimum distance =  2.34486097033426 Angstroms
sigma value = 43


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

Energy: 2.153253798795083
Energy: 1.5693081665507538
Energy: 1.4201677957983994
Energy: 1.2894942001724512
Energy: 1.5749874441702565
Energy: 1.289055982636848
Energy: 1.2102345625830042
Energy: 1.210175577610672
Energy: 1.3926011268447103
Energy: 1.3126015844229533
Energy: 1.315121527831228
Energy: 1.3728394228428817
Energy: 1.2235744135753992
Energy: 1.2072399785394625
Energy: 1.2093951305463198
Energy: 1.2236716000992334
Energy: 1.2150984850246853
Energy: 1.2264326851530052
Energy: 1.2269725002568506
Energy: 1.2160789491232777
Energy: 1.2322403812038014
Energy: 1.2233246906474784
Energy: 1.3871678565862557
Energy: 1.2236461998209198
Energy: 1.2396168606952598
Energy: 1.250181280096549
Energy: 1.2984429501309886
Energy: 1.2398372520913612
Energy: 1.2866832369429795
Energy: 1.2985044270581088
Energy: 1.249554813968062
Energy: 1.2866676862560047
Energy: 1.2990252546125787
Energy: 1.2559877524194498
Energy: 1.223977401988885
Energy: 1.2980663950310392
Energy: 1.2404251008115628
Energy: 1.2386618843204102
Energy: 1.241766848624211
Energy: 1.240402181954229
Energy: 1.2424430322245759
Energy: 1.2319411612433666
Energy: 1.408374780619139
Energy: 1.2241659457251928
Energy: 1.22341893837878
Energy: 1.325273216092643
Energy: 1.2247535315112856
Energy: 1.3227276791648002
Energy: 1.315512915819277
Energy: 1.247538210728248
Energy: 1.2473162448144355
Energy: 1.3151631570231574
Energy: 1.2487275488980056
Energy: 1.2479475692325452
Energy: 1.4068434400842906
Energy: 1.317319575948594
Energy: 1.317624339195317
Energy: 1.4061098318475775
Energy: 1.31876798253105
Energy: 1.316939354541121
Energy: 1.2004964804752793
Energy: 1.2680655316379683
Energy: 1.3245658047498272
Energy: 1.2007930834849863
Energy: 1.3898675973877486
Energy: 1.301354655575108
Energy: 1.4180801578702151
Energy: 1.248610116455804
Energy: 1.2478295913701212
Energy: 1.1973211526919525
Energy: 1.4223957712351603
Energy: 1.247702420112026
Energy: 1.3385945499403262
Energy: 1.231525300108763
Energy: 1.2468413903086946
Energy: 1.1998241683371338
Energy: 1.2979253028616136
Energy: 1.246697373533003
Energy: 1.2003052238604175
Energy: 1.2335960832836752
Energy: 1.3715072098463217
Energy: 1.2005903933099837
Energy: 1.3359823487194578
Energy: 1.301861538313994
Energy: 1.2023099936761024
Energy: 1.2294999788490586
Energy: 1.226866947003303
Energy: 1.2013970546707347
Energy: 1.3052410008934983
Energy: 1.2268601949244837
Energy: 1.2035600532919906
Energy: 1.2291641617735747
Energy: 1.2033900844125611
Energy: 1.2034302983416314
Energy: 1.3559548683458564
Energy: 1.2024190824953203
Energy: 1.2009737637238231
Energy: 1.2061689290408641
Energy: 1.2077503760585409
Energy: 1.2011363384854268
Energy: 1.3690280655000657
Energy: 1.2037442775613112
Energy: 1.2006988849573437
Energy: 1.329314274418602
Energy: 1.2106835392073894
Energy: 1.2007571687841772
Energy: 1.4086240815819067
Energy: 1.2106527625305086
Energy: 1.3145957104721089
Energy: 1.2031176329702629
Energy: 1.2027831667886717
Energy: 1.411643536293937
Energy: 1.3056251232568528
Energy: 1.2419152299985403
Energy: 1.313755596184569
Energy: 1.2062950860618293
Energy: 1.2028654855347392
Energy: 1.2497949923306506
Energy: 1.2002817074307168
Energy: 1.2250928895356774
Energy: 1.2006981883150691
Energy: 1.3122364017899832
Energy: 1.3281243680673984
Energy: 1.2005940290406878
Energy: 1.4193176031151136
Energy: 1.3283177764743177
Energy: 1.473255812386522
Energy: 1.2454980807470264
Energy: 1.337927265105337
Energy: 1.4734334826466202
Energy: 1.203696322081932
Energy: 1.4176319628687906
Energy: 1.4066828874365394
Energy: 1.211795051662673
Energy: 1.3287312032460863
Energy: 1.408315277645281
Energy: 1.3207357855795858
Energy: 1.3210233462897916
Energy: 1.3920817840545314
Energy: 1.4678120079203218
Energy: 1.2030341419012183
Energy: 1.4347882131122864
Energy: 1.203623503833608
Energy: 1.2037189164166142
Energy: 1.4082416268514175
Energy: 1.199702369106234
Energy: 1.2073245394057692
Energy: 1.4086274047300902
Energy: 1.1997525318072708
Energy: 1.2030879095316438
Energy: 1.3372703344083507
Energy: 1.2003517287804608
Energy: 1.2266772803914872
Energy: 1.372988219237372
Energy: 1.2007604706178236
Energy: 1.2332652963537079
Energy: 1.3369872293913139
Energy: 1.2031602930179752
Energy: 1.203341927760382
Energy: 1.3369307960911239
Energy: 1.2010711919356314
Energy: 1.2031675305819642
Energy: 1.2967144279750615
Energy: 1.3475981106909052
Energy: 1.232600109228478
Energy: 1.2966905345986892
Energy: 1.3140640294041515
Energy: 1.232822711180291
Energy: 1.3065102419180321
Energy: 1.223053813754396
Energy: 1.2238425573034628
Energy: 1.3065449226641501
Energy: 1.3187806274988079
Energy: 1.2247233618724185
Energy: 1.2241898647725333
Energy: 1.210264742537265
Energy: 1.370158439963299
Energy: 1.3120776051702094
Energy: 1.3148374427770357
Energy: 1.2471900878987705
Energy: 2.1571392039538035
Energy: 1.4380231551979137
Energy: 1.442398948749318
Energy: 1.2466481239547929
Energy: 1.4354420213650323
Energy: 1.3883441418527533

minimum gb energy = 1.1973211526919525 eV
minimum distance =  2.26907847087064 Angstroms
sigma value = 57


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

Energy: 1.7633725277080385
Energy: 1.4275103349461635
Energy: 1.3857142738260746
Energy: 1.6806590385983227
Energy: 1.27121347920924
Energy: 1.494109952236886
Energy: 1.259118834041147
Energy: 1.2966412341592353
Energy: 1.2946362575375268
Energy: 1.2188452716037712
Energy: 1.4001867287705403
Energy: 1.2945132037155345
Energy: 1.7261246170280138
Energy: 1.2186122777249737
Energy: 1.2182063265737824
Energy: 1.5673902146914451
Energy: 1.217830493268943
Energy: 1.2177823443811777
Energy: 1.3755325335730926
Energy: 1.2178083161551982
Energy: 1.2177754653322657
Energy: 1.378149187356777
Energy: 1.218017168601902
Energy: 1.2093393694672712
Energy: 1.3749944863110826
Energy: 1.4413314138485989
Energy: 1.3378935386006576
Energy: 1.3763342520302941
Energy: 1.3358604657438513
Energy: 1.3701445336535338
Energy: 1.2175813579524764
Energy: 1.33041230582698
Energy: 1.3637526081452607
Energy: 1.3767841648960082
Energy: 1.3755907585755112
Energy: 1.3711495317921196
Energy: 1.3954651767931034
Energy: 1.3736842098482995
Energy: 1.3731629632527242
Energy: 1.4343378450302884
Energy: 1.3759475292928602
Energy: 1.3744527178014092
Energy: 1.307215615437282
Energy: 1.4748687056585794
Energy: 1.4448858247330356
Energy: 1.307159304965873
Energy: 1.4269813329779704
Energy: 1.3854842653250523
Energy: 1.4076996709344891
Energy: 1.4277974789355437
Energy: 1.3854004790201644
Energy: 1.408430306825195
Energy: 1.3859450296898597
Energy: 1.4276283218538446
Energy: 1.660998585468778
Energy: 1.3088424536146042
Energy: 1.309239403716573
Energy: 1.6620701480358802
Energy: 1.3087250040243323
Energy: 1.3081395313147457
Energy: 1.5085541133153864
Energy: 1.3074071364846298
Energy: 1.349479293607131
Energy: 1.3564759395117942
Energy: 1.356448716236443
Energy: 1.3458780787867752
Energy: 1.1487057663586016
Energy: 1.3799690344248279
Energy: 1.380030132109034
Energy: 1.1511459829224717
Energy: 1.5676220660191715
Energy: 1.3305855635012944
Energy: 1.1580921414877394
Energy: 1.3811874628600858
Energy: 1.3313163908543144
Energy: 1.3318910419618788
Energy: 1.3815168047910427
Energy: 1.3311370976208492
Energy: 1.5049711558628567
Energy: 1.4556945738801732
Energy: 1.4489622197650576
Energy: 1.3578433625498858
Energy: 1.4310768965347351
Energy: 1.3499987429231588
Energy: 1.3739004773470058
Energy: 1.2187495691807886
Energy: 1.276616454876633
Energy: 1.3736239491407614
Energy: 1.2182688241617485
Energy: 1.2768643881491402
Energy: 1.3732913800847502
Energy: 1.390581529035239
Energy: 1.3954385625687518
Energy: 1.374407960545695
Energy: 1.5647077101492952
Energy: 1.4005375356180458
Energy: 1.3946815966714234
Energy: 1.3673487019575172
Energy: 1.3679114984425966
Energy: 1.3929571250204982
Energy: 1.4041382105652116
Energy: 1.36701942571921
Energy: 1.3946090309918386
Energy: 1.3751003460315276
Energy: 1.3808098352042004
Energy: 1.4361672567664059
Energy: 1.3746086947173806
Energy: 1.381675559378004
Energy: 1.433118350124576
Energy: 1.374978542740517
Energy: 1.406176691209541
Energy: 1.4198418827042791
Energy: 1.374768993765905
Energy: 1.4057896801798202
Energy: 1.3868105025734334
Energy: 1.393144468555833
Energy: 1.3823357421201952
Energy: 1.384219337763921
Energy: 1.5625340133909489
Energy: 1.408043899129339
Energy: 1.3823446544981077
Energy: 1.4185010001771348
Energy: 1.4875520330258207
Energy: 1.388974689792617
Energy: 1.4387491120893787
Energy: 1.2085875913000725
Energy: 1.4825770152723319
Energy: 1.3083951441976445
Energy: 1.3635704131260096
Energy: 1.4105241195268108
Energy: 1.3093429341796667
Energy: 1.3636727805104483
Energy: 1.568897105878289
Energy: 1.2963429565719664
Energy: 1.2965051790457358
Energy: 1.216020373097524
Energy: 1.3985103543537671
Energy: 1.2122125161503843
Energy: 1.27013544252385
Energy: 1.3026398305722438
Energy: 1.3312299171879056
Energy: 1.33272507184436
Energy: 1.3028485595807626
Energy: 1.4390336053108055

minimum gb energy = 1.1487057663586016 eV
minimum distance =  2.33395091374532 Angstroms
sigma value = 17


