Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834254
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4558483881278797e-19, 2.90855941783092e-19, 3.2776528490055e-19, 3.5962136291437197e-19, 4.79688479866332e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.85311829073892e-19, 6.82496804727954e-19, 6.78172529992788e-19, 6.7204901089764e-19, 6.63780177289566e-19, 6.52939850183922e-19, 6.39015333057828e-19, 6.213721639642199e-19, 5.992284807057059e-19, 5.716085577121799e-19, 5.37293138565168e-19, 4.94750542402566e-19, 4.4202451155426e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.013185072277000767
Energy: 0.013562665014418985
Energy: 0.2262933427620771
Energy: 0.2260988230457451
Energy: 0.2261335352508043
Energy: 0.013246445150905286
Energy: 0.013562665014418985
Energy: 1.2515711074496845
Energy: 0.22623793393038275
Energy: 0.22617636201076333
Energy: 0.22619706887410346
Energy: 0.22618234409635365
Energy: 0.22629334276257687
Energy: 0.22623793392988295
Energy: 1.2509804631707795
Energy: 0.013470104850466062
Energy: 0.22621617667776586
Energy: 0.22646876019804402
Energy: 0.2260988230457451
Energy: 0.22617636201076333
Energy: 0.013470104849994067
Energy: 0.013333093550148672
Energy: 0.22664023122309293
Energy: 0.22622091019239488
Energy: 0.2261335352508043
Energy: 0.22619706887410346
Energy: 0.22621617667776586
Energy: 0.22664023122309293
Energy: 1.2723293518885228
Energy: 0.22613627660421196
Energy: 0.013246445150905286
Energy: 0.22618234409682564
Energy: 0.22646876019804402
Energy: 0.22622091019239488
Energy: 0.22613627660421196
Energy: 0.013349326034636606

minimum gb energy = 0.013185072277000767 eV
minimum distance =  2.47893351572971 Angstroms
sigma value = 1


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

Energy: 1.974052050184287
Energy: 1.2513495205011507
Energy: 1.2659482301879108
Energy: 1.3018727692712935
Energy: 1.2676164209601346
Energy: 1.2530052145818744
Energy: 1.34188733047746
Energy: 1.288626540483965
Energy: 1.2878767310288362
Energy: 1.3289144065229241
Energy: 1.2732781787607161
Energy: 1.2765487217411249
Energy: 1.323534650026793
Energy: 1.2710675848903086
Energy: 1.2899840160819556
Energy: 1.3246549054303551
Energy: 1.26930586879593
Energy: 1.2452434761656557
Energy: 1.2824501230520144
Energy: 1.244949187069036
Energy: 1.270021901560756
Energy: 1.3708939158672184
Energy: 1.246173251099022
Energy: 1.254223500395208
Energy: 1.3198656596684029
Energy: 1.2969321123167648
Energy: 1.2772318621741514
Energy: 1.308092231821707
Energy: 1.2855050766709886
Energy: 1.2731519800180424
Energy: 1.3718202248554658
Energy: 1.2642052128725212
Energy: 1.4197850037881492
Energy: 1.3127685691844129
Energy: 1.2666618377165655
Energy: 1.2650952232263555
Energy: 1.3197569992328477
Energy: 1.2639368145622434
Energy: 1.2653959786681974
Energy: 1.347121524833288
Energy: 1.2648607520440456
Energy: 1.2640145744115023
Energy: 1.3282777711494378
Energy: 1.5061480210872145
Energy: 1.2813547708636488
Energy: 1.3234007111601398
Energy: 1.2650684196549813
Energy: 1.324145116989786
Energy: 1.2423418034302625
Energy: 1.2654705994876934
Energy: 1.2692444888778467
Energy: 1.2809836678472177
Energy: 1.2652010822790556
Energy: 1.3450188508811942
Energy: 1.2895291274322531
Energy: 1.2635646523539343
Energy: 1.2649233317781607
Energy: 1.3237827937252917
Energy: 1.2645849433674141
Energy: 1.2677777043195728
Energy: 1.3371062261780375
Energy: 1.3066999682757725
Energy: 1.2778073503687064
Energy: 1.2976162568825909
Energy: 1.4999103711925372
Energy: 1.2916253607413295
Energy: 1.3139300654686823
Energy: 1.2942314807874553
Energy: 1.2470910729545248
Energy: 1.4502592260068734
Energy: 1.2821628007810186
Energy: 1.3270785637357236
Energy: 1.2874101413166112
Energy: 1.2632417834475993
Energy: 1.246996162108693
Energy: 1.363600528523762
Energy: 1.2750872413426062
Energy: 1.2892207811132508
Energy: 1.3356945254882857
Energy: 1.2666130049448006
Energy: 1.3006926540122898
Energy: 1.265876280070113
Energy: 1.2930792144430534
Energy: 1.3172204510003358
Energy: 1.3621985164812918
Energy: 1.2472779726069212
Energy: 1.2523829562053186
Energy: 1.3127348113217494
Energy: 1.2447514181276447
Energy: 1.2675676502219704
Energy: 1.3130946239984185
Energy: 1.3005937584351746
Energy: 1.2584551282395287
Energy: 1.278697617796815
Energy: 1.3031315059414454
Energy: 1.2956942941109495
Energy: 1.329799795869919
Energy: 1.439375249957501
Energy: 1.3005949636333596
Energy: 1.3108392861664848
Energy: 1.2673354740641671
Energy: 1.2767402577991116
Energy: 1.302868059349162
Energy: 1.2664719990438438
Energy: 1.2659753083316825
Energy: 1.263189677726753
Energy: 1.2660806219022926
Energy: 1.2677372601003318
Energy: 1.2828797854860052
Energy: 1.2681373663827222
Energy: 1.3410171884612303
Energy: 1.3256203743879253
Energy: 1.2651816918060137
Energy: 1.2651412657547942
Energy: 1.32277748790494
Energy: 1.2681907514989514
Energy: 1.3328621173293558
Energy: 1.3085414539940996
Energy: 1.2632280402573168
Energy: 1.2628264846311619
Energy: 1.3030470762201625
Energy: 1.2667772025031623
Energy: 1.2880313599052133
Energy: 1.2706749916949478
Energy: 1.2631291209354167
Energy: 1.2750749902299874
Energy: 1.3197892947027527
Energy: 1.2691221046535823
Energy: 1.2638089930355416
Energy: 1.2428740633478335
Energy: 1.2641826549473982
Energy: 1.2864913879877096
Energy: 1.3396948852588446
Energy: 1.2946670523053354
Energy: 1.2713704073374703
Energy: 1.3097070889570255
Energy: 1.294782322076756
Energy: 1.3305116452281878

minimum gb energy = 1.2423418034302625 eV
minimum distance =  2.22693989900145 Angstroms
sigma value = 33