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

Energy: 1.8749942382434541
Energy: 1.4057316805507918
Energy: 1.4011785261667131
Energy: 1.1776363135972028
Energy: 1.2919637535540331
Energy: 1.1775349454496744
Energy: 1.1218393829213855
Energy: 1.2372967936772483
Energy: 1.2373539849977695
Energy: 1.25329037781013
Energy: 1.2389463826675302
Energy: 1.2205759924634212
Energy: 1.5313439621073541
Energy: 1.1727016058455664
Energy: 1.122523740163222
Energy: 1.533689088328802
Energy: 1.1725388467041753
Energy: 1.1231227294197843
Energy: 1.236609302385644
Energy: 1.1725773480335007
Energy: 1.1227147676584226
Energy: 1.236535679550445
Energy: 1.0659156601529123
Energy: 1.2366268031545888
Energy: 1.1123217180671514
Energy: 1.1956836492288199
Energy: 1.2162837308899646
Energy: 1.11282493511994
Energy: 1.1949634612871298
Energy: 1.2160680801587518
Energy: 1.632253137871973
Energy: 1.0956325388146895
Energy: 1.1846229960732988
Energy: 1.2277034724227736
Energy: 1.0953611477630247
Energy: 1.2300876608675144
Energy: 1.1118813139460162
Energy: 1.094710389285138
Energy: 1.0947933200899038
Energy: 1.1126270186045195
Energy: 1.0957460038685174
Energy: 1.1722865838080523
Energy: 1.3444502375721101
Energy: 1.23658736153097
Energy: 1.2945091677366105
Energy: 1.2363019438487768
Energy: 1.2359813957009138
Energy: 1.2534815095296585
Energy: 1.0992900584013154
Energy: 1.238093306855734
Energy: 1.2372192110349438
Energy: 1.0969483097099397
Energy: 1.1874517266239697
Energy: 1.0954339757189162
Energy: 1.0948211547104454
Energy: 1.1847513228061073
Energy: 1.1849422822155413
Energy: 1.094914666421326
Energy: 1.2094583681202367
Energy: 1.1848970111227237
Energy: 1.2992899177210362
Energy: 1.2164115609865789
Energy: 1.2161191275556014
Energy: 1.3705352683588685
Energy: 1.2383904497340983
Energy: 1.1941079822508485
Energy: 1.2566461602484793
Energy: 1.236677866777107
Energy: 1.2363357704744256
Energy: 1.256970934697713
Energy: 1.23676607273273
Energy: 1.2362937532431717
Energy: 1.2356296550871457
Energy: 1.3667566594478806
Energy: 1.2376457898523283
Energy: 1.2169784769579661
Energy: 1.3715446518385876
Energy: 1.2631750494571017
Energy: 1.2535499140076947
Energy: 1.2379091747602384
Energy: 1.237907492343098
Energy: 1.2532140855487044
Energy: 1.23744994618375
Energy: 1.2374902907743166
Energy: 1.6339795289280559
Energy: 1.2373783363528268
Energy: 1.2364932802821254
Energy: 1.633696177561516
Energy: 1.2367978383509188
Energy: 1.365812209951877
Energy: 1.5386441449617638
Energy: 1.2811366518012175
Energy: 1.2205648866677803
Energy: 1.5331637245298693
Energy: 1.2548477798805848
Energy: 1.237051419127221
Energy: 1.2337970145671053
Energy: 1.237014082313269
Energy: 1.3497149225044336
Energy: 1.2321970399443345
Energy: 1.3691882963214719
Energy: 1.3499682536835929

minimum gb energy = 1.0659156601529123 eV
minimum distance =  2.30948113290264 Angstroms
sigma value = 17


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

Energy: 1.9486034743931233
Energy: 1.3455265384750184
Energy: 1.1374363267619123
Energy: 1.137652742794338
Energy: 1.2492214036811151
Energy: 1.1371835329527085
Energy: 1.263706536899871
Energy: 1.2019679489654274
Energy: 1.2160367917167962
Energy: 1.2012421267547062
Energy: 1.2044138809571217
Energy: 1.133660219022157
Energy: 1.4384706792670143
Energy: 1.1356155509571038
Energy: 1.1241720390404715
Energy: 1.4399089952613584
Energy: 1.1364679200956458
Energy: 1.0971238816262874
Energy: 1.2014899992752228
Energy: 1.1252161603120543
Energy: 1.0976876894213388
Energy: 1.202040142613415
Energy: 1.0109778800016669
Energy: 1.0966106845348846
Energy: 1.0685942445808494
Energy: 1.1412533397110571
Energy: 1.1346350970323567
Energy: 1.0694339612524475
Energy: 1.1398601556957904
Energy: 1.135304056683561
Energy: 1.7255224678938281
Energy: 1.0521448072377415
Energy: 1.004554764884841
Energy: 1.135538604310165
Energy: 1.0534424665596063
Energy: 1.0732941539682939
Energy: 1.4021131788466357
Energy: 1.052448032581678
Energy: 1.0522878410465328
Energy: 1.402462157691026
Energy: 1.0558824095331263
Energy: 1.1029877184468315
Energy: 1.1693706476418486
Energy: 1.1089528744988393
Energy: 1.120706277820468
Energy: 1.0867702148436587
Energy: 1.1094489493954403
Energy: 1.1704195796720798
Energy: 0.9922948113813922
Energy: 1.1203055714705399
Energy: 1.064382583095372
Energy: 0.9938524649616134
Energy: 0.9914796473273964
Energy: 0.9921984405482137
Energy: 0.9921852345845029
Energy: 1.1143792227031912
Energy: 1.1142552987374452
Energy: 0.9918540979634047
Energy: 1.1146300038010222
Energy: 1.1149307731227966
Energy: 0.9902962214676185
Energy: 0.9912694866967875
Energy: 1.1142483694928405
Energy: 1.114430597110576
Energy: 0.9918285508216512
Energy: 1.1143713575255692
Energy: 0.9961397375600385
Energy: 0.9921655774125028
Energy: 0.992352534351371
Energy: 0.997738765163976
Energy: 0.9918799581588819
Energy: 1.0643280458859146
Energy: 1.0520137457612042
Energy: 1.1097288038616435
Energy: 1.0688663146519377
Energy: 1.1241035296291013
Energy: 1.1194958790098775
Energy: 1.1244063266445212
Energy: 1.0531092970431626
Energy: 1.1410050098623057
Energy: 1.1408898650840864
Energy: 1.053375913292258
Energy: 1.220875860683341
Energy: 1.052374913237685
Energy: 1.0533190637383536
Energy: 1.063956405418515
Energy: 1.064017329307599
Energy: 1.0530807680396113
Energy: 1.123234234040788
Energy: 1.1205766278210172
Energy: 1.3588225107563658
Energy: 1.2020609266621693
Energy: 1.1335519097124467
Energy: 1.2816233847681147
Energy: 1.201400850094318
Energy: 1.1213385873338375
Energy: 0.9923154768862253
Energy: 1.2017127057353152
Energy: 1.201741142577898
Energy: 0.9933678052013927
Energy: 1.2014130937360272
Energy: 1.0511737374563672
Energy: 1.0727610045709968
Energy: 1.300579620753765
Energy: 1.2016780800351896
Energy: 1.071696866166634
Energy: 1.3052009431233103
Energy: 1.1211170950349565
Energy: 1.3432050568735554
Energy: 1.2010571356727635
Energy: 1.1521198153809264
Energy: 1.3440815946523716
Energy: 1.0700367525109855
Energy: 1.1212674849184783
Energy: 1.6142860281541496
Energy: 1.0515987629890904
Energy: 1.1500861836977097
Energy: 1.6148464346897335
Energy: 1.19212965597147
Energy: 1.2242113345908723
Energy: 1.447164939036934
Energy: 1.2015760335798704
Energy: 1.214823786301482
Energy: 1.3044905921639565
Energy: 1.2011404861969093
Energy: 1.201273053520039
Energy: 1.0046146310145896
Energy: 1.3037776632914506
Energy: 1.3023851459432578
Energy: 1.1263060387041282
Energy: 1.3066103360533103
Energy: 1.0967117796852472
Energy: 1.0104385990642488
Energy: 1.2020404648709162
Energy: 1.202375028621922
Energy: 1.0111821568188544
Energy: 1.2034204611862458
Energy: 1.301777307905707
Energy: 1.4395117416802905
Energy: 1.1607639037131063
Energy: 1.215298676717992
Energy: 1.43946846458061
Energy: 1.0051283532199549
Energy: 1.2007264692621997
Energy: 1.2018289726617213
Energy: 1.1348627744902184
Energy: 1.1109829875647497
Energy: 1.2020349603498763
Energy: 1.13595868577576
Energy: 1.096630546571331
Energy: 1.2060395524383611
Energy: 1.136201635136537
Energy: 1.1382720000552913
Energy: 1.2064722018947727
Energy: 1.1407069490794806
Energy: 1.137173594063294
Energy: 1.0968620910611453
Energy: 1.0519636904059577
Energy: 1.0521048924256737
Energy: 1.132993780149842
Energy: 1.1966930429447504
Energy: 1.0733950015540261
Energy: 0.9758829482374245
Energy: 1.052163760703464
Energy: 1.0525895297780528
Energy: 0.9757700677628122
Energy: 1.053730647987654
Energy: 1.0525880869258946
Energy: 1.4099202563515385
Energy: 1.1311311122110768
Energy: 1.1309137653053045
Energy: 1.0680084267592986
Energy: 1.0520902629308224
Energy: 1.132065963365487
Energy: 0.9922703064456263
Energy: 1.1088088794157955
Energy: 1.1204194145777508
Energy: 0.9924331750932853
Energy: 1.1092998500268485
Energy: 1.129165168987725
Energy: 0.9986985037263576
Energy: 1.11928585885105
Energy: 1.1184861660257748
Energy: 0.9925407943962508
Energy: 1.115750520098343
Energy: 1.0631874468600235
Energy: 1.4967679074093483
Energy: 1.1149440334085488
Energy: 1.1206474465913763
Energy: 1.1618646612845294
Energy: 1.1241812691436253
Energy: 1.1205152304055768
Energy: 1.0072964327969873
Energy: 0.9922096089072734
Energy: 0.9919189448161231
Energy: 1.0077352841451934
Energy: 0.9930765629674845
Energy: 0.9921239617982622
Energy: 1.641194790265263
Energy: 1.0649486102927013
Energy: 1.1222392202185896
Energy: 1.1231859949130976
Energy: 0.9913409019215408
Energy: 1.1422449241947712
Energy: 1.0524357261030122
Energy: 1.149781000205152
Energy: 1.1486808996142812
Energy: 1.05229047449205
Energy: 1.1529311273748524
Energy: 1.1430797013669451
Energy: 1.052751972628314
Energy: 1.124612185505983
Energy: 1.1201091389830438
Energy: 1.0527068142726659
Energy: 1.1237769732060139
Energy: 1.0523505002001912
Energy: 1.3773221261572457
Energy: 1.1329282480757965
Energy: 1.1332253201241334
Energy: 1.1974357233179767
Energy: 1.0717502687326252
Energy: 1.119961326144465
Energy: 0.9948719902223837
Energy: 1.2015758563909225
Energy: 1.2014222615926387
Energy: 1.0515188744104598
Energy: 1.2025984680506279
Energy: 1.2014002267884298
Energy: 1.2052669476821478
Energy: 1.299631742657472
Energy: 1.0505650934184927
Energy: 1.1369799077394234
Energy: 1.4367905970888664
Energy: 1.050821640061828
Energy: 1.3402168217283974
Energy: 1.2017861317979373
Energy: 1.2016670521586117
Energy: 1.2031230638919543
Energy: 1.2026546495812918
Energy: 1.160864682949079
Energy: 1.3457885691229157
Energy: 1.1211600149592282
Energy: 1.216395175348318
Energy: 1.3446870758411282
Energy: 1.1208487085498358
Energy: 1.1999082969939219
Energy: 1.4389998398016055
Energy: 1.148657110013265
Energy: 1.2143649104864087
Energy: 1.4406798768516447
Energy: 1.0837725131633695
Energy: 1.201293327205926
Energy: 1.2303305682196264
Energy: 1.2020411814510106
Energy: 1.2158377210976297
Energy: 1.2317732882515204
Energy: 1.3028892687645257
Energy: 1.3013684885308296

minimum gb energy = 0.9757700677628122 eV
minimum distance =  2.29273495410238 Angstroms
sigma value = 57


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

Energy: 1.7654330846687982
Energy: 1.2745185881234753
Energy: 1.100556904953471
Energy: 1.1034851361195783
Energy: 1.678545285842458
Energy: 1.0972474848309928
Energy: 1.2936483400855396
Energy: 1.1640233002824172
Energy: 1.170346742714571
Energy: 1.1519913283621415
Energy: 1.1580247294795396
Energy: 1.0719985131629164
Energy: 1.3490982435024792
Energy: 1.0673834293715376
Energy: 1.071774759075582
Energy: 1.3511709794931035
Energy: 1.0643345203459016
Energy: 1.0747706357651179
Energy: 1.1584896338900803
Energy: 1.0651224174468037
Energy: 1.0688913214613094
Energy: 1.1585479422122273
Energy: 1.2782912880997297
Energy: 1.0597910244376247
Energy: 1.1851645682710619
Energy: 1.0667571809172152
Energy: 1.0722366798061456
Energy: 1.1716445799456583
Energy: 1.0887706483625648
Energy: 1.0627782626940183
Energy: 1.605634739614603
Energy: 1.0157629031900341
Energy: 0.965731040347763
Energy: 1.0290260049533537
Energy: 1.014776178532604
Energy: 1.0657562709892763
Energy: 1.3119272319746222
Energy: 1.020485942520744
Energy: 1.0147932245916036
Energy: 1.3135930207624675
Energy: 1.021328469606427
Energy: 1.061623086319964
Energy: 1.2454577495514763
Energy: 1.02484518250469
Energy: 1.041919028481651
Energy: 1.245955602182442
Energy: 1.0247881251127013
Energy: 1.0602611780101412
Energy: 0.9448282029129544
Energy: 1.0454042828706378
Energy: 0.9420795631157434
Energy: 0.946753028594832
Energy: 1.0836753311683194
Energy: 0.9423061780174826
Energy: 0.9426450640094975
Energy: 1.073166932154013
Energy: 1.0448685947516279
Energy: 0.942518255732846
Energy: 1.1046438445571924
Energy: 1.0413614435525207
Energy: 0.9153885139620505
Energy: 0.9095746769018974
Energy: 1.0353554831556449
Energy: 1.012411202224374
Energy: 0.9089453302031045
Energy: 1.0378486929154098
Energy: 0.9481487000800657
Energy: 0.9087787555892716
Energy: 0.9088146850531673
Energy: 0.9491317581656413
Energy: 0.9147258291911771
Energy: 1.0197967844097877
Energy: 0.9154788107028506
Energy: 1.0908845560799745
Energy: 1.0520435685114942
Energy: 0.9157854704936845
Energy: 1.0544816463206494
Energy: 1.0516807851882577
Energy: 0.9097270750210446
Energy: 1.0208486566461903
Energy: 0.9085983315473024
Energy: 0.9123953096651395
Energy: 1.2491705874068721
Energy: 0.9085580419746548
Energy: 0.9101154994416205
Energy: 1.0499499275380562
Energy: 1.0198375338598467
Energy: 0.9101478953018425
Energy: 1.0201772611087816
Energy: 1.0197736345547987
Energy: 1.0983431630886944
Energy: 0.9424057263697758
Energy: 1.041508981551184
Energy: 1.0438165880178913
Energy: 0.942711449956893
Energy: 1.03984469435284
Energy: 0.9632149064157477
Energy: 0.9424620981664512
Energy: 0.942376455182549
Energy: 0.9640459928128632
Energy: 0.9507880960687091
Energy: 1.0019229475021334
Energy: 0.9116405177553789
Energy: 1.0079229404986323
Energy: 1.050786226387724
Energy: 0.913133516057877
Energy: 1.0414062113443248
Energy: 1.0552076742991772
Energy: 1.0148807365005137
Energy: 1.0756339039366953
Energy: 1.014596075557849
Energy: 1.0161788583158338
Energy: 1.3191827724908902
Energy: 1.0143851094073006
Energy: 1.2808565153939133
Energy: 1.048787381727196
Energy: 1.105860323574145
Energy: 1.2818022425850595
Energy: 1.0483375276044629
Energy: 1.075391312782514
Energy: 1.3241124516236176
Energy: 1.2013666409740842
Energy: 1.068630638376819
Energy: 1.088866891328508
Energy: 1.207455936096818
Energy: 1.070264339533426
Energy: 1.003490308693257
Energy: 1.1518666736250793
Energy: 1.014720981079134
Energy: 1.0496581185420186
Energy: 1.1513888756490613
Energy: 1.0666424077764847
Energy: 1.1330036572856723
Energy: 1.1599715448754728
Energy: 1.1634004787771164
Energy: 1.1339964580716588
Energy: 1.2371396068008904
Energy: 1.1602275966889288
Energy: 1.2718941086814868
Energy: 1.0658698437325977
Energy: 1.071380835877261
Energy: 1.273684708444245
Energy: 1.1567875989829544
Energy: 1.0710628318012008
Energy: 1.3564942102235544
Energy: 1.079117622075004
Energy: 1.0144587874851154
Energy: 1.355407369448308
Energy: 1.0781970536450396
Energy: 1.151327492523751
Energy: 1.3484065355694108
Energy: 1.152515578981788
Energy: 1.1592685416339736
Energy: 1.159768763344489
Energy: 1.1587463472845307
Energy: 1.1520006454706027
Energy: 1.0619430523483255
Energy: 1.23310099533169
Energy: 1.0606636836794916
Energy: 1.0685250925142533
Energy: 1.3563477393946666
Energy: 1.0603695670871878

minimum gb energy = 0.9085580419746548 eV
minimum distance =  2.29139061532181 Angstroms
sigma value = 43


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

Energy: 1.6472485472591465
Energy: 1.132446165044024
Energy: 0.9937804853310761
Energy: 0.8729800878120009
Energy: 1.0629422519679976
Energy: 1.0063957236525625
Energy: 1.121717529752206
Energy: 0.9386927085683262
Energy: 0.9349574291564099
Energy: 1.0163584248263298
Energy: 1.020120250287511
Energy: 0.9140807078375512
Energy: 1.1703418054070047
Energy: 0.8972267872915773
Energy: 0.9322371022580693
Energy: 1.1725664616431568
Energy: 0.8958794556658108
Energy: 0.8992716223576568
Energy: 1.0199829844981054
Energy: 0.9223488516931347
Energy: 0.8985842651527914
Energy: 1.0193182096212507
Energy: 0.9781685837185807
Energy: 0.9468995193435987
Energy: 1.0279363666089631
Energy: 0.9090803930233146
Energy: 0.935445176725211
Energy: 1.0275626924361587
Energy: 0.912694020289502
Energy: 0.9155139396451834
Energy: 0.8204712120539245
Energy: 0.9082644692308544
Energy: 0.8962418662812723
Energy: 0.8737590248215225
Energy: 0.9081982176807516
Energy: 0.8555984621073109
Energy: 1.1361345892111068
Energy: 0.9085830469454437
Energy: 0.9088401464317933
Energy: 1.013410358432502
Energy: 0.9089385508701527
Energy: 1.0822654280905297
Energy: 1.0799755897791428
Energy: 0.8614186993230973
Energy: 0.8822889146331794
Energy: 1.0827492072120333
Energy: 0.8615732620373682
Energy: 0.8817084276273749
Energy: 0.8463289097912795
Energy: 0.8812453659008512
Energy: 0.8437504706772516
Energy: 0.8485081892476974
Energy: 1.0768864226415953
Energy: 0.8440682189702593
Energy: 0.8440459734539268
Energy: 0.9036978805639444
Energy: 0.8993058528500593
Energy: 0.8440952310836404
Energy: 0.9004477316908062
Energy: 0.899329108844958
Energy: 0.7858078500133815
Energy: 0.8023384559592345
Energy: 0.8705393225947871
Energy: 0.8580654755608204
Energy: 0.8025573307023537
Energy: 0.859904958499349
Energy: 1.0692451892510617
Energy: 0.8024474920979536
Energy: 0.8023668079142995
Energy: 1.071538010628876
Energy: 0.8023364767288212
Energy: 0.882151712169346
Energy: 1.047522212114188
Energy: 0.8496481325528691
Energy: 0.8778418698425594
Energy: 1.0500150133139368
Energy: 0.8497377413629847
Energy: 0.8557183270209204
Energy: 0.7776690678299577
Energy: 1.057128845516286
Energy: 0.7776406039483564
Energy: 0.7798421687418886
Energy: 1.057991473267847
Energy: 0.7775685358773946
Energy: 0.7775557244446629
Energy: 0.8518036502108766
Energy: 0.8623494661832675
Energy: 0.7774694835469642
Energy: 0.8502726232827634
Energy: 0.8580430579965158
Energy: 0.9085553668750004
Energy: 0.7661750419349579
Energy: 0.7655899020945492
Energy: 0.8493619461030393
Energy: 0.7662464853965026
Energy: 0.8515844914869709
Energy: 0.9174294568686916
Energy: 0.7660162130603171
Energy: 0.7664311410063048
Energy: 1.0520452393971043
Energy: 0.7661068690807744
Energy: 0.857472298761867
Energy: 1.0397818131137386
Energy: 0.8770317734004142
Energy: 0.8765749345621309
Energy: 1.034695177679962
Energy: 0.895825997242172
Energy: 0.8761220745549883
Energy: 0.7660082857298925
Energy: 1.0510483923352474
Energy: 0.765979666639246
Energy: 0.7680779857131738
Energy: 1.0558700982745703
Energy: 0.7660371974341086
Energy: 1.039585663423502
Energy: 0.9087372096496431
Energy: 0.9079743515088529
Energy: 1.0421172246929333
Energy: 0.9090701629917599
Energy: 0.9074352286607349
Energy: 1.0620506872175461
Energy: 0.7776417801984623
Energy: 0.7775417840418768
Energy: 1.057705771318304
Energy: 0.7775207336673592
Energy: 0.8664563146381503
Energy: 0.768363193955931
Energy: 0.7777794213524575
Energy: 0.7774380583954134
Energy: 0.8568127037208709
Energy: 0.7780678388516311
Energy: 0.8551465598222117
Energy: 0.802111624516289
Energy: 0.8557019227506527
Energy: 0.8559148527370796
Energy: 0.8021740556612202
Energy: 0.8563018035017959
Energy: 0.8561209750893778
Energy: 0.8023877933894972
Energy: 1.0691536056243287
Energy: 0.8023694011677229
Energy: 0.8047957506082694
Energy: 1.0696912677750299
Energy: 0.8025664170047153
Energy: 1.059683440274584
Energy: 0.8557071549473697
Energy: 0.8712322346742345
Energy: 1.062214822236106
Energy: 0.8557564572700607
Energy: 0.8711860899217292
Energy: 1.0923391946166099
Energy: 0.8439913688823312
Energy: 0.8439048552084235
Energy: 1.0948617177103634
Energy: 0.8440786112493064
Energy: 0.9010739562260084
Energy: 0.8031173295217745
Energy: 0.8436701631610488
Energy: 0.880025992143029
Energy: 0.8649632720742547
Energy: 0.8434124435923159
Energy: 0.8717494733073794
Energy: 0.9621318621517262
Energy: 0.8791977476670431
Energy: 0.9163255902307018
Energy: 0.9882107792159425
Energy: 0.9136925457157113
Energy: 0.9160392627906262
Energy: 0.9112857967355587
Energy: 0.9019018890277126
Energy: 0.9085013694486618
Energy: 0.9132018284259679
Energy: 1.0924200991070847
Energy: 0.9083510729916576
Energy: 1.1153952553342552
Energy: 0.8840689192826179
Energy: 0.9018064220446187
Energy: 1.117628956019655
Energy: 0.8832663082350977
Energy: 0.9011772188289022
Energy: 1.1381867270545591
Energy: 0.9345338606805703
Energy: 0.9357189355033264
Energy: 0.9353984355532226
Energy: 1.0548067792618943
Energy: 1.14139993799071
Energy: 0.84782430719812
Energy: 1.0163368961649444
Energy: 0.9085518142889482
Energy: 0.8895093525605433
Energy: 1.0162086490534779
Energy: 0.8820545377464184
Energy: 1.0504339394811977
Energy: 1.0169311126197806
Energy: 1.0163889494235248
Energy: 1.0505216533883905
Energy: 1.0766125160159774
Energy: 1.0007720924586934
Energy: 1.1417506457514832
Energy: 0.9335563374774054
Energy: 0.9017414743272931
Energy: 1.1084182518582157
Energy: 1.0271375697457164
Energy: 1.0162488751175667
Energy: 1.1658059927200248
Energy: 0.9195869986575466
Energy: 0.9440153471237271
Energy: 1.1681402630916415
Energy: 0.9148337089599181
Energy: 0.9437495128006731
Energy: 1.1627262653597004
Energy: 1.0167111845790642
Energy: 1.016254846254598
Energy: 1.0163089793600213
Energy: 1.0752844710003775
Energy: 1.0004419117514936

minimum gb energy = 0.7655899020945492 eV
minimum distance =  2.28219333531053 Angstroms
sigma value = 81