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

Energy: 2.671446923338945
Energy: 1.3290880681727495
Energy: 1.324181612536062
Energy: 1.3312953716958373
Energy: 1.3250369416702246
Energy: 1.322410075574513
Energy: 1.5549912332915512
Energy: 1.3677927847652154
Energy: 1.3313449322873752
Energy: 1.3278621232158294
Energy: 1.3381207126516115
Energy: 1.3812556150479423
Energy: 1.4733996952987407
Energy: 1.322837959660406
Energy: 1.3280638738743373
Energy: 1.3669471707494814
Energy: 1.3265338537677052
Energy: 1.329954393717172
Energy: 1.3956978485746598
Energy: 1.3309161207599924
Energy: 1.3211682217585987
Energy: 1.407565640050088
Energy: 1.3208481509355179
Energy: 1.3887891508430876
Energy: 1.4375779064340346
Energy: 1.3347331635732982
Energy: 1.4494195287121545
Energy: 1.4783500685935262
Energy: 1.4484049033009296
Energy: 1.3756571077533422
Energy: 1.3520849742212047
Energy: 1.3334687849123705
Energy: 1.5041871939826283
Energy: 1.3777559620927673
Energy: 1.3323714657816985
Energy: 1.332685346308559
Energy: 1.3543738259672269
Energy: 1.335279348347921
Energy: 1.3325261493409608
Energy: 1.4865008373645745
Energy: 1.3329261868852957
Energy: 1.3312528574715456
Energy: 1.4249611043493462
Energy: 1.4701720702032557
Energy: 1.3466612473386546
Energy: 1.3808029112841669
Energy: 1.3307739170924022
Energy: 1.3968821335418096
Energy: 1.3763313853433063
Energy: 1.3251959260279642
Energy: 1.3702942933486564
Energy: 1.4054390378125725
Energy: 1.3264389284679265
Energy: 1.3434546929732174
Energy: 1.5922448960174178
Energy: 1.3206311393243735
Energy: 1.3214430320464838
Energy: 1.445527036710144
Energy: 1.3212148183654322
Energy: 1.3173656755494274
Energy: 1.4548971188067625
Energy: 1.3701293174367906
Energy: 1.351586700024009
Energy: 1.5066322141870363
Energy: 1.3406460067315173
Energy: 1.364006767617592
Energy: 1.3439218601564842
Energy: 1.3044450328007786
Energy: 1.3139555433928984
Energy: 1.357383557862772
Energy: 1.3227731352915093
Energy: 1.3041122401183665
Energy: 1.300704573280306
Energy: 1.3043932758875922
Energy: 1.3715022614982186
Energy: 1.3409253570023065
Energy: 1.3269571569014555
Energy: 1.3037044709172982
Energy: 1.3867672434374778
Energy: 1.3994017601783484
Energy: 1.3390349828868853
Energy: 1.455378971426433
Energy: 1.426140096132418
Energy: 1.3941901640746983
Energy: 1.4794074562116002
Energy: 1.3241992787583603
Energy: 1.3247684776977044
Energy: 1.4574399008847094
Energy: 1.3265120579443392
Energy: 1.3261120818022638
Energy: 1.3593574580594716
Energy: 1.326617525847019
Energy: 1.3701004947770417
Energy: 1.4196095753634166
Energy: 1.3253439951950514
Energy: 1.658180225282477
Energy: 1.3872895466699053
Energy: 1.3652766931360902
Energy: 1.3243713837044007
Energy: 1.4606196636527118
Energy: 1.3235557529950455
Energy: 1.387032187356445
Energy: 1.4164908067909914
Energy: 1.3260259789857483
Energy: 1.3258183257358265
Energy: 1.5454879267553074
Energy: 1.326906793817428
Energy: 1.3298148136339725
Energy: 1.3300089286950696
Energy: 1.3270289709210759
Energy: 1.3282285168661787
Energy: 1.4566304148480125
Energy: 1.3275906998663982
Energy: 1.324459593581673
Energy: 1.3451843959896408
Energy: 1.352465702333035
Energy: 1.355066936826595
Energy: 1.4702503453699944
Energy: 1.3797230982747968
Energy: 1.4046683234858706
Energy: 1.328497545136814
Energy: 1.3422543662517141
Energy: 1.3170224267467812
Energy: 1.3806154066746295
Energy: 1.3001236558227194
Energy: 1.3170296473740315
Energy: 1.3807279625366207
Energy: 1.3378910874017573
Energy: 1.6378698011603103
Energy: 1.35297602204305
Energy: 1.3314592707871264
Energy: 1.3269502777373205
Energy: 1.4126557150971046
Energy: 1.4106434995677315
Energy: 1.3253088664833377
Energy: 1.473833114852029
Energy: 1.3394998701746288
Energy: 1.4494478661356338
Energy: 2.4725876211561593
Energy: 1.3252843263954521
Energy: 1.3321848783873276
Energy: 1.418846488131219
Energy: 1.3279353653961847
Energy: 1.3300539931139317
Energy: 1.4608714905433313
Energy: 1.4042191149981775
Energy: 1.327615856608735
Energy: 1.4197421265529944
Energy: 1.3376951104026547
Energy: 1.4574397843150453
Energy: 1.3968078850177992
Energy: 1.3339138079168888
Energy: 1.3329055069107056
Energy: 1.360499031275625
Energy: 1.3325275600698732
Energy: 1.3787521375568146
Energy: 1.8308810107159543
Energy: 1.3323332161646937
Energy: 1.3311103710830954
Energy: 1.3348103629426677
Energy: 1.3311222774658862
Energy: 1.3323533227151876
Energy: 1.3554531930817895
Energy: 1.3328605576752408
Energy: 1.4032191356202803
Energy: 1.337127053195496
Energy: 1.3343053124008346
Energy: 1.3346578229930617
Energy: 1.4110112712124645
Energy: 1.328207235435868
Energy: 1.485905984261252
Energy: 1.4140118235870276
Energy: 1.3287922986254856
Energy: 1.3613108889159065
Energy: 1.4146055214636295
Energy: 1.3295558862810515
Energy: 1.3179733867479346
Energy: 1.3347022124673535
Energy: 1.3233939311156053
Energy: 1.328052254141701
Energy: 1.4848751393152786
Energy: 1.3435616667606376
Energy: 1.391094432704408
Energy: 1.4381569729344525
Energy: 1.460464376652212
Energy: 1.3368639470478223
Energy: 1.4994977204853257
Energy: 1.3122751163902449
Energy: 1.317800984751523
Energy: 1.3558115590298292
Energy: 1.3323737482344942
Energy: 1.3479893718320746
Energy: 1.5310183162124067
Energy: 1.3015066630479295
Energy: 1.304303494884285
Energy: 1.3109543654910767
Energy: 1.3044130799018685
Energy: 1.3230135434460775
Energy: 1.4543715356124358
Energy: 1.3338293321242534
Energy: 1.3864862138771368
Energy: 1.3853965993393262
Energy: 1.417348828004868
Energy: 1.3571452319961246
Energy: 1.4291197254518253
Energy: 1.3253700906480028
Energy: 1.3256577158302036
Energy: 1.3391251757539044
Energy: 1.325227034993882
Energy: 1.4097770985144806
Energy: 1.417844324750319
Energy: 1.3268942241621555
Energy: 1.326343246133725
Energy: 1.3698099042005427
Energy: 1.3259880465531166
Energy: 1.372829627827108
Energy: 1.4803888576621078
Energy: 1.5073954263556066
Energy: 1.395579469411237
Energy: 1.3708637975689453
Energy: 1.4761221262640492
Energy: 1.46553210464478
Energy: 1.418057092680295
Energy: 1.3272618725714762
Energy: 1.3259898219920014
Energy: 1.3047745434073217
Energy: 1.3279035159877142
Energy: 1.3651721359998932
Energy: 1.473573759172352
Energy: 1.3247599373177013
Energy: 1.3296677689303178
Energy: 1.3169662873797339
Energy: 1.3247740185317616
Energy: 1.322529742684599
Energy: 1.4543251592004414
Energy: 1.326443453560854
Energy: 1.3653414379281479
Energy: 1.3732496203696296
Energy: 1.4606918861722231
Energy: 1.341202955266905
Energy: 1.3604854356777512
Energy: 1.321554405701828
Energy: 1.3265416975436246
Energy: 1.3212269643535588
Energy: 1.3017782093728805
Energy: 1.3213209850426786

minimum gb energy = 1.3001236558227194 eV
minimum distance =  2.24005206326397 Angstroms
sigma value = 51