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

Energy: 0.3452225683396638
Energy: 0.1384660436885721
Energy: 0.08219260114167466
Energy: 0.08436967347533925
Energy: 0.8537052008176254
Energy: 0.3458816728563644
Energy: 0.40327458694909873
Energy: 0.6056084136910095
Energy: 0.605571857098239
Energy: 0.8510928415547744
Energy: 0.6058724890814617
Energy: 0.7374135847830675
Energy: 0.6590138835113677
Energy: 0.08217183051860248
Energy: 0.08225194029747489
Energy: 0.6863185842460511
Energy: 0.08200634414940638
Energy: 0.08180951137586608
Energy: 0.6233186913462511
Energy: 0.08219772908676796
Energy: 0.08236494993382523
Energy: 0.6156230614953455
Energy: 0.08222765440128608
Energy: 0.13967021768496074
Energy: 0.1387164921231027
Energy: 0.6684148589221826
Energy: 0.6677666337969976
Energy: 0.14047043299960524
Energy: 0.6677136184972544
Energy: 0.6593761149857038
Energy: 0.08306431180402879
Energy: 0.6053777701286368
Energy: 0.0822978189570986
Energy: 0.08176521212912427
Energy: 0.6051566252436357
Energy: 0.0821267478586149
Energy: 0.615046292252253
Energy: 0.6132752665155732
Energy: 0.6132602139510914
Energy: 0.6689857560077005
Energy: 0.6131251683624523
Energy: 0.7185006983354417
Energy: 0.6778746019388525
Energy: 0.08207502928978054
Energy: 0.08219722185252973
Energy: 0.6709436615087213
Energy: 0.08203692232848005
Energy: 0.08218017086320319
Energy: 0.6065412913378821
Energy: 0.08223091886399554
Energy: 0.13849596006450735
Energy: 0.6357175268146364
Energy: 0.0822696395151652
Energy: 0.1380034910089808
Energy: 0.345884436052626
Energy: 0.6600441899352164
Energy: 0.6610930275937944
Energy: 0.08205994859843246
Energy: 0.6608820628735811
Energy: 0.6600850044265469

minimum gb energy = 0.08176521212912427 eV
minimum distance =  2.44224257180443 Angstroms
sigma value = 3


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

Energy: 1.0346857340312479
Energy: 1.0438775898333197
Energy: 1.0605594459983632
Energy: 1.0348472028533486
Energy: 1.0102836883855648
Energy: 1.0359560944957706
Energy: 1.0242708299750531
Energy: 1.0214570456111058
Energy: 1.0205592886075714
Energy: 1.0560243875352342
Energy: 1.025924827282204
Energy: 1.0199432729755504
Energy: 1.0167907794777997
Energy: 0.9886415972901379
Energy: 0.9884062774179823
Energy: 1.0158753487014103
Energy: 0.9892165387244042
Energy: 1.014142729701839
Energy: 0.9529287584582885
Energy: 0.9884778146064641
Energy: 0.988198692748415
Energy: 0.9524687945973028
Energy: 0.8608288745785695
Energy: 1.0138691712090937
Energy: 0.8787508498472296
Energy: 1.0138725708258571
Energy: 1.0212143727110785
Energy: 0.8786874324153618
Energy: 1.025616016196807
Energy: 1.0198004506631753
Energy: 1.0003195695187224
Energy: 1.0203354043804052
Energy: 1.0178436272492672
Energy: 0.9722819155554606
Energy: 1.0200272595646696
Energy: 0.9718712941831144
Energy: 0.9893170764467125
Energy: 0.8856823382147205
Energy: 0.9649449675522488
Energy: 0.9896208730951286
Energy: 0.8892965227735152
Energy: 0.9640423072331432
Energy: 0.9612409485732273
Energy: 0.9781193185286237
Energy: 0.9776412980965866
Energy: 0.9621445036552465
Energy: 0.9452459488656021
Energy: 0.9200377647789436
Energy: 0.982693213311283
Energy: 0.9782613950817108
Energy: 0.9993748246210318
Energy: 1.0033635357876933
Energy: 0.8269769657516629
Energy: 0.9993050877628766
Energy: 0.8328206675148822
Energy: 0.8873271656223043
Energy: 0.887024058347662
Energy: 0.8310841657521745
Energy: 0.8907487028532067
Energy: 0.8863363424570007
Energy: 0.9777287088508868
Energy: 0.9860140151188266
Energy: 0.9853874018781752
Energy: 0.9508218701334643
Energy: 0.9562445426098094
Energy: 0.9499213482152533
Energy: 0.8330549061568298
Energy: 0.9883586556912157
Energy: 0.9858670884205998
Energy: 0.8307999696187989
Energy: 0.9707117584011189
Energy: 0.8301926520158563
Energy: 0.8257170937349714
Energy: 0.9321661672982653
Energy: 0.9529766283161385
Energy: 0.8261346298700372
Energy: 0.9319970658143002
Energy: 0.8263340780934604
Energy: 0.9440629250640173
Energy: 0.798119756677772
Energy: 0.9555586322804431
Energy: 0.9598931886301749
Energy: 0.79662775328775
Energy: 0.9588722034458876
Energy: 0.9677023655862292
Energy: 0.7888356428496948
Energy: 0.7892402090132151
Energy: 0.9683509199464135
Energy: 0.7887367870169675
Energy: 0.7890953241370107
Energy: 0.9660739097705056
Energy: 0.93543174353674
Energy: 0.9395025973690461
Energy: 0.9339056843425007
Energy: 0.9439084666821563
Energy: 0.9347842450312519
Energy: 0.7832983676795849
Energy: 0.9352358525896393
Energy: 0.9352705364106702
Energy: 0.7797232855869229
Energy: 0.9351383052945755
Energy: 0.7778291536938661
Energy: 0.7828131041980771
Energy: 0.9304978013074142
Energy: 0.9292308478414731
Energy: 0.7827915180015733
Energy: 0.9311468155813917
Energy: 0.7705314283805936
Energy: 0.9652664021578964
Energy: 0.9357862976259206
Energy: 0.945654851724989
Energy: 0.9314210996503061
Energy: 0.9559295378073476
Energy: 0.9454426079154009
Energy: 0.9570518170635345
Energy: 0.7740964560374006
Energy: 0.7736935448493367
Energy: 0.9494844118120933
Energy: 0.7815367304715556
Energy: 0.7743393816846037
Energy: 0.940094033995877
Energy: 0.9347215450699328
Energy: 0.9367225963676641
Energy: 0.9419163717012681
Energy: 0.9664330346035562
Energy: 0.9359042352555312
Energy: 0.8056362907016088
Energy: 0.9341105278008995
Energy: 0.862087829478177
Energy: 0.8062675342047542
Energy: 0.962455969906241
Energy: 0.7888821730550135
Energy: 0.7969152143547871
Energy: 0.9595693336407344
Energy: 0.9605118594172363
Energy: 0.7969085353817649
Energy: 0.9565085751830888
Energy: 0.9574733307400873
Energy: 0.9772654504150148
Energy: 0.8269157559722715
Energy: 0.8265349540290436
Energy: 0.9399718436422718
Energy: 0.8266728743378792
Energy: 0.9379865281460218
Energy: 0.8781985355576947
Energy: 0.8305781883172841
Energy: 0.830430048835964
Energy: 0.8782719209914506
Energy: 0.8335461599865134
Energy: 0.8305029831619507
Energy: 0.9554030744084068
Energy: 0.9635958519935265
Energy: 0.9632403148228388
Energy: 0.9554146440652297
Energy: 0.9353286966563441
Energy: 0.984810253834449
Energy: 0.8897504454944416
Energy: 0.9631726247296759
Energy: 0.9632816808419741
Energy: 0.8893762259118635
Energy: 0.88773711516293
Energy: 0.8887650871957674
Energy: 0.8502436862119486
Energy: 1.001948541301698
Energy: 0.9994250237168367
Energy: 0.8502500205547548
Energy: 1.0076981709328419
Energy: 0.9987800849221502
Energy: 0.9606987689462756
Energy: 0.9541296867013975
Energy: 0.9599659313274361
Energy: 0.9596122918980664
Energy: 0.9498597084521037
Energy: 0.9593044571676377
Energy: 0.8875193703911104
Energy: 0.9589541220934688
Energy: 0.9580999218901013
Energy: 0.8849296001287646
Energy: 0.9640666820210827
Energy: 1.0355935941749148
Energy: 0.9611172692060309
Energy: 0.9904613283461517
Energy: 0.9902145958398777
Energy: 0.9610687702799251
Energy: 0.9513193215174306
Energy: 0.9899725240189372
Energy: 1.05311983729655
Energy: 0.9904408084042049
Energy: 0.9964979389149865
Energy: 1.0221147705743052
Energy: 0.8450680858790257
Energy: 1.0198459216095925
Energy: 0.9046244999259031
Energy: 0.9503359674495052
Energy: 0.9500871884176617
Energy: 0.9050513114566922
Energy: 0.9516233035980939
Energy: 0.9760192983377167

minimum gb energy = 0.7705314283805936 eV
minimum distance =  2.29684742921944 Angstroms
sigma value = 67


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

Energy: 1.2790788670921627
Energy: 1.2632015719025613
Energy: 1.277561604380565
Energy: 1.2030861418880283
Energy: 1.2543586564494986
Energy: 1.2877809281348231
Energy: 1.1655525536098952
Energy: 1.19976765933807
Energy: 1.1983005543257987
Energy: 1.2450568704943383
Energy: 1.20396354617386
Energy: 1.225968235273451
Energy: 1.2811897715314606
Energy: 1.1700204845780533
Energy: 1.1932493404416378
Energy: 1.1988193737388688
Energy: 1.1711444705117517
Energy: 1.194085860578768
Energy: 1.1559974246012763
Energy: 1.1927098638442344
Energy: 1.1925879756757742
Energy: 1.1574268202664593
Energy: 1.1001228392870512
Energy: 1.1933997498544475
Energy: 1.1097043414215957
Energy: 1.1991812095467012
Energy: 1.2267054543935023
Energy: 1.109723191047522
Energy: 1.202950328286505
Energy: 1.2249573114692898
Energy: 1.2370671576043037
Energy: 1.1985451870475294
Energy: 1.1742965978677737
Energy: 1.1723664752112803
Energy: 1.1986354051743138
Energy: 1.1727377004914457
Energy: 1.1111333849838945
Energy: 1.1449406754142728
Energy: 1.1117179651811744
Energy: 1.111195697236351
Energy: 1.1164982151360077
Energy: 1.1369778087871762
Energy: 1.1596749707764407
Energy: 1.1643377527583447
Energy: 1.1694321830553283
Energy: 1.1604973760220536
Energy: 1.164024393717992
Energy: 1.1092636688118247
Energy: 1.1538320211910453
Energy: 1.1973111225302087
Energy: 1.1960377421599921
Energy: 1.1992181488240263
Energy: 1.014851141472696
Energy: 1.2040047715737041
Energy: 0.9705022519416052
Energy: 1.023529388441033
Energy: 1.0224595647238535
Energy: 0.9708151356289464
Energy: 1.023450321779446
Energy: 1.0157248525673037
Energy: 1.0828888208871348
Energy: 1.1583441478555434
Energy: 1.180097222680662
Energy: 1.1666666545299467
Energy: 1.1463404381655282
Energy: 1.1706288411543104
Energy: 0.9716162264096134
Energy: 1.1578996385968814
Energy: 1.1551564522002722
Energy: 0.9711288864443547
Energy: 1.1575473029838088
Energy: 0.9709814839947268
Energy: 0.9780284538176238
Energy: 1.1525584410765657
Energy: 1.150422941161716
Energy: 0.9769074898861045
Energy: 1.150136421187873
Energy: 0.9755979292008465
Energy: 1.1528515303825368
Energy: 1.0886369968559444
Energy: 1.150382533491528
Energy: 1.1489419501584184
Energy: 1.1708408080544561
Energy: 1.1497275393839212
Energy: 1.1556168649328473
Energy: 0.9830188160959586
Energy: 0.9773772172833934
Energy: 1.1569283014402074
Energy: 0.9795232290571568
Energy: 0.9731601053076021
Energy: 1.1371834148459274
Energy: 1.1553849880718596
Energy: 1.161840786944867
Energy: 1.1623891241313253
Energy: 1.080764150246392
Energy: 1.1581744163034426
Energy: 1.0374488982145937
Energy: 1.1581423587876591
Energy: 1.1538413446997222
Energy: 1.0387247136329614
Energy: 1.1507650621554946
Energy: 1.021365188122279
Energy: 1.0159592742062988
Energy: 1.1960313202116972
Energy: 1.1983437129586854
Energy: 1.016003219762548
Energy: 1.1690287621138182
Energy: 1.1227321811869526
Energy: 1.1950125579909838
Energy: 1.1573365163748663
Energy: 1.1649420966836654
Energy: 1.177358401638378
Energy: 1.1558860290198418
Energy: 1.1738231771907368
Energy: 1.0142764896331091
Energy: 1.1186311726361726
Energy: 1.1383226792288768
Energy: 1.115007004428407
Energy: 1.1140751967429707
Energy: 1.1373855910237696
Energy: 1.118285007335794
Energy: 1.22291445545769
Energy: 1.2220048286192475
Energy: 1.1183179445784388
Energy: 0.9825507916400023
Energy: 1.167283238383599
Energy: 1.280957462945017
Energy: 1.166978195419431
Energy: 1.169036799200409
Energy: 1.1978917650952117
Energy: 1.1700092811487606
Energy: 1.1705101057913576
Energy: 1.1657354314562618
Energy: 1.116201722742756
Energy: 1.1995453906888556
Energy: 1.1657471009247162
Energy: 1.1144360582780193
Energy: 1.225777477536777

minimum gb energy = 0.9705022519416052 eV
minimum distance =  2.29200453014075 Angstroms
sigma value = 33


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

Energy: 1.8690192969002608
Energy: 1.398585164684364
Energy: 1.3997118098548234
Energy: 1.3943700611230854
Energy: 1.4930851731106252
Energy: 1.3973358081376053
Energy: 1.2640750813380317
Energy: 1.3093675718820956
Energy: 1.3092278180270849
Energy: 1.3751470391390863
Energy: 1.3141438817284752
Energy: 1.3439502767665923
Energy: 1.3928176545325548
Energy: 1.3393213937116917
Energy: 1.339340263415112
Energy: 1.3932956273038113
Energy: 1.3405307662661121
Energy: 1.3396686330155887
Energy: 1.2117126972486605
Energy: 1.340290959416201
Energy: 1.34041819155063
Energy: 1.2116720933474967
Energy: 1.1936428971724644
Energy: 1.3406476112018497
Energy: 1.1967669143719473
Energy: 1.3093362427311708
Energy: 1.3469621862844472
Energy: 1.1967922814049454
Energy: 1.3126802215046656
Energy: 1.3439663273987252
Energy: 1.2104535913321544
Energy: 1.372021779390761
Energy: 1.3440471155874263
Energy: 1.3233537976947323
Energy: 1.3725512838305187
Energy: 1.323801120875338
Energy: 1.1972892059152067
Energy: 1.348824563485803
Energy: 1.3475345011228381
Energy: 1.1971544153432128
Energy: 1.3466147898131096
Energy: 1.2318914353087853
Energy: 1.2111956339372638
Energy: 1.3102486588909745
Energy: 1.310024075635734
Energy: 1.21138037546415
Energy: 1.311179835999662
Energy: 1.2442102742981818
Energy: 1.2773705299287064
Energy: 1.3113009460404061
Energy: 1.312921015667995
Energy: 1.3045010913157837
Energy: 1.099445255344057
Energy: 1.3078283229731458
Energy: 1.2854565315481778
Energy: 1.099554701276227
Energy: 1.0994306365232411
Energy: 1.286866381371303
Energy: 1.1010368271374071
Energy: 1.099027913750648
Energy: 1.1976971356529076
Energy: 1.2144179802601132
Energy: 1.2818210688020122
Energy: 1.2809554407629025
Energy: 1.1911673691520261
Energy: 1.2835739228426812
Energy: 1.0986647071148603
Energy: 1.2846387653206932
Energy: 1.2845742870508232
Energy: 1.0976568821077846
Energy: 1.270724041253616
Energy: 1.0983340494167844
Energy: 1.0973747481070897
Energy: 1.3042322091135372
Energy: 1.3056497621898717
Energy: 1.0973472163296538
Energy: 1.2806812312540017
Energy: 1.097808068112462
Energy: 1.0763479859940568
Energy: 1.3201901433146
Energy: 1.3029805605544469
Energy: 1.2879223266933337
Energy: 1.337439377107822
Energy: 1.2914512622432053
Energy: 1.1808394485554063
Energy: 1.1969539208258544
Energy: 1.2357076639538216
Energy: 1.1808948554765948
Energy: 1.1998215598753479
Energy: 1.2326430465214098
Energy: 1.2047208072899485
Energy: 1.3318455698772567
Energy: 1.3316230215409808
Energy: 1.232059779198508
Energy: 1.12449402159971
Energy: 1.2347788471507444
Energy: 1.3928676126265893
Energy: 1.3308433000339541
Energy: 1.3308765831704996
Energy: 1.326457004470503
Energy: 1.3526534201673934
Energy: 1.3303954403037679
Energy: 1.3753003035061464
Energy: 1.3094925233673043
Energy: 1.309081280206215
Energy: 1.3752299659807836
Energy: 1.3111542653268937
Energy: 1.3261958568305618
Energy: 1.343725798581386
Energy: 1.3276469019735424
Energy: 1.348863684134522
Energy: 1.3547579990948482
Energy: 1.3275708919585583
Energy: 1.3157557848283812
Energy: 1.2641428052560055
Energy: 1.309214388714626
Energy: 1.3091791352185238
Energy: 1.2642552898801545
Energy: 1.3136358326911146
Energy: 1.309456678472745
Energy: 1.392907485945014
Energy: 1.34074898879774
Energy: 1.3403686140024555
Energy: 1.394205520517537
Energy: 1.3208764908352806
Energy: 1.3409386666111573
Energy: 1.3290576069620361
Energy: 1.339549119385877
Energy: 1.3396336677458132
Energy: 1.3276817639229015
Energy: 1.340504849614345
Energy: 1.3396991269995717
Energy: 1.197083443476259
Energy: 1.30954700826596
Energy: 1.3472722669040063
Energy: 1.1971971482535066
Energy: 1.3140488826603294
Energy: 1.344165969413223
Energy: 1.098210130344708
Energy: 1.3730449447755855
Energy: 1.3447274654244479
Energy: 1.324428682311016
Energy: 1.371775104190126
Energy: 1.2973125920093034
Energy: 1.1971706679533596
Energy: 1.3490266509046345
Energy: 1.3473254169363043
Energy: 1.1972182102738835
Energy: 1.3464400550872953
Energy: 1.347908672916374
Energy: 1.2118139726052235
Energy: 1.3104620462533842
Energy: 1.3107449218805995
Energy: 1.2135710047978578
Energy: 1.3107813318986523
Energy: 1.2332145388696287
Energy: 1.2828901136618633
Energy: 1.310225048132772
Energy: 1.310290733256552
Energy: 1.285430237064537
Energy: 1.099291439668301
Energy: 1.3209016838415752
Energy: 1.2826655934389808
Energy: 1.0995278205931103
Energy: 1.0994315793388096
Energy: 1.2846461804459441
Energy: 1.101955302359547
Energy: 1.0986418200061216
Energy: 1.196154214189659
Energy: 1.19087662154936
Energy: 1.283123492334685
Energy: 1.2834352042746842
Energy: 1.1913669161567242
Energy: 1.2840850284972318
Energy: 1.0972389890175223
Energy: 1.2821689487280297
Energy: 1.282271368017589
Energy: 1.0972288137075998
Energy: 1.272235328167627
Energy: 1.0983853509712447
Energy: 1.0995139741343096
Energy: 1.303323372549838
Energy: 1.215098005546254
Energy: 1.098010603288518
Energy: 1.2810146445405493
Energy: 1.0982724535436919
Energy: 1.0697226353913383
Energy: 1.3102229539720738
Energy: 1.321949584503281
Energy: 1.2838140498112514
Energy: 1.3382011372251943
Energy: 1.2901968131705972
Energy: 1.0706839844278495
Energy: 1.1981848662104213
Energy: 1.2323757066773504
Energy: 1.070689245176941
Energy: 1.213698806254377
Energy: 1.2328531930105289
Energy: 1.2110640189084003
Energy: 1.2473453640252214
Energy: 1.231842090849516
Energy: 1.2324933925248096
Energy: 1.124354471022791
Energy: 1.2355877569007507
Energy: 1.385431639681618
Energy: 1.3531926780464323
Energy: 1.3522139918225708
Energy: 1.3876149531722475
Energy: 1.2865094565983108
Energy: 1.3172880840719476
Energy: 1.3753863040214462
Energy: 1.3092183106383983
Energy: 1.312098461943221
Energy: 1.3755480962562596
Energy: 1.310126634429456
Energy: 1.343929316064899
Energy: 1.3433713643883742
Energy: 1.326158616356377
Energy: 1.3457413346188034
Energy: 1.3541756686918336
Energy: 1.3274672143869914
Energy: 1.315733277784305

minimum gb energy = 1.0697226353913383 eV
minimum distance =  2.29225244240698 Angstroms
sigma value = 41