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

Energy: 2.449543338729766
Energy: 1.3363970866973758
Energy: 1.348111752347603
Energy: 1.4412019626153576
Energy: 1.3487013483603174
Energy: 1.3351200355036283
Energy: 1.383537420548971
Energy: 1.3569105006682463
Energy: 1.3487678930799472
Energy: 1.3518803968744428
Energy: 1.3761840198639328
Energy: 1.3554194545242222
Energy: 1.5162161556557812
Energy: 1.3437888667681157
Energy: 1.3719091533071779
Energy: 1.6610833956951434
Energy: 1.3276242751651255
Energy: 1.3319443060922354
Energy: 1.4550828717108713
Energy: 1.3275551670818084
Energy: 1.331155211485457
Energy: 1.4479276280901792
Energy: 1.3310723068944317
Energy: 1.327809121165801
Energy: 1.5673107682383505
Energy: 1.3684908526390318
Energy: 1.3711769939530427
Energy: 1.5386473164535752
Energy: 1.3522327895363517
Energy: 1.3750391087593505
Energy: 1.609546212712952
Energy: 1.3474193824785616
Energy: 1.5577921031037185
Energy: 1.4668155494264992
Energy: 1.3421089606432537
Energy: 1.349156883850908
Energy: 1.4473275510813661
Energy: 1.3558278157250705
Energy: 1.3487271468742468
Energy: 1.5784445991558027
Energy: 1.3485508727938695
Energy: 1.3546466275988616
Energy: 1.552846937064782
Energy: 1.354702810471789
Energy: 1.387356733541372
Energy: 1.5013843243143916
Energy: 1.3453207172795458
Energy: 1.3578416171668528
Energy: 1.3561814901792064
Energy: 1.5677585129333034
Energy: 1.352563142592619
Energy: 1.4529541165824522
Energy: 1.3691127816449977
Energy: 1.5741957480062776
Energy: 1.3312958144993603
Energy: 1.3431521401986641
Energy: 1.3526910765723503
Energy: 1.4844481641656169
Energy: 1.328182830031455
Energy: 1.3328792532926894
Energy: 1.5462540168104446
Energy: 1.3420067486363958
Energy: 1.3660185098389122
Energy: 1.5330306806369103
Energy: 1.363490193805973
Energy: 1.3711059761778874
Energy: 1.5288138338500696
Energy: 1.3313845364604646
Energy: 1.3329628562439197
Energy: 1.4564306539364766
Energy: 1.3325356378852986
Energy: 1.3275325512962202
Energy: 1.4272244947257098
Energy: 1.3328431510586323
Energy: 1.332940482293262
Energy: 1.4236930620884876
Energy: 1.332507419299556
Energy: 1.3272117821393628
Energy: 1.5358259608646248
Energy: 1.3769263564043424
Energy: 1.3449092853428015
Energy: 1.51566552617698
Energy: 1.3444833414912911
Energy: 1.375977801922431
Energy: 1.4644945335561257
Energy: 1.344949810230732
Energy: 1.348849241340617
Energy: 1.5741360031416451
Energy: 1.347481405917091
Energy: 1.3420603243286402
Energy: 1.5500956260589933
Energy: 1.346959199414035
Energy: 1.3477963596623126
Energy: 1.5662418271466763
Energy: 1.3419854771037831
Energy: 1.560226414229632
Energy: 1.5339611753335909
Energy: 1.3556822023407138
Energy: 1.3726082030661655
Energy: 1.5218224087837184
Energy: 1.3583107658928542
Energy: 1.3718082925561024
Energy: 1.3252632072106398
Energy: 1.3462472278216429
Energy: 1.354805966894023
Energy: 1.470602200162937
Energy: 1.366718010719573
Energy: 1.342083335570344

minimum gb energy = 1.3252632072106398 eV
minimum distance =  2.24381236792221 Angstroms
sigma value = 19


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

Energy: 2.240574717419814
Energy: 1.4330262968217509
Energy: 1.4424471999488915
Energy: 1.4299554447179388
Energy: 1.4206672870640031
Energy: 1.4327843330917804
Energy: 1.320386346645912
Energy: 1.4250104625471982
Energy: 1.4235582141544834
Energy: 1.3785518881837981
Energy: 1.4461817160380617
Energy: 1.4282212188388548
Energy: 1.4904067981749276
Energy: 1.4068109605483525
Energy: 1.545971129080092
Energy: 1.3781930230280799
Energy: 1.409786013552361
Energy: 1.406190832078613
Energy: 1.6047602041764433
Energy: 1.4098651807114562
Energy: 1.4086381235501197
Energy: 1.5106361016073722
Energy: 1.409492291174869
Energy: 1.41718524740218
Energy: 1.5426792912642957
Energy: 1.4267374095130478
Energy: 1.4388019574665483
Energy: 1.3640476298139843
Energy: 1.6588510480836391
Energy: 1.4876411198336796
Energy: 1.5922270405465786
Energy: 1.413943536653396
Energy: 1.5507310641640508
Energy: 1.3419994686188108
Energy: 1.5066341055655779
Energy: 1.4840658961791404
Energy: 1.6035912916869166
Energy: 1.4237314036358295
Energy: 1.408176341851842
Energy: 1.4084779823427365
Energy: 1.4293500628668712
Energy: 1.423639777691247
Energy: 1.4935727790716449
Energy: 1.414916151170153
Energy: 1.432241753492108
Energy: 1.3443022816027435
Energy: 1.4110620452255482
Energy: 1.4233992351267817
Energy: 1.359316083486807
Energy: 1.4325172160728368
Energy: 1.3807240959777884
Energy: 1.3795417947957256
Energy: 1.4048852732444845
Energy: 1.4226163546374313
Energy: 1.3763348264159188
Energy: 1.3663611333665482
Energy: 1.3918366813514476
Energy: 1.4387619259949276
Energy: 1.3846481981563723
Energy: 1.4110614439358091
Energy: 1.4418952004636747
Energy: 1.4185700023088263
Energy: 1.4307358802476664
Energy: 1.4480804678838475
Energy: 1.4360695182308703
Energy: 1.412177823335039
Energy: 1.5106982229629304
Energy: 1.408341352796707
Energy: 1.4095257690486138
Energy: 1.5139150135143915
Energy: 1.4078983887223482
Energy: 1.4349927992092881
Energy: 1.7212152675485795
Energy: 1.411442942159461
Energy: 1.4140934337767175
Energy: 1.5087496930143551
Energy: 1.4145539664272135
Energy: 1.4113071616600372
Energy: 1.4728200575202683
Energy: 1.5238298795878633
Energy: 1.4137707697579454
Energy: 1.4646152452652144
Energy: 1.5377211278437313
Energy: 1.4517330711890517
Energy: 1.4290314963172837
Energy: 1.3693315095668934
Energy: 1.5590085791514614
Energy: 1.3159064408292276
Energy: 1.4141139376074126
Energy: 1.3738534250612222
Energy: 1.425061396720767
Energy: 1.382723204519987
Energy: 1.390909839584582
Energy: 1.4514897355414944
Energy: 1.3649328731829449
Energy: 1.4275654356506848
Energy: 1.4154587028893215
Energy: 1.423825376888265
Energy: 1.4215545606246716
Energy: 1.4846921010525689
Energy: 1.4233130681184858
Energy: 1.4348481948483258
Energy: 1.62436933817025
Energy: 1.4067252759493662
Energy: 1.4056697401661928
Energy: 1.5499566029362777
Energy: 1.4136306676907824
Energy: 1.4078245041820676
Energy: 1.5879734947495807
Energy: 1.4080939984787162
Energy: 1.407742861742744
Energy: 1.548382790745974
Energy: 1.4085158956856165
Energy: 1.543301939604043
Energy: 1.3567268354184534
Energy: 1.4169887034495456
Energy: 1.4665184950742027
Energy: 1.5008248791617038
Energy: 1.5929844131776372
Energy: 1.4488396331021618
Energy: 1.4469708758553899
Energy: 1.4214561999293969
Energy: 1.4100766063775099
Energy: 1.6123975165735458
Energy: 1.4156496693473526
Energy: 1.4265216431408834
Energy: 1.4258016118495835
Energy: 1.4073375972744528
Energy: 1.4180412897578472
Energy: 1.571605863903899
Energy: 1.417306767734236
Energy: 1.404445761298266
Energy: 1.3793401803265601
Energy: 1.4409209239001444
Energy: 1.4126542545201626
Energy: 1.4564522524291716
Energy: 1.4152920133215832
Energy: 1.4027403253491975
Energy: 1.3806968506528245
Energy: 1.378001346748692
Energy: 1.4149718903888693
Energy: 1.3823426391925613
Energy: 1.365448184966185
Energy: 1.3650572319403116
Energy: 1.4029130927832718
Energy: 1.430434059227174
Energy: 1.4276757001016025
Energy: 1.4371484865807147
Energy: 1.4194409958184517
Energy: 1.389269804480114
Energy: 1.4725748869597075
Energy: 1.532112681745575
Energy: 1.4157736552710827
Energy: 1.4668427293329016
Energy: 1.5470511490139356
Energy: 1.4381086645182288
Energy: 1.9762161905530873
Energy: 1.40700016916901
Energy: 1.4116648199484059
Energy: 1.5078129546412367
Energy: 1.4137650817411191
Energy: 1.4072755391476415
Energy: 1.3906851060610863
Energy: 1.4087683550021515
Energy: 1.4080050001477546
Energy: 1.6991523035604357
Energy: 1.407515331342966
Energy: 1.419513782358259
Energy: 1.416447281312918
Energy: 1.414807129437224
Energy: 1.422299147171119
Energy: 1.4534393528634315
Energy: 1.537604457788351
Energy: 1.444183671568015
Energy: 1.448621258775909
Energy: 1.4164438420676064
Energy: 1.3878745479887564
Energy: 1.4292149805610048
Energy: 1.366769620173537
Energy: 1.3878596071232314

minimum gb energy = 1.3159064408292276 eV
minimum distance =  2.20332482164633 Angstroms
sigma value = 27


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

Energy: 1.811467408315121
Energy: 1.3457213132524772
Energy: 1.3603822125366412
Energy: 1.28497304008947
Energy: 1.3759499527620265
Energy: 1.3471930757799762
Energy: 1.2693654691123717
Energy: 1.3313200956500515
Energy: 1.4235874928874792
Energy: 1.266755778767902
Energy: 1.3667265115166165
Energy: 1.3507873434977855
Energy: 1.2394511513230178
Energy: 1.3236681312519867
Energy: 1.338870590558321
Energy: 1.240736217271193
Energy: 1.3242729718669042
Energy: 1.3243267127604668
Energy: 1.2685008638456228
Energy: 1.3467744981318965
Energy: 1.3232338574951095
Energy: 1.2743672960946875
Energy: 1.3232144738630667
Energy: 1.3853297906840558
Energy: 1.291111170703868
Energy: 1.3598710110011791
Energy: 1.3394127390053625
Energy: 1.2405607985259561
Energy: 1.3410078078527525
Energy: 1.3510232500491755
Energy: 1.3281259778574068
Energy: 1.351458169004868
Energy: 1.3320091306389752
Energy: 1.2571129243122823
Energy: 1.3316062127332304
Energy: 1.3701289668101426
Energy: 1.3106684920079978
Energy: 1.36247662402896
Energy: 1.3454149116238439
Energy: 1.781238737827588
Energy: 1.3747284513895608
Energy: 1.360255601547951
Energy: 1.2520539734763425
Energy: 1.3683482764527855
Energy: 1.5150860065875442
Energy: 1.2540346684404542
Energy: 1.331886200120378
Energy: 1.5138091820967925
Energy: 1.2602356613076644
Energy: 1.3257344654627292
Energy: 1.3236205880443117
Energy: 1.2394199356634639
Energy: 1.3238670520952733
Energy: 1.3312485173543631
Energy: 1.2977296406612324
Energy: 1.3232106253734497
Energy: 1.353322427622509
Energy: 1.2913780467653528
Energy: 1.3663794503412867
Energy: 1.323050298931558
Energy: 1.2391639654141757
Energy: 1.3391746366108457
Energy: 1.3725632691720566
Energy: 1.2876389019011247
Energy: 1.5182005137557633
Energy: 1.3244899398951575
Energy: 1.2693654685319058
Energy: 1.3314067103679457
Energy: 1.35420057761022
Energy: 1.3250200973598572
Energy: 1.3651552164217433
Energy: 1.3391935085605944

minimum gb energy = 1.2391639654141757 eV
minimum distance =  2.26238312295173 Angstroms
sigma value = 9


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

Energy: 2.787967134191746
Energy: 1.4624878096272884
Energy: 1.42574789108833
Energy: 1.4100376776251233
Energy: 1.4273837710841313
Energy: 1.460688602717859
Energy: 1.3911740219029334
Energy: 1.5268369278319607
Energy: 1.3624609809853747
Energy: 1.4021251347781707
Energy: 1.4422348370876759
Energy: 1.4871538940307278
Energy: 1.4283016291622077
Energy: 1.477412421153246
Energy: 1.5636020197037142
Energy: 1.4574621059127195
Energy: 1.466340690738583
Energy: 1.4064477688159627
Energy: 1.3538103139448059
Energy: 1.4642473506018352
Energy: 1.5017131271670903
Energy: 1.5302553158524728
Energy: 1.4643459980428744
Energy: 1.5264658727693587
Energy: 1.4620555473619086
Energy: 1.4907355328867835
Energy: 1.4649522592008593
Energy: 1.4223114195370132
Energy: 1.464884238762707
Energy: 1.5667597018991524
Energy: 1.386171857817143
Energy: 1.3982227501457591
Energy: 1.4731406870782042
Energy: 1.437543150219655
Energy: 1.6049880155550404
Energy: 1.333265979998161
Energy: 1.3928801830373687
Energy: 1.4614805690494213
Energy: 1.466059723891998
Energy: 1.5393637313723505
Energy: 1.4276559641474236
Energy: 1.4264797099067343
Energy: 1.33360062906251
Energy: 1.3348251644841953
Energy: 1.508407902023043
Energy: 1.4332815691156489
Energy: 1.584643138038008
Energy: 1.377602782685079
Energy: 1.376668124195999
Energy: 1.4760094305010703
Energy: 1.5077738006411199
Energy: 1.4699072534234945
Energy: 1.5045691340222234
Energy: 1.5317724119923142
Energy: 1.3703489470715893
Energy: 1.4653040863885356
Energy: 1.4867766531100581
Energy: 1.6420003733741078
Energy: 1.4486166765557444
Energy: 1.484658387328418
Energy: 1.3863360920798764
Energy: 1.4629244080512254
Energy: 1.506272351425382
Energy: 1.5020795616245026
Energy: 1.447676743974961
Energy: 1.4400741137102564
Energy: 1.3480647234085636
Energy: 1.5186623465049651
Energy: 1.4250023268581644
Energy: 1.4355171905047939
Energy: 1.4246829993478678
Energy: 1.492557992832026
Energy: 2.5136737179024093
Energy: 1.464562706046079
Energy: 1.4655846018785368
Energy: 1.406545451914211
Energy: 1.457220480924709
Energy: 1.526046402983478
Energy: 1.395111498839406
Energy: 1.5517456761708457
Energy: 1.4160990256652395
Energy: 1.3860047980023458
Energy: 1.4313944325455505
Energy: 1.5049999335312207
Energy: 1.3719019805877066
Energy: 1.557862834983342
Energy: 1.45128359275423
Energy: 1.381318041305932
Energy: 1.4912859824073823
Energy: 1.492522444554449
Energy: 1.7382473750752783
Energy: 1.4083686986483601
Energy: 1.4407732006422738
Energy: 1.3897679900457367
Energy: 1.4077182726909185
Energy: 1.4297106061902287
Energy: 1.3929583548079534
Energy: 1.4084928024914438
Energy: 1.4080721517295416
Energy: 1.402354505639301
Energy: 1.4087553592515192
Energy: 1.740446949456137
Energy: 1.355924187028566
Energy: 1.4485697412954386
Energy: 1.4347800331388656
Energy: 1.4264079857295882
Energy: 1.464794453665696
Energy: 1.5581637495215324
Energy: 1.3740540911056773
Energy: 1.4953379049068705
Energy: 1.4702819720811247
Energy: 1.668855412307377
Energy: 1.468668257614098
Energy: 1.5064329561648349
Energy: 1.4184058699404318
Energy: 1.4461397469746362
Energy: 1.5246648550791317
Energy: 1.4781875832668039
Energy: 1.4489896936614461
Energy: 1.491336635824018
Energy: 1.3587606478301946
Energy: 1.4332268526864735
Energy: 1.552500230066414
Energy: 1.408221706978279
Energy: 1.5117375903709138
Energy: 1.3977189564062744
Energy: 1.3643941063540823
Energy: 1.415264910358758
Energy: 1.382748049261025
Energy: 1.4221866839058666
Energy: 1.3558832349253866
Energy: 1.3947648115081335
Energy: 1.3948785309079972
Energy: 1.3343903802211141
Energy: 1.5022580497472353
Energy: 1.3693577836520605
Energy: 1.3348689392999127
Energy: 1.3584840374124842
Energy: 1.46139980432733
Energy: 1.5362112861435777
Energy: 1.4664850396197882
Energy: 1.4452501554344361
Energy: 1.4685514308578618
Energy: 1.404842323566484
Energy: 1.9774352435659288
Energy: 1.4685968584156002
Energy: 1.4897023592802845
Energy: 1.5194139029858167
Energy: 1.4692143813084277
Energy: 1.4689854289848363
Energy: 1.4841051190836854
Energy: 1.4742836446417948
Energy: 1.4643817691170147
Energy: 1.3374952142471412
Energy: 1.465208750069048
Energy: 1.4958378211193482
Energy: 1.4528441411972977
Energy: 1.4685755485618142
Energy: 1.4011333868822162
Energy: 1.4619345976342697
Energy: 1.5297490276694845
Energy: 1.5282366458542678
Energy: 1.5534189401426033
Energy: 1.334157229142235
Energy: 1.4280362783262406
Energy: 1.3864877752695302
Energy: 1.3593942115047957
Energy: 1.4199703896598321
Energy: 1.4064237729662168
Energy: 1.3333371048426292
Energy: 1.3342923645800535
Energy: 1.3418980713855546
Energy: 1.334872287487927
Energy: 1.5553224125488838
Energy: 1.4441199250202514
Energy: 1.5120531533028727
Energy: 1.4328679645869353
Energy: 1.3715629890729912
Energy: 1.5242504751336177
Energy: 1.5313957859823049
Energy: 1.549675559726068
Energy: 1.4547538428373348
Energy: 1.4515455521638263
Energy: 1.5910531783828847
Energy: 1.4487531699598701
Energy: 1.5728177130379835
Energy: 1.5674453638073969
Energy: 1.4491916580001327
Energy: 1.4828522512702966
Energy: 1.3808306257347343
Energy: 1.4671492025281365
Energy: 1.4997758985351415
Energy: 1.4328495962221253
Energy: 1.4426026045641882
Energy: 1.5394627677732557
Energy: 1.4081076210797117
Energy: 1.4608319967195835
Energy: 1.4335738258907758
Energy: 1.419271233544561
Energy: 1.4348652376354973
Energy: 1.411508418254799
Energy: 1.4013331549083994
Energy: 1.4080937783709608
Energy: 1.431971152449756
Energy: 1.4736108987236873
Energy: 1.412766146050732
Energy: 1.516149270920549
Energy: 1.4581003006649835
Energy: 1.4133349650282094
Energy: 1.411335315882992
Energy: 1.3694290306277535
Energy: 1.4896352041418
Energy: 1.522280651378167
Energy: 1.3781552084280182
Energy: 1.5488378652394046
Energy: 1.421325522567767
Energy: 1.4475492506360146
Energy: 1.410052378896226
Energy: 1.5439738320970888
Energy: 1.3219668264718134
Energy: 1.4077595936360712
Energy: 1.4338699710092724
Energy: 1.4201594754887539
Energy: 1.4579601660016634
Energy: 1.4305171307023359
Energy: 1.4358770913109355
Energy: 1.4423079409259905
Energy: 1.469122117494672
Energy: 1.4362806668255226
Energy: 1.4394374870019413
Energy: 1.4667719648202435
Energy: 1.3834230901065512
Energy: 1.5071948471177343
Energy: 1.5183879110511402
Energy: 1.5273687068699637
Energy: 1.4473925106081196
Energy: 1.5205530559998282
Energy: 1.3896429679227704
Energy: 1.452399638972745
Energy: 1.4573223005958513
Energy: 1.441379940062478
Energy: 1.4478546422532736
Energy: 1.445691432592357
Energy: 1.5428143295027434
Energy: 1.4479254386462157
Energy: 1.5018628587929428
Energy: 1.4268559799801557
Energy: 1.5116922999792022
Energy: 1.5209574935996881
Energy: 1.3596201525326603
Energy: 1.5436265107396594
Energy: 1.4292145960733849
Energy: 1.3834592953540525
Energy: 1.4305327857333132
Energy: 1.3350863973490337
Energy: 1.32592553233555
Energy: 1.333928804936885
Energy: 1.5859842992101068