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

Energy: 1.7365445578673013
Energy: 1.5674084984326502
Energy: 1.560462526858806
Energy: 1.738942460973102
Energy: 1.9960217589426128
Energy: 1.5601424790363607
Energy: 1.338220361077012
Energy: 1.4217340335656805
Energy: 1.420706412958213
Energy: 1.4847814569858546
Energy: 1.5347690761358599
Energy: 1.420775226060745
Energy: 1.5309329850607365
Energy: 1.4710113766853863
Energy: 1.470929426310541
Energy: 1.423018584104682
Energy: 1.4710862506090203
Energy: 1.417002243005134
Energy: 1.4282057364039966
Energy: 1.4704634021817964
Energy: 1.4705838024104512
Energy: 1.428748886282579
Energy: 1.276294559553012
Energy: 1.421342597209823
Energy: 1.2788417851170872
Energy: 1.4226642404154488
Energy: 1.421328134430447
Energy: 1.278814862975714
Energy: 1.4240307903268945
Energy: 1.478744456214116
Energy: 1.4649500507971687
Energy: 1.478360964448526
Energy: 1.4763223977393847
Energy: 1.4657446472774827
Energy: 1.4870241765374885
Energy: 1.4769560156393784
Energy: 1.2777806540354846
Energy: 1.47835222912435
Energy: 1.4747646270506796
Energy: 1.2778146957788294
Energy: 1.4771118259880986
Energy: 1.279894566098769
Energy: 1.2815259984214817
Energy: 1.4530776784503117
Energy: 1.3386420707749729
Energy: 1.2825535599810054
Energy: 1.4505604344214122
Energy: 1.2790847928010491
Energy: 1.444662745856323
Energy: 1.4587104120382914
Energy: 1.4523192741976154
Energy: 1.4520385299411276
Energy: 1.3372738384973546
Energy: 1.4509945240798197
Energy: 1.3612387509003707
Energy: 1.2798615480582036
Energy: 1.279154076339647
Energy: 1.3546191096585898
Energy: 1.281048535111661
Energy: 1.337695630423233
Energy: 1.468711926366901
Energy: 1.2792905301442312
Energy: 1.4762840710349772
Energy: 1.4746425126158245
Energy: 1.2145167125582128
Energy: 1.4775010143026739
Energy: 1.4588903320639885
Energy: 1.4471642437634316
Energy: 1.4470148211751346
Energy: 1.4594967925894493
Energy: 1.4468890134819012
Energy: 1.3986399376419911
Energy: 1.4861332817042825
Energy: 1.4197453393729726
Energy: 1.4209589070424826
Energy: 1.4813178843556958
Energy: 1.4208105001793736
Energy: 1.4226904630868784
Energy: 1.4772502565317176
Energy: 1.421830146149825
Energy: 1.4845077708647125
Energy: 1.477281528954536
Energy: 1.4222392407367939
Energy: 1.481888591841283

minimum gb energy = 1.2145167125582128 eV
minimum distance =  2.31996771394653 Angstroms
sigma value = 11


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

Energy: 2.143229228313338
Energy: 1.6472925393476845
Energy: 1.7326613212704907
Energy: 1.6358879812615872
Energy: 1.6763600624046462
Energy: 1.7859261512569073
Energy: 1.632152241174538
Energy: 1.4074110613369224
Energy: 1.4074665917157674
Energy: 1.711801121569836
Energy: 1.4414163577063857
Energy: 1.4083724835660563
Energy: 1.702945908440979
Energy: 1.5522734223647017
Energy: 1.5011144322331582
Energy: 1.7028893709205857
Energy: 1.517554944372163
Energy: 1.5047773633459702
Energy: 1.5481157350238066
Energy: 1.5572583451366564
Energy: 1.565659614729692
Energy: 1.549028101032016
Energy: 1.378932360158747
Energy: 1.5664219721195325
Energy: 1.5031545956068975
Energy: 1.4067587650320483
Energy: 1.4065472908786996
Energy: 1.5034564700997184
Energy: 1.4067438328205448
Energy: 1.4071274740064863
Energy: 1.6775235823794192
Energy: 1.439193146420863
Energy: 1.5262751970706874
Energy: 1.5069540441814409
Energy: 1.4392979014723914
Energy: 1.5709542547473483
Energy: 1.4392539183364548
Energy: 1.5498654777907597
Energy: 1.523596857379776
Energy: 1.4393183011788646
Energy: 1.5294168218604494
Energy: 1.5227461384289467
Energy: 1.4413961621721831
Energy: 1.5279895377197072
Energy: 1.4086028205708838
Energy: 1.4416066810069657
Energy: 1.5041996005829268
Energy: 1.4063107075092633
Energy: 1.4161734449473913
Energy: 1.5052441880997782
Energy: 1.504385205231438
Energy: 1.3969677327430827
Energy: 1.630950480038333
Energy: 1.5464146618577488
Energy: 1.4157826625899608
Energy: 1.5051872464200493
Energy: 1.5047496067233461
Energy: 1.4161684398950267
Energy: 1.504409345530744
Energy: 1.536370311795053
Energy: 1.4415632188497662
Energy: 1.5259025733204639
Energy: 1.458536377323005
Energy: 1.4413747411197357
Energy: 1.4422528804909198
Energy: 1.4081997756282139
Energy: 1.42057337358111
Energy: 1.5218161299966684
Energy: 1.5029012145290062
Energy: 1.4217409550279065
Energy: 1.5173052144516213
Energy: 1.5036856355440105
Energy: 1.4061942134820296
Energy: 1.5036107531514873
Energy: 1.5043061020105093
Energy: 1.4063260866949312
Energy: 1.6653613698976957
Energy: 1.4587882253216278
Energy: 1.4682496109127676
Energy: 1.504582280835938
Energy: 1.504664590541136
Energy: 1.5115536998902526
Energy: 1.7635487846050206
Energy: 1.504451269250118
Energy: 1.3827189874248778
Energy: 1.524992218004911
Energy: 1.5251983058306373
Energy: 1.3827576352865503
Energy: 1.5055695468771495
Energy: 1.5475108347374322
Energy: 1.3836761560341544
Energy: 1.5301996132398603
Energy: 1.3815501771906622
Energy: 1.3850307438933256
Energy: 1.5477243881189255
Energy: 1.38124807407861
Energy: 1.381179660126269
Energy: 1.559715891338951
Energy: 1.5624671107175967
Energy: 1.3811937458487589
Energy: 1.5455948491847973
Energy: 1.5719261493029255
Energy: 1.7428016260877952
Energy: 1.5663520928989678
Energy: 1.5377513260370486
Energy: 1.6035704979890684
Energy: 1.5675220876252163
Energy: 1.4829032519052734
Energy: 1.4437708940811502
Energy: 1.4449938029446063
Energy: 1.4445951567115378
Energy: 1.4438643857645415
Energy: 1.5672640601915844
Energy: 1.4925335552555525
Energy: 1.5247932219007274
Energy: 1.5879427404904645
Energy: 1.5334857916421878
Energy: 1.5266381976584673
Energy: 1.5578016607388674
Energy: 1.4703107613812827
Energy: 1.5695810424657897
Energy: 1.5956562254042437
Energy: 1.4652699407307197
Energy: 1.5715672906350249
Energy: 1.3811958143253136
Energy: 1.5059833159581537
Energy: 1.4396073630496373
Energy: 1.445331900333454
Energy: 1.4450694408428002
Energy: 1.4050276311525378
Energy: 1.4889130598895166
Energy: 1.4458486176024878
Energy: 1.496610500455053
Energy: 1.5344761069043293
Energy: 1.5009312479917638
Energy: 1.549519018822604
Energy: 1.5270266093019875
Energy: 1.500405666808968
Energy: 1.5667804124200384
Energy: 1.4447464445172287
Energy: 1.5202970064791295
Energy: 1.5666632740618218
Energy: 1.4442450558125182
Energy: 1.462567002626208
Energy: 1.5673474006587946
Energy: 1.5492633653641041
Energy: 1.5280242051907744
Energy: 1.5689571891131442
Energy: 1.6543540398629555
Energy: 1.5284952841265451
Energy: 1.5733541409585985
Energy: 1.3805921540710726
Energy: 1.56175092512884
Energy: 1.54259367256718
Energy: 1.3815391815317888
Energy: 1.580097605312575
Energy: 1.5503159554647161
Energy: 1.381958854366821
Energy: 1.3812240355744123
Energy: 1.549613666692494
Energy: 1.382384214103326
Energy: 1.3812486578126104
Energy: 1.5475361679300803
Energy: 1.3816742826735602
Energy: 1.5488675009649302
Energy: 1.5246564999588046
Energy: 1.3833382861294319
Energy: 1.5478199338059806
Energy: 1.7703722204977883
Energy: 1.5130674507729258
Energy: 1.4927560228517947
Energy: 1.711408705401623
Energy: 1.5138295486975355
Energy: 1.4931378475010997
Energy: 1.7113282591713779
Energy: 1.4061455434307408
Energy: 1.4592077832946246
Energy: 1.712954703650472
Energy: 1.4060318527098474
Energy: 1.5449042410451108
Energy: 2.1471199355133095
Energy: 1.421878578693802
Energy: 1.4699643955763226
Energy: 1.5634880110232616
Energy: 1.4225873061969088
Energy: 1.4694429121039225

minimum gb energy = 1.378932360158747 eV
minimum distance =  2.30957166516214 Angstroms
sigma value = 57


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

Energy: 1.9357813139064748
Energy: 1.6639455520077682
Energy: 1.69521740297207
Energy: 1.9392800509429897
Energy: 2.1308099472734225
Energy: 1.698982528179913
Energy: 1.3456259250336455
Energy: 1.4153519384616637
Energy: 1.3856259267493964
Energy: 1.5476949637247976
Energy: 1.5516494557589315
Energy: 1.4036461412806196
Energy: 1.5223901617875064
Energy: 1.3995125668526507
Energy: 1.3772890477193145
Energy: 1.513109352779191
Energy: 1.4085354502464302
Energy: 1.3847425033266176
Energy: 1.5117605803472716
Energy: 1.4038977263689127
Energy: 1.380082598763855
Energy: 1.5137459472289534
Energy: 1.4067512444209986
Energy: 1.3811598913729897
Energy: 1.4127956043930396
Energy: 1.3810649221766946
Energy: 1.381724785923997
Energy: 1.4129917302942994
Energy: 1.37965985944675
Energy: 1.3793976812907525
Energy: 1.4612703143801933
Energy: 1.4016850552296116
Energy: 1.4012850784588013
Energy: 1.4156018864994202
Energy: 1.5121822312288884
Energy: 1.4143936187455368
Energy: 1.5130802932566587
Energy: 1.4463857473211115
Energy: 1.4469755261636044
Energy: 1.5150134043971686
Energy: 1.4501876295786815
Energy: 1.400960592710949
Energy: 1.547567565502359
Energy: 1.4047407069680948
Energy: 1.3833946967040478
Energy: 1.5495394749586568
Energy: 1.4138000634232055
Energy: 1.381828328349592
Energy: 1.3461011869711856
Energy: 1.3792145253648564
Energy: 1.3479271741145682
Energy: 1.3520993078370815
Energy: 1.513664913273633
Energy: 1.347116674220732
Energy: 1.3461465385508093
Energy: 1.379152908266989
Energy: 1.3477715529632655
Energy: 1.4277119722025093
Energy: 1.5191022873309783
Energy: 1.3468692439295413
Energy: 1.5476162984316517
Energy: 1.40377341253558
Energy: 1.4045441275850252
Energy: 1.549553479863188
Energy: 1.4136447169186213
Energy: 1.382425552698646
Energy: 1.5066010216806267
Energy: 1.5767493951148712
Energy: 1.5779795817936157
Energy: 1.5078336530161671
Energy: 1.693032128523919
Energy: 1.3794915762211752
Energy: 1.4128067001053803
Energy: 1.4149153812398634
Energy: 1.4150215007153666
Energy: 1.4147321866802793
Energy: 1.4163518772474424
Energy: 1.5325820332581557
Energy: 1.6990988289736966
Energy: 1.381068399322861
Energy: 1.3793955512009743
Energy: 1.4154927382332396
Energy: 1.5163626349374983
Energy: 1.3796595656054003
Energy: 1.512052010672978
Energy: 1.4472359873648142
Energy: 1.3830557483168935
Energy: 1.5121963579057345
Energy: 1.4481670331591956
Energy: 1.381174809280335
Energy: 1.521839918206462
Energy: 1.447169022800682
Energy: 1.4273721899834673
Energy: 1.5220914794939413
Energy: 1.4474837607409703
Energy: 1.3849817403144158
Energy: 1.3455958548673015
Energy: 1.4137917619334708
Energy: 1.4146713472183217
Energy: 1.3457112378970704
Energy: 1.4158542768155264
Energy: 1.4143666716008605

minimum gb energy = 1.3455958548673015 eV
minimum distance =  2.31503745051771 Angstroms
sigma value = 9