minimum gb energy = 1.3219668264718134 eV
minimum distance =  2.24358457306714 Angstroms
sigma value = 57


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

Energy: 2.7569011265289447
Energy: 1.4154026202072905
Energy: 1.280748628784288
Energy: 1.2704474448647955
Energy: 1.3803353876646254
Energy: 1.4201492699986067
Energy: 1.1484338338899454
Energy: 1.4129718926323271
Energy: 1.298933789598201
Energy: 1.157443574043489
Energy: 1.3094579034389784
Energy: 1.3935411856281505
Energy: 1.1562463902505964
Energy: 1.4051977852608597
Energy: 1.4047985417971498
Energy: 1.2103195413527885
Energy: 1.4111557886514574
Energy: 1.4509683565914786
Energy: 1.2461738260647364
Energy: 1.4052154515917592
Energy: 1.4039901085043252
Energy: 1.2053850311799779
Energy: 1.4067359833390238
Energy: 1.4377959597206726
Energy: 1.227437413142452
Energy: 1.4095272013972007
Energy: 1.4052379708406597
Energy: 1.1641547862369979
Energy: 1.4065649871054695
Energy: 1.348966903607721
Energy: 1.149171076713504
Energy: 1.2976864547695146
Energy: 1.4306131437837817
Energy: 1.180263344733891
Energy: 1.3939451997067933
Energy: 1.298073887671255
Energy: 1.218571903444658
Energy: 1.3816598768315838
Energy: 1.392817803905854
Energy: 1.3789817727886287
Energy: 1.376835865324427
Energy: 1.3704256256553757
Energy: 1.2058647543055885
Energy: 1.2977428771983166
Energy: 1.416514959042622
Energy: 1.3030413765513391
Energy: 1.4302906876568025
Energy: 1.2989104546513748
Energy: 1.1996986642783887
Energy: 1.4765466795967275
Energy: 1.4094644838649804
Energy: 1.166729740144375
Energy: 1.4146996255096038
Energy: 1.25739649900671
Energy: 1.2390826972034845
Energy: 1.3459779285325717
Energy: 1.3926197275911774
Energy: 1.1504471154632263
Energy: 1.2984611714316687
Energy: 1.369964506360748
Energy: 1.1901629101785753
Energy: 1.3005588494278935
Energy: 1.3980332660805885
Energy: 1.1468386812142561
Energy: 1.2987667968850711
Energy: 1.3102768723888565
Energy: 1.2158917884256235
Energy: 1.4189400967641008
Energy: 1.3925173281789536
Energy: 1.1574367215735584
Energy: 1.4173117566162776
Energy: 1.5740782140628458
Energy: 1.1987952538351745
Energy: 1.4138934137509864
Energy: 1.3654196319088654
Energy: 1.3219159500044968
Energy: 1.4140568255276718
Energy: 1.4141759216907064
Energy: 1.432407842307741
Energy: 1.4112057867125374
Energy: 1.405406488548806
Energy: 1.226155600532379
Energy: 1.4158652646763479
Energy: 1.4171836778474942
Energy: 1.1546788184610637
Energy: 1.4162624596725626
Energy: 1.3156197669016267
Energy: 1.1562664126847007
Energy: 1.3139834937011765
Energy: 1.410848691928421
Energy: 1.5229455210706595
Energy: 1.3055478226910064
Energy: 1.304412327682043
Energy: 1.2027464117370237
Energy: 1.3143833649674423
Energy: 1.448171346427964
Energy: 1.4641672561197885
Energy: 1.2989305829649158
Energy: 1.3003162793414946
Energy: 1.3207623678552367
Energy: 1.3031591865654912
Energy: 1.4151174193248302
Energy: 1.200309142171872
Energy: 1.4173100397997505
Energy: 1.360182295032368
Energy: 1.218111268808126
Energy: 1.4168930502013084
Energy: 1.4092064289010278
Energy: 1.1505858585113216
Energy: 1.3990134710619968
Energy: 1.2982135183495724
Energy: 1.2061418973565963
Energy: 1.3059642894164212
Energy: 1.4156408314572928

minimum gb energy = 1.1468386812142561 eV
minimum distance =  2.22974482489049 Angstroms
sigma value = 11


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

Energy: 2.02739535451981
Energy: 1.363013364558697
Energy: 1.2195788178859122
Energy: 1.2238412220246069
Energy: 1.331003333139087
Energy: 1.3144292099856205
Energy: 1.470534685462701
Energy: 1.3489849557651052
Energy: 1.1950435335070815
Energy: 1.2650056513396506
Energy: 1.2169343267134969
Energy: 1.3636471577083107
Energy: 1.4267627555132958
Energy: 1.3332400840721792
Energy: 1.367437474028694
Energy: 1.381274753263212
Energy: 1.3338080466979292
Energy: 1.3648695501823094
Energy: 1.4032967086324113
Energy: 1.3325603359915343
Energy: 1.3532753045034527
Energy: 1.4182187519215022
Energy: 1.332924628648803
Energy: 1.4291034892356327
Energy: 1.417270878900037
Energy: 1.371072752385499
Energy: 1.3398540239687529
Energy: 1.297620300884691
Energy: 1.3344073086386143
Energy: 1.4273861011184774
Energy: 1.422524059817067
Energy: 1.3305086440027531
Energy: 1.3341482990750442
Energy: 1.2714006739407322
Energy: 1.3335650130403085
Energy: 1.451588451815553
Energy: 1.3291535207089542
Energy: 1.350046025199755
Energy: 1.3323428902545025
Energy: 1.3618606714452086
Energy: 1.3640612152077016
Energy: 1.3271201906943042
Energy: 1.2520715538804648
Energy: 1.3305670397385017
Energy: 1.3348186312241634
Energy: 1.3412246884261951
Energy: 1.3319626477966147
Energy: 1.3322346651139176
Energy: 1.2408997364416734
Energy: 1.2083291048903537
Energy: 1.344339407054758
Energy: 1.1973532895392047
Energy: 1.346905595835888
Energy: 1.2059373206281627
Energy: 1.1524414171064215
Energy: 1.2042894046266044
Energy: 1.2085479231550755
Energy: 1.5194257773777806
Energy: 1.28106112197315
Energy: 1.2373559506005902
Energy: 1.1207553694477463
Energy: 1.1997552242268783
Energy: 1.2980692792631126
Energy: 1.26284927246496
Energy: 1.211156709915487
Energy: 1.198459203294684
Energy: 1.1332427316425882
Energy: 1.2047989694194612
Energy: 1.3849080319422693
Energy: 1.2896847224278833
Energy: 1.3252204446849696
Energy: 1.193246335602007
Energy: 1.1207085133150754
Energy: 1.1947598000187731
Energy: 1.3309667711024833
Energy: 1.4334351566675962
Energy: 1.2045527482464804
Energy: 1.1762434432064552
Energy: 1.158826997962979
Energy: 1.3201571830752308
Energy: 1.2957634347805826
Energy: 1.4424233837125173
Energy: 1.250216691769957
Energy: 1.1224193534139217
Energy: 1.2827154941781636
Energy: 1.2014684933994302
Energy: 1.3667262475505155
Energy: 1.2722949216757855
Energy: 1.347061767547137
Energy: 1.1939146558874805
Energy: 1.3878739542007144
Energy: 1.334009444610028
Energy: 1.4283696944552984
Energy: 1.5968259062027705
Energy: 1.3315667796118111
Energy: 1.3743981565888443
Energy: 1.4036893883350363
Energy: 1.342109759178008
Energy: 1.3635168551586596
Energy: 1.4269690684720053
Energy: 1.3333088517885758
Energy: 1.3623272547808247
Energy: 1.415820451117552
Energy: 1.3320006736827867
Energy: 1.4549043212652242
Energy: 1.5626818724974747
Energy: 1.3720782446499828
Energy: 1.340196600761897
Energy: 1.2552353683939368
Energy: 1.3354463725095962
Energy: 1.333902612938411
Energy: 1.0833956344033124
Energy: 1.3311094989961425
Energy: 1.3683422681613135
Energy: 1.4688842381334148
Energy: 1.333159515609535
Energy: 1.28196813101281
Energy: 1.3997405932460576
Energy: 1.335459965080976
Energy: 1.3352153904519473
Energy: 1.4398392429626823
Energy: 1.3316838619630198
Energy: 1.3392550206393
Energy: 1.1533059416523135
Energy: 1.3333550779480476
Energy: 1.4577671407039268
Energy: 1.2435636082183916
Energy: 1.3490922981660773
Energy: 1.2115622497649132
Energy: 1.2307863338248273
Energy: 1.2119702282190676
Energy: 1.3659414019131235
Energy: 1.383782232179415
Energy: 1.2060112846900661
Energy: 1.2057047343297835
Energy: 1.09009084361686
Energy: 1.2063642273471653
Energy: 1.3367970161166216
Energy: 1.2662074955958942
Energy: 1.266263899099252
Energy: 1.1951796347783297
Energy: 1.1640527420992974
Energy: 1.1949618538076776
Energy: 1.4404639161190116
Energy: 1.4321294041077628
Energy: 1.4562806277072535
Energy: 1.2436899851277596
Energy: 1.1577404636111288
Energy: 1.3108647643579814
Energy: 1.3616175369743744
Energy: 1.1308999580334835
Energy: 1.2883457656850137
Energy: 1.2058916212685364
Energy: 1.1342029468644543
Energy: 1.1961761602337213
Energy: 1.469003433788875

minimum gb energy = 1.0833956344033124 eV
minimum distance =  2.23581051739681 Angstroms
sigma value = 41


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

Energy: 1.880468089059555
Energy: 1.2655591094331877
Energy: 1.1332545800788456
Energy: 1.081864498292179
Energy: 1.2118426900051933
Energy: 1.4504451765014996
Energy: 1.2310885271755205
Energy: 1.2596577134582594
Energy: 1.0946883516492152
Energy: 1.1442375363161574
Energy: 1.0949860980184565
Energy: 1.2607884266726777
Energy: 1.7492567759692226
Energy: 1.2738233573985533
Energy: 1.2390772947342845
Energy: 1.2109152437329362
Energy: 1.2215024573372095
Energy: 1.2701217941502088
Energy: 1.7502787203268546
Energy: 1.2214363518559148
Energy: 1.2383490568474607
Energy: 1.1374664155239609
Energy: 1.221753274193156
Energy: 1.295722383156081
Energy: 1.7823964577931022
Energy: 1.2280350150764279
Energy: 1.2235764921706507
Energy: 1.3002127761309996
Energy: 1.2212013195524662
Energy: 1.2799096005084738
Energy: 1.5274621838431766
Energy: 1.259095389067898
Energy: 1.2937793534296451
Energy: 1.267842311424609
Energy: 1.2856058112460278
Energy: 1.2538544939507081
Energy: 1.257128866329074
Energy: 1.258543806841481
Energy: 1.2536419046307767
Energy: 1.2772436648376015
Energy: 1.262058302284072
Energy: 1.2995829173099347
Energy: 1.3098741417573705
Energy: 1.2632013043628105
Energy: 1.2753959968890758
Energy: 1.311127082065285
Energy: 1.2638077721168541
Energy: 1.247615461565673
Energy: 1.3865852007496793
Energy: 1.2770441460507285
Energy: 1.2571774196341914
Energy: 1.292724387065868
Energy: 1.2632392476319811
Energy: 1.309058241542447
Energy: 1.1504433303512724
Energy: 1.2274882416871822
Energy: 1.220726099624491
Energy: 1.3000141114834483
Energy: 1.2223725201350533
Energy: 1.2574009274664373
Energy: 1.182556261281172
Energy: 1.2235212358782561
Energy: 1.2266089580871398
Energy: 1.312178697006684
Energy: 1.2191653854734996
Energy: 1.208752008389895
Energy: 1.1675568257289706
Energy: 1.223554345889928
Energy: 1.2929592540709745
Energy: 1.3525151974545147
Energy: 1.228735557280832
Energy: 1.1564626444595458
Energy: 1.1193209851560326
Energy: 1.0942420279628198
Energy: 1.2391564242257804
Energy: 1.2540249978210467
Energy: 1.100038213692464
Energy: 1.184419598320142
Energy: 1.0499977280547979
Energy: 1.098504779462467
Energy: 1.252754644587427
Energy: 1.2438671710336247
Energy: 1.1000134524485523
Energy: 1.0080484737056816
Energy: 1.0235503273653517
Energy: 1.0963984221460639
Energy: 1.276286528916291
Energy: 1.2503589476707244
Energy: 1.2013003901936967
Energy: 1.0956413625532075
Energy: 1.0190879186172879
Energy: 1.0962384410156167
Energy: 1.2195516361390701
Energy: 1.2621086812023738
Energy: 1.2036588056458966
Energy: 1.068255950782583
Energy: 1.0366318717223404
Energy: 1.0892574279899998
Energy: 1.1810255431045298
Energy: 1.2840690159092474
Energy: 1.1010338213719697
Energy: 1.0079111867463468
Energy: 1.147973780825324
Energy: 1.0958176446642418
Energy: 1.2181637359033053
Energy: 1.3246030471581185
Energy: 1.0989126701472332
Energy: 1.1490702427508055
Energy: 1.2282037710905367
Energy: 1.241670428779392
Energy: 1.2597926505870993
Energy: 1.2867041353807918
Energy: 1.233169308930874
Energy: 1.1786371834019134
Energy: 1.154057237640984
Energy: 1.2211176635062582
Energy: 1.2264967022198885
Energy: 1.2472356544617356
Energy: 1.2206290765540846
Energy: 1.2444685500307253
Energy: 1.1339068917066022
Energy: 1.2231908585241653
Energy: 1.2515526057297
Energy: 1.2952316183497319
Energy: 1.221553619628156
Energy: 1.2954754126519095
Energy: 1.5501721891740328
Energy: 1.2262944458911362
Energy: 1.257009468102175
Energy: 1.249308280220476
Energy: 1.2731094664463858
Energy: 1.2284914512804932
Energy: 1.470580361149829
Energy: 1.2547384313096166
Energy: 1.2662130076018703
Energy: 1.3922866184999976
Energy: 1.2691611760020771
Energy: 1.2532487902386233
Energy: 1.5168335238460453
Energy: 1.2699196121487137
Energy: 1.2566487770542893
Energy: 1.2869212592820232
Energy: 1.2681413850937209
Energy: 1.295952339234775
Energy: 1.7237628786081507
Energy: 1.2589015041408536
Energy: 1.304752916616351
Energy: 1.5159004590645846
Energy: 1.282497869815068
Energy: 1.2530352194199752
Energy: 1.4631128181295845
Energy: 1.2204094786945399
Energy: 1.2818597252688122
Energy: 1.3283697643240209
Energy: 1.220817651773121
Energy: 1.2416019062782475
Energy: 1.4613113843976846
Energy: 1.2206265682417246
Energy: 1.2155668716502248
Energy: 1.227222722713655
Energy: 1.2228676074079938
Energy: 1.2278980319995096
Energy: 1.750363670938657
Energy: 1.2278487186784286
Energy: 1.2152278633012843
Energy: 1.2328415764461844
Energy: 1.221921786974842
Energy: 1.2721082297067803
Energy: 1.5110842315123145
Energy: 1.2364277557222867
Energy: 1.093199355627049
Energy: 1.116914040292768
Energy: 1.1217024757531688
Energy: 1.259932416166015
Energy: 1.4930314960244475
Energy: 1.1805252779810764
Energy: 1.2047504421881639
Energy: 1.053990388645214
Energy: 1.2237384661487167
Energy: 1.2160181400185
Energy: 1.523818573916745
Energy: 1.2068228209105025
Energy: 1.0935857366605684
Energy: 1.044958534480423
Energy: 1.1261239571400368
Energy: 1.2627131170656454
Energy: 1.724896180367242
Energy: 1.263295321422284
Energy: 1.0826241592057209
Energy: 1.0260117624035714
Energy: 1.1977315079814843
Energy: 1.2620990665125353
Energy: 1.6882092786361884
Energy: 1.1386711502054259
Energy: 1.0873187725375673
Energy: 1.0289020901261394
Energy: 1.1020527910914966
Energy: 1.1742970736295584