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

Energy: 2.261081293322834
Energy: 1.6142329953160814
Energy: 1.6684403417201004
Energy: 1.5377162173138363
Energy: 1.5470483790515301
Energy: 1.529424447347678
Energy: 1.6112330361848204
Energy: 1.5203955182705122
Energy: 1.4882299149525264
Energy: 1.5768506677037126
Energy: 1.5370346604230172
Energy: 1.49971383163914
Energy: 1.5428210909425861
Energy: 1.6317486184155539
Energy: 1.501525294835711
Energy: 1.5442440479616948
Energy: 1.525376662593915
Energy: 1.6055513576401512
Energy: 1.4847207992246503
Energy: 1.5078339327794754
Energy: 1.4863137731373488
Energy: 1.4844637930885647
Energy: 1.4993735278176576
Energy: 1.5059967792399231
Energy: 1.5394190354874726
Energy: 1.458555862527902
Energy: 1.4984438076903328
Energy: 1.53941691939635
Energy: 1.5198133160377187
Energy: 1.5103907375051828
Energy: 1.4786944346285855
Energy: 1.471839685336415
Energy: 1.4672728650485516
Energy: 1.4805958453185217
Energy: 1.5169895888606308
Energy: 1.466676702692305
Energy: 1.4934763961987976
Energy: 1.5769418673677449
Energy: 1.5308719172969587
Energy: 1.4942864740624668
Energy: 1.5046889937872097
Energy: 1.5265355627002142
Energy: 1.5717663931055013
Energy: 1.463059518161251
Energy: 1.4723429078748367
Energy: 1.5732245890908316
Energy: 1.465058796284225
Energy: 1.4741844235592105
Energy: 1.680245067450508
Energy: 1.5440302687378409
Energy: 1.5146540993395647
Energy: 1.5283068786392533
Energy: 1.56009883819328
Energy: 1.5109414023149508
Energy: 1.594075029931274
Energy: 1.513312961160427
Energy: 1.5146771639145136
Energy: 1.5522357088377494
Energy: 1.4948175340842935
Energy: 1.498439204767916
Energy: 1.5721593001272418
Energy: 1.4676999368710824
Energy: 1.4677647948524344
Energy: 1.5739821211275122
Energy: 1.4667606898563197
Energy: 1.4779904318979338
Energy: 1.5350982918967813
Energy: 1.488368076592755
Energy: 1.5025162756350792
Energy: 1.536617523200084
Energy: 1.5159852499116415
Energy: 1.5099656301958515
Energy: 1.7530297681366909
Energy: 1.5648456282049827
Energy: 1.6041762805021502
Energy: 1.481656044780772
Energy: 1.5686344280617022
Energy: 1.683950400508201
Energy: 1.6035458370500488
Energy: 1.5066188251573458
Energy: 1.5068715942697966
Energy: 1.6039494445319469
Energy: 1.5546372135160473
Energy: 1.4856424380004405
Energy: 1.5341409636849803
Energy: 1.4636522635025908
Energy: 1.463720154382249
Energy: 1.5349215746458342
Energy: 1.5258122733025608
Energy: 1.5185846947565642
Energy: 1.5149811423572261
Energy: 1.4929659994035012
Energy: 1.514012475469094
Energy: 1.5146924304551095
Energy: 1.5623902391072197
Energy: 1.5133064592714343
Energy: 1.5049574446307443
Energy: 1.5018911413626468
Energy: 1.4860374265043614
Energy: 1.505570292810763
Energy: 1.5343463358895093
Energy: 1.4860780215965428
Energy: 1.6495511794085218
Energy: 1.5972440474330303
Energy: 1.6128414098785238
Energy: 1.651444259532276
Energy: 1.5891214780516187
Energy: 1.6145375633389873
Energy: 1.5090777720026658
Energy: 1.4880100406190626
Energy: 1.5011853604286352
Energy: 1.5091324845677527
Energy: 1.569687976738391
Energy: 1.4981596788509397
Energy: 1.5052148593097823
Energy: 1.4879060845451275
Energy: 1.487013221290161
Energy: 1.505328460746964
Energy: 1.5245506572318956
Energy: 1.5031534485672775
Energy: 1.5329196665029599
Energy: 1.5223660818274811
Energy: 1.5187724222134427
Energy: 1.4691556453276542
Energy: 1.5194398076492586
Energy: 1.506010816293023

minimum gb energy = 1.458555862527902 eV
minimum distance =  2.28147286480145 Angstroms
sigma value = 27


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

Energy: 1.9237004167681462
Energy: 1.5685051765751439
Energy: 1.7406531151516673
Energy: 1.7371788324961104
Energy: 2.0112330283256905
Energy: 1.5673480480633055
Energy: 1.5655377390288192
Energy: 1.582961628378427
Energy: 1.6008659784554307
Energy: 1.6142934605794037
Energy: 1.577702199418689
Energy: 1.5302124875037424
Energy: 1.6560891445655128
Energy: 1.6651138215091412
Energy: 1.5218170568826117
Energy: 1.4744240645501432
Energy: 1.4836238454257435
Energy: 1.6499753744857064
Energy: 1.7063951712332461
Energy: 1.6484725196132228
Energy: 1.6220557069632526
Energy: 1.5844756876849209
Energy: 1.463814058233862
Energy: 1.6368752744207788
Energy: 1.49376694524026
Energy: 1.5788921585437554
Energy: 1.6195879121305243
Energy: 1.487215410658826
Energy: 1.6747611200555146
Energy: 1.5651069517776686
Energy: 1.6751626599391662
Energy: 1.579686594655834
Energy: 1.5765198242307112
Energy: 1.6246929603230666
Energy: 1.643028525237397
Energy: 1.5762319417325614
Energy: 1.6884829647324013
Energy: 1.5679487599595707
Energy: 1.566473570195744
Energy: 1.4991501931629327
Energy: 1.665515824141738
Energy: 1.566324294957227
Energy: 1.655084269975587
Energy: 1.5821641022101045
Energy: 1.5740907023349051
Energy: 1.6418526444405126
Energy: 1.5557934741605393
Energy: 1.673115491777172
Energy: 1.7401732309558071
Energy: 1.6468747130506811
Energy: 1.5909625652647392
Energy: 1.5743577415523466
Energy: 1.6476168646795868
Energy: 1.5964900999050624
Energy: 1.7400251716681776
Energy: 1.555520580318151
Energy: 1.5595518666738362
Energy: 1.575081386350999
Energy: 1.554348225723617
Energy: 1.5567079314938268
Energy: 1.68531892340827
Energy: 1.6268092191353487
Energy: 1.70398728432825
Energy: 1.6640705120081252
Energy: 1.4835854046424473
Energy: 1.6166347424203251
Energy: 1.5759594773579624
Energy: 1.521508976769942
Energy: 1.5324263996697485
Energy: 1.5761185407530918
Energy: 1.4968662664357313
Energy: 1.5324704027267344
Energy: 1.6089442589064356
Energy: 1.6058597999963755
Energy: 1.613359069498637
Energy: 1.6107104955241738
Energy: 1.6026523130576011
Energy: 1.613115792472443
Energy: 1.6710081770013525
Energy: 1.608748992329652
Energy: 1.6215107375446791
Energy: 1.5996326843555497
Energy: 1.6023847420802702
Energy: 1.6171754287843392
Energy: 1.5752518908468578
Energy: 1.5214543752880405
Energy: 1.532483058104324
Energy: 1.5773065880499249
Energy: 1.5224996304542429
Energy: 1.540394171503813
Energy: 1.627544211031419
Energy: 1.5614516349311984
Energy: 1.5741736368334456
Energy: 1.5836683763198631
Energy: 1.55023866730301
Energy: 1.5732734515840996
Energy: 1.505108607099878
Energy: 1.5935492316120852
Energy: 1.592780154793057
Energy: 1.4956742310650546
Energy: 1.6198409322657912
Energy: 1.5904238561033839
Energy: 1.6101869343132158
Energy: 1.6108449921064787
Energy: 1.582685097804123
Energy: 1.5849764784635663
Energy: 1.6447238879638821
Energy: 1.5772681618431648
Energy: 1.641459386841932
Energy: 1.543220642006546
Energy: 1.5427684749123307
Energy: 1.627783992472351
Energy: 1.5550065060139107
Energy: 1.5418598341366423
Energy: 1.701303355521363
Energy: 1.5678260929356798
Energy: 1.5442861736131575
Energy: 1.501907656660449
Energy: 1.555268281054855
Energy: 1.5417920681058517
Energy: 1.8244358775155642
Energy: 1.6284159359848145
Energy: 1.657378873013225
Energy: 1.6637730438111606
Energy: 1.6540389759162795
Energy: 1.6413846826047749
Energy: 1.4880237158237941
Energy: 1.6054041519029372
Energy: 1.595286689763817
Energy: 1.4823895968104706
Energy: 1.6062192960686899
Energy: 1.5472780425749582
Energy: 1.8433261010359976
Energy: 1.6497256904008266
Energy: 1.6273624608571027
Energy: 1.6938327151826416
Energy: 1.6294863147362502
Energy: 1.650412246490899
Energy: 1.6561371363664452
Energy: 1.631931200736474
Energy: 1.5072440852656792
Energy: 1.4731084890276964
Energy: 1.606277535108603
Energy: 1.647451825589361
Energy: 1.607658630646049
Energy: 1.6280967657276244
Energy: 1.6074650726843387
Energy: 1.5253431436327964
Energy: 1.620929575058947
Energy: 1.5536358761337945

minimum gb energy = 1.463814058233862 eV
minimum distance =  2.25515270091333 Angstroms
sigma value = 19