minimum gb energy = 1.0079111867463468 eV
minimum distance =  2.20579169596035 Angstroms
sigma value = 33


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

Energy: 2.2784317666403693
Energy: 1.0434848748097807
Energy: 0.9519562412624245
Energy: 0.9508031664322094
Energy: 1.0885042540885588
Energy: 1.2815039776189445
Energy: 1.770567121316538
Energy: 1.10139700340209
Energy: 1.0119894647376124
Energy: 0.9884555758501281
Energy: 0.958680342773065
Energy: 1.094115791487474
Energy: 2.0389701312538695
Energy: 1.1003722203535151
Energy: 1.0596147483097087
Energy: 1.0777817938969163
Energy: 1.0611803799103643
Energy: 1.1065782543763694
Energy: 1.7975668611064537
Energy: 1.0672463193090045
Energy: 1.053447235084752
Energy: 1.0495737273754029
Energy: 1.051262087711254
Energy: 1.0989754000206622
Energy: 1.7768916306975608
Energy: 1.059995357944291
Energy: 1.04881130928944
Energy: 1.1620827740543753
Energy: 1.052095261559112
Energy: 1.0925627692794575
Energy: 1.7034258352004017
Energy: 1.1083775783939387
Energy: 1.1095497665899672
Energy: 1.1056286391924615
Energy: 1.1110439339888172
Energy: 1.1117725118000261
Energy: 1.9356860866362031
Energy: 1.1039945129801858
Energy: 1.1051197726910615
Energy: 1.1155079460016737
Energy: 1.1000883794219136
Energy: 1.1516676665299992
Energy: 1.4863920197548925
Energy: 1.1008354135988205
Energy: 1.13751428772118
Energy: 1.1359336396881654
Energy: 1.1504557878858208
Energy: 1.1062386972216034
Energy: 1.8993773754894356
Energy: 1.1408307194937446
Energy: 1.111289795788872
Energy: 1.0998708576062806
Energy: 1.1086348803557367
Energy: 1.1118089128617004
Energy: 1.5563273720462394
Energy: 1.112729316448415
Energy: 1.1109670968173402
Energy: 1.119753555557678
Energy: 1.1115447065174222
Energy: 1.1185299806453206
Energy: 1.5132723638250176
Energy: 1.1069362389720678
Energy: 1.1330769444703674
Energy: 1.1207344478557462
Energy: 1.1094638663094438
Energy: 1.1232129536579236
Energy: 1.4873624388402726
Energy: 1.1322350446415257
Energy: 1.1066383766242214
Energy: 1.1328136738280445
Energy: 1.106728263042565
Energy: 1.1325929274741071
Energy: 1.5435690389922894
Energy: 1.1019908968669525
Energy: 1.127193388170121
Energy: 1.1112732706722364
Energy: 1.1174777118462698
Energy: 1.0983020548917708
Energy: 1.348445722306221
Energy: 1.1053696017796235
Energy: 1.0991333998813868
Energy: 1.1228078248599365
Energy: 1.0981928924955944
Energy: 1.1179336091725849
Energy: 1.196757430000601
Energy: 1.1123418747916247
Energy: 1.1278461165704075
Energy: 1.1116897365467415
Energy: 1.1108273884683377
Energy: 1.1002749878038447
Energy: 1.20990092112484
Energy: 1.1044243568282803
Energy: 1.106728643951463
Energy: 1.1123305760612465
Energy: 1.1034295550643909
Energy: 1.1179586089107354
Energy: 1.0885077088486603
Energy: 1.0605623931139199
Energy: 1.1024311155480138
Energy: 1.103741469291846
Energy: 1.0521776179603248
Energy: 1.1249156091088939
Energy: 1.0459087305350616
Energy: 1.0630573141648703
Energy: 1.0586142115056545
Energy: 1.1159118114710118
Energy: 1.0569488989197897
Energy: 1.0354174324241308
Energy: 0.9980531820425832
Energy: 1.05127361111091
Energy: 1.1048128145171257
Energy: 1.1086937534980394
Energy: 1.0648006471664486
Energy: 0.9941820870901874
Energy: 0.9651342220158152
Energy: 0.9561644269077081
Energy: 1.071430851500216
Energy: 1.1237892078386504
Energy: 0.9509779960175405
Energy: 1.0310365682766436
Energy: 0.8865203475633731
Energy: 0.9425423038690355
Energy: 1.0650918177760973
Energy: 1.1366721967442452
Energy: 0.9429734759993453
Energy: 0.9214323815706856
Energy: 0.8890281930676281
Energy: 0.9506507898503076
Energy: 1.0980374309521321
Energy: 1.1097832268003744
Energy: 1.0421278016104867
Energy: 0.9462518134843922
Energy: 0.9151968264202943
Energy: 0.9502962758767567
Energy: 1.093241408901782
Energy: 1.1162370190638415
Energy: 1.1182750823852183
Energy: 0.951796034259999
Energy: 0.9111882331331337
Energy: 0.9926645133880321
Energy: 1.095575328757595
Energy: 1.0962784107663273
Energy: 0.9403314890371811
Energy: 0.968584904298396
Energy: 0.9920575445071184
Energy: 0.9517665722174865
Energy: 1.0941346385948756
Energy: 1.1125420994053061
Energy: 1.0246405995161654
Energy: 1.0097642885091023
Energy: 1.039050081181748
Energy: 1.0542110423226734
Energy: 1.098508253638528
Energy: 1.1425296895141
Energy: 1.0966638994357605
Energy: 1.0559260996037685
Energy: 1.035248073729924
Energy: 1.0481150999330733
Energy: 1.0594990383843697
Energy: 1.1239990862559694
Energy: 1.0760240989270944
Energy: 1.0597466142614402
Energy: 1.2433776721799288
Energy: 1.0494322178685596
Energy: 1.0963671933992039
Energy: 1.2491352843158785
Energy: 1.049991997743385
Energy: 1.1037164545394247
Energy: 1.2653237984209265
Energy: 1.118985993942711
Energy: 1.110042464145422
Energy: 1.1210539699544018
Energy: 1.1013593652110718
Energy: 1.1608618526409764
Energy: 1.2975119285975303
Energy: 1.1145095168926205
Energy: 1.1163937176113348
Energy: 1.1106046616356955
Energy: 1.1140613225717901
Energy: 1.1278376369333898
Energy: 1.267074721192851
Energy: 1.1049522836272814
Energy: 1.1038109994708802
Energy: 1.1243493887027278
Energy: 1.1528119334606581
Energy: 1.1104281875785271
Energy: 1.6058782597702728
Energy: 1.1069390215950208
Energy: 1.1367335466994166
Energy: 1.1161017579006745
Energy: 1.12610076880496
Energy: 1.0996949675970158
Energy: 1.6816772490473155
Energy: 1.124121105686329
Energy: 1.1106487676726937
Energy: 1.107636913361623
Energy: 1.1070532701311084
Energy: 1.1213390630593039
Energy: 1.6655050596478551
Energy: 1.1236821319834678
Energy: 1.1229721701550568
Energy: 1.1411346736353767
Energy: 1.1073830357390568
Energy: 1.1314774104911347
Energy: 1.55289791638649
Energy: 1.111552060202693
Energy: 1.1335065344903987
Energy: 1.1538909212861357
Energy: 1.1148433807653577
Energy: 1.1060583925728078
Energy: 1.915600735515623
Energy: 1.1167860841558983
Energy: 1.1042247665371965
Energy: 1.0981484669977044
Energy: 1.1036461970097318
Energy: 1.1227570609293287
Energy: 1.5358688687446347
Energy: 1.1004082308465577
Energy: 1.1056562408972423
Energy: 1.1440080906473578
Energy: 1.1247100058754962
Energy: 1.1198194415171216
Energy: 1.895535351731694
Energy: 1.1111339828998372
Energy: 1.1145645075166313
Energy: 1.200873866796611
Energy: 1.114572674775842
Energy: 1.125680769015233
Energy: 2.0119275673655803
Energy: 1.1029074527182638
Energy: 1.1179191077766815
Energy: 1.153968341035138
Energy: 1.115216016840778
Energy: 1.1021151370313151
Energy: 1.8457122256131435
Energy: 1.0632256339296509
Energy: 1.0977787572912825
Energy: 1.119370091855268
Energy: 1.0546165366784788
Energy: 1.1060152719937866
Energy: 1.9459018223479665
Energy: 1.064463836776954
Energy: 1.0635060337606956
Energy: 1.019989382249331
Energy: 1.0540254671995544
Energy: 1.0582431211553658
Energy: 2.0206432033100663
Energy: 1.104418288070421
Energy: 1.0527423485406997
Energy: 1.0297662115777664
Energy: 1.050464598517775
Energy: 1.1057351187333457
Energy: 1.8921613762293008
Energy: 1.0263200766097509
Energy: 0.9519238385390796
Energy: 0.9690946986626103
Energy: 0.9505342635267391
Energy: 1.0941141647329002
Energy: 1.8652189992169481
Energy: 0.9387339371602939
Energy: 0.8873327855526233
Energy: 0.8877867341810394
Energy: 0.9417274971919578
Energy: 1.1193596168320818
Energy: 2.051065614639141
Energy: 1.0959014178574376
Energy: 0.9494243960444174
Energy: 0.904840836936991
Energy: 0.9495196359333807
Energy: 1.0982176188230521
Energy: 2.057011321358887
Energy: 1.0642421181747819
Energy: 0.9571684843839738
Energy: 0.9010543193862842
Energy: 1.0617439678791551
Energy: 1.0958262626438424
Energy: 2.2250248725493087
Energy: 0.9445774469031891
Energy: 0.9629369071334973
Energy: 0.9016646667018411
Energy: 0.9426617176750814
Energy: 1.0942996485966123