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

Energy: 2.1799140285040193
Energy: 1.5824396314196556
Energy: 1.5899783633323952
Energy: 1.506495306496321
Energy: 1.5981969741148863
Energy: 1.5559458516563203
Energy: 1.6411807735667185
Energy: 1.5281916442230932
Energy: 1.5226576280050999
Energy: 1.7358845580799962
Energy: 1.521239717848196
Energy: 1.5237493807171605
Energy: 1.5286963700496108
Energy: 1.4176677225304628
Energy: 1.4880400587933371
Energy: 1.5281659905378904
Energy: 1.4183411842667584
Energy: 1.4947783918111865
Energy: 1.5220255408134418
Energy: 1.5276397453795394
Energy: 1.5280903042046476
Energy: 1.5207799319658855
Energy: 1.525306669791766
Energy: 1.5261328859462684
Energy: 1.4346280500698931
Energy: 1.5219392701371675
Energy: 1.5191906288564925
Energy: 1.436383413306085
Energy: 1.5294186225494313
Energy: 1.5082885589133033
Energy: 1.567664816797434
Energy: 1.5277832734838153
Energy: 1.5285850775395589
Energy: 1.5612939125226526
Energy: 1.6168197719195705
Energy: 1.5267894758855263
Energy: 1.5822829671253347
Energy: 1.5305976765871425
Energy: 1.5264276530553516
Energy: 1.5825578020723363
Energy: 1.521543299870684
Energy: 1.5336553869608787
Energy: 1.5207409437827313
Energy: 1.4958174661526715
Energy: 1.5225948583617925
Energy: 1.5271227610712497
Energy: 1.5377801353787264
Energy: 1.519689924255898
Energy: 1.4182046935257437
Energy: 1.5015368150304338
Energy: 1.4909405339018034
Energy: 1.4171379051786688
Energy: 1.5288010939594876
Energy: 1.494854137482949
Energy: 1.4165097463126237
Energy: 1.5073270330880597
Energy: 1.5057400413765185
Energy: 1.4175520192876783
Energy: 1.4920114049358741
Energy: 1.506367657912884
Energy: 1.521042391437695
Energy: 1.3945988547884993
Energy: 1.394548752619129
Energy: 1.5212245071068098
Energy: 1.3942678441527685
Energy: 1.394388198805473
Energy: 1.599157242542465
Energy: 1.5082859084520612
Energy: 1.5106181712508437
Energy: 1.6009349675331943
Energy: 1.5124045905928822
Energy: 1.5087387056496206
Energy: 1.4896892193161377
Energy: 1.4997282653396955
Energy: 1.5084598921697743
Energy: 1.4486407484761705
Energy: 1.5245538067037634
Energy: 1.503449768815289
Energy: 1.574479631412658
Energy: 1.5068111218247238
Energy: 1.508058265048708
Energy: 1.4756150850047587
Energy: 1.5115056011104222
Energy: 1.4973755690537416
Energy: 1.5034399563481708
Energy: 1.3955013967105423
Energy: 1.4890436020552484
Energy: 1.5029934696978189
Energy: 1.3928546622182874
Energy: 1.489422113547165
Energy: 1.5431136977632118
Energy: 1.4881717588310273
Energy: 1.4887309321699447
Energy: 1.5390429410747357
Energy: 1.3936518769858268
Energy: 1.4874237866703401
Energy: 1.4610372362651165
Energy: 1.4863766867165948
Energy: 1.5287407314312988
Energy: 1.3918898005869185
Energy: 1.485692635202675
Energy: 1.5108484369091322
Energy: 1.5391696442083838
Energy: 1.496024307125398
Energy: 1.4955185010884173
Energy: 1.480408532890259
Energy: 1.5449850714757931
Energy: 1.486833715285487
Energy: 1.5308055796959312
Energy: 1.4605524925785196
Energy: 1.5274494754922285
Energy: 1.5324405554370881
Energy: 1.4656438193397852
Energy: 1.507320784514798
Energy: 1.515194488669315
Energy: 1.5448288986262433
Energy: 1.5276111749899426
Energy: 1.517131304703295
Energy: 1.3899380713040266
Energy: 1.50722800879931
Energy: 1.3976813089998767
Energy: 1.4954182880220517
Energy: 1.4933774985484523
Energy: 1.3980089589006748
Energy: 1.5033698378395082
Energy: 1.4913329604585979
Energy: 1.4406649841427113
Energy: 1.513083096862388
Energy: 1.5074171807804901
Energy: 1.4397023705423124
Energy: 1.5442009350632815
Energy: 1.4982917108461205
Energy: 1.4974627857234415
Energy: 1.50785478533576
Energy: 1.5289627224477278
Energy: 1.4974304455522929
Energy: 1.5020470911410515
Energy: 1.4885442725492346
Energy: 1.5196741054170642
Energy: 1.4900670421469848
Energy: 1.4832200341260036
Energy: 1.5200452768620363
Energy: 1.3842388452265502
Energy: 1.4908917551010206
Energy: 1.4952993186660952
Energy: 1.505054235879626
Energy: 1.51060261923737
Energy: 1.4590011163278194
Energy: 1.5033075612204827
Energy: 1.511687195152005
Energy: 1.449707037629942
Energy: 1.5208372461321769
Energy: 1.5285162694043004
Energy: 1.4142605546444436
Energy: 1.5198856028262484
Energy: 1.5176334219775247
Energy: 1.5117737759212058
Energy: 1.5047016959275186
Energy: 1.498512753129386
Energy: 1.5117338376545952
Energy: 1.4189697791041151
Energy: 1.4970901988905898
Energy: 1.5275320242569437
Energy: 1.5047461867444285
Energy: 1.511208446421422
Energy: 1.5281335913218426
Energy: 1.417648013548256
Energy: 1.5126313329955623
Energy: 1.514100895101838
Energy: 1.557409478451608
Energy: 1.5584032613503838
Energy: 1.3823502850926424
Energy: 1.5287355171651877
Energy: 1.479911544143076

minimum gb energy = 1.3823502850926424 eV
minimum distance =  2.28214195331184 Angstroms
sigma value = 101


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

Energy: 1.9907717424230833
Energy: 1.5200042353241434
Energy: 1.4937073659338582
Energy: 1.868206606802352
Energy: 1.5161692178676627
Energy: 1.8704833056330807
Energy: 1.533301525281154
Energy: 1.4892303159872116
Energy: 1.4733705651219418
Energy: 1.5932375160781478
Energy: 1.4928576247770926
Energy: 1.4729871714452683
Energy: 1.5201637589327606
Energy: 1.3513386649297108
Energy: 1.3478951457961186
Energy: 1.5205278399389301
Energy: 1.3500698220042524
Energy: 1.347276602737255
Energy: 1.4916305895960877
Energy: 1.4749466472869848
Energy: 1.4706045332777313
Energy: 1.492707064728717
Energy: 1.4709827671412936
Energy: 1.4696666086869283
Energy: 1.3677762280096177
Energy: 1.5017006201267697
Energy: 1.46815409332526
Energy: 1.3709481590997814
Energy: 1.5220715480392033
Energy: 1.3674471257374619
Energy: 1.472343211292406
Energy: 1.4706221826246608
Energy: 1.4722162495534177
Energy: 1.4740759241263015
Energy: 1.5166644770453268
Energy: 1.4712783982203508
Energy: 1.459997951345978
Energy: 1.4018711496681293
Energy: 1.4031701895348736
Energy: 1.4600399330370055
Energy: 1.398511164571961
Energy: 1.4124654879882799
Energy: 1.523732784712693
Energy: 1.4717289410133256
Energy: 1.4743154785049368
Energy: 1.4942293288065065
Energy: 1.466949858385835
Energy: 1.4730502371043448
Energy: 1.3498107052007795
Energy: 1.4534067140203368
Energy: 1.3489571590323812
Energy: 1.3499247877207528
Energy: 1.518893726120201
Energy: 1.349103040422258
Energy: 1.3463762207017167
Energy: 1.4740700153545778
Energy: 1.4707103478616443
Energy: 1.3470782928104148
Energy: 1.5167981239226898
Energy: 1.4705428734518566
Energy: 1.499516507259245
Energy: 1.318680713272981
Energy: 1.3182790400573978
Energy: 1.4997194606847553
Energy: 1.3178716530690004
Energy: 1.318272364375176
Energy: 1.4994125749500284
Energy: 1.4700197901762286
Energy: 1.4719235241490038
Energy: 1.4991194988230612
Energy: 1.4765221650836267
Energy: 1.4699114254230994
Energy: 1.4007462093294543
Energy: 1.4795426545867354
Energy: 1.4320902581546937
Energy: 1.3454195991555602
Energy: 1.5201891005204222
Energy: 1.4076384130096964
Energy: 1.4003252957490693
Energy: 1.4787969499705853
Energy: 1.4768570030137569
Energy: 1.452823359325518
Energy: 1.5054764548235569
Energy: 1.4718180960862188
Energy: 1.5183854038766385
Energy: 1.3479381182659864
Energy: 1.3475479507694013
Energy: 1.5203722067678207
Energy: 1.351827311804979
Energy: 1.3495215700179828
Energy: 1.5894612367586276
Energy: 1.453456213274621
Energy: 1.4718352757746873
Energy: 1.5348043094068153
Energy: 1.3496664623411556
Energy: 1.4704001892724194
Energy: 1.9968231591716472
Energy: 1.4273666592962264
Energy: 1.4721748846818192
Energy: 1.316514043073525
Energy: 1.4267882176122253
Energy: 1.3176362852447416
Energy: 1.5345663808640058
Energy: 1.5034150662708314
Energy: 1.4893030828112637
Energy: 1.5366027225619718
Energy: 1.5038777128574137
Energy: 1.4678951670077431
Energy: 1.5185053196715617
Energy: 1.402117242882771
Energy: 1.475148419694503
Energy: 1.5186876490169698
Energy: 1.3475192863676808
Energy: 1.4737103036592991
Energy: 1.5026304752341002
Energy: 1.4713926405400268
Energy: 1.473427485879482
Energy: 1.503980971721156
Energy: 1.3492332293145082
Energy: 1.4720727301775336
Energy: 1.372261221733734
Energy: 1.4984315650841349
Energy: 1.4061679133962413
Energy: 1.3698133158384278
Energy: 1.501627567517068
Energy: 1.3679271637060668
Energy: 1.4461125219357267
Energy: 1.4748173108305755
Energy: 1.472343250093701
Energy: 1.4482407200178613
Energy: 1.53568878515722
Energy: 1.472027339597803
Energy: 1.4157288883149606
Energy: 1.402484048246524
Energy: 1.447053535548259
Energy: 1.4158268328424737
Energy: 1.3985849854349595
Energy: 1.4023924137919566
Energy: 1.4528841966970871
Energy: 1.4673942547072572
Energy: 1.4709081166177675
Energy: 1.4522060693749952
Energy: 1.4124895396315362
Energy: 1.471087229485054
Energy: 1.3636278393133576
Energy: 1.475655436148666
Energy: 1.472704149774367
Energy: 1.3641971146886167
Energy: 1.4998186710830532
Energy: 1.4463822645045707
Energy: 1.349156539867662
Energy: 1.4772723295652799
Energy: 1.470548227730328
Energy: 1.3509929369394773
Energy: 1.5163561383899957
Energy: 1.4711645510958622
Energy: 1.5145881440140323
Energy: 1.3193664421784006
Energy: 1.473576037419234
Energy: 1.499342334484742
Energy: 1.3183512125657266
Energy: 1.4688252429262305
Energy: 1.5158889709315704
Energy: 1.4603962959693817
Energy: 1.4730512825795414
Energy: 1.517260839911364
Energy: 1.3188024215342322
Energy: 1.4776771309405978
Energy: 1.4001410027770016
Energy: 1.4924049180206964
Energy: 1.4761458744275093
Energy: 1.3434736734424242
Energy: 1.518817027357736
Energy: 1.4757330193169564
Energy: 1.4014523250605306
Energy: 1.486929282661053
Energy: 1.406365840270718
Energy: 1.3435769193080667
Energy: 1.4993874138315155
Energy: 1.4493275321331176
Energy: 1.5161840654495713
Energy: 1.349716024443915
Energy: 1.4535212500670307
Energy: 1.5174211599015803
Energy: 1.3476655552807346
Energy: 1.4550793918740506
Energy: 1.5182995511585458
Energy: 1.4017055709083002
Energy: 1.4498233192878367
Energy: 1.5191026714620297
Energy: 1.3991525653962742
Energy: 1.4066042658153342
Energy: 1.426413294128754
Energy: 1.3496224248214128
Energy: 1.410040472071939
Energy: 1.315935080271906
Energy: 1.4278044467351785
Energy: 1.4101411078354156

minimum gb energy = 1.315935080271906 eV
minimum distance =  2.2854362979273 Angstroms
sigma value = 33


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

Energy: 0.020466031025733727
Energy: 0.02165750292101628
Energy: 0.02123833500946758
Energy: 0.02311492180019448
Energy: 1.1171108055045809
Energy: 0.02108553993668031
Energy: 0.02163983164259837
Energy: 0.17753377039812876
Energy: 0.17488460895656627
Energy: 0.1752748579600898
Energy: 0.17507087621461623
Energy: 0.17455626813661743
Energy: 1.7013641145762328
Energy: 1.1179909421377758
Energy: 1.1154812711815134
Energy: 1.112279347166918
Energy: 1.1162952852016688
Energy: 1.1155174240518149
Energy: 0.7594247619780468
Energy: 0.1775337703990636
Energy: 0.17488460895656627
Energy: 0.1752748579600898
Energy: 0.17507087621461623
Energy: 0.1745562681370848

minimum gb energy = 0.020466031025733727 eV
minimum distance =  2.45865492298262 Angstroms
sigma value = 1