minimum gb energy = 0.8865203475633731 eV
minimum distance =  2.25647061564398 Angstroms
sigma value = 67


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

Energy: 0.2550661711688742
Energy: 0.2557093960150611
Energy: 0.49487982230869376
Energy: 0.4952978190296552
Energy: 0.4938202875759206
Energy: 0.2553345276839201
Energy: 0.34888826661904465
Energy: 0.4025103756540962
Energy: 0.40992482978899375
Energy: 0.4107842559409162
Energy: 0.4089312893596991
Energy: 0.40269232404007105
Energy: 1.4316037289504548
Energy: 0.41443307568805565
Energy: 0.4147742459805927
Energy: 0.4149611174926674
Energy: 0.41349998172813934
Energy: 0.4145876479944199
Energy: 0.26623818846083547
Energy: 0.41430273201866014
Energy: 0.41464373674938104
Energy: 0.4116089482312561
Energy: 0.41346329628449147
Energy: 0.2663289938484864
Energy: 0.26630033621414373
Energy: 0.4141954845294324
Energy: 0.41416504208367394
Energy: 0.4150620558385685
Energy: 0.4133504471077706
Energy: 0.26633461098698674
Energy: 1.4319713114162416
Energy: 0.4141964091328805
Energy: 0.4110963968979448
Energy: 1.4256480337784274
Energy: 0.4134158694918055
Energy: 0.41473393469260894
Energy: 0.2628483178899762
Energy: 0.4103434885008713
Energy: 0.410625039342848
Energy: 0.41379040926759825
Energy: 0.40946409264685296
Energy: 0.41043044445455273

minimum gb energy = 0.2550661711688742 eV
minimum distance =  2.43498550321709 Angstroms
sigma value = 3


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

Energy: 2.488424263742919
Energy: 1.1606977630830002
Energy: 1.1424081951483795
Energy: 0.9914489290874164
Energy: 1.0869726544532397
Energy: 1.1550297806871521
Energy: 2.3470915027937274
Energy: 1.0085888414338608
Energy: 0.8636860588391765
Energy: 0.8614381667462783
Energy: 0.9544729816098776
Energy: 1.1011115689035016
Energy: 1.9547952294912831
Energy: 1.0735134313988284
Energy: 0.8672057023481508
Energy: 0.8676683861086169
Energy: 0.8562244870775316
Energy: 1.0790494125892163
Energy: 1.7226005863368836
Energy: 0.9607293810853765
Energy: 0.9233328004327459
Energy: 0.8543893382398254
Energy: 0.9903676710104194
Energy: 1.073759622482539
Energy: 1.9023787182198282
Energy: 0.9640733051212023
Energy: 0.9436846211858514
Energy: 0.9621663947162549
Energy: 0.94891225029244
Energy: 1.0769064203662289
Energy: 1.6794045978085976
Energy: 1.0640550500179324
Energy: 0.9607833373548145
Energy: 0.9671679546600855
Energy: 0.960382161164987
Energy: 1.167494943055742
Energy: 1.8368947886404545
Energy: 1.072066309111419
Energy: 0.9782015572127001
Energy: 0.9597083648485064
Energy: 1.064154868431913
Energy: 1.10925882059533
Energy: 2.0338002309774756
Energy: 1.1655869376754329
Energy: 1.0928028310172693
Energy: 0.9813729942829308
Energy: 1.069181883553922
Energy: 1.1361190668120527
Energy: 1.9887637135006635
Energy: 1.0853488343779516
Energy: 1.0766894970749643
Energy: 1.0405749626862972
Energy: 1.0752645642217145
Energy: 1.1001683296502354
Energy: 1.6657246865450044
Energy: 1.1445377559650023
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Energy: 1.081544699018281
Energy: 1.09569808116215
Energy: 1.1274229965320215
Energy: 1.604323394800389
Energy: 1.1445373741477973
Energy: 1.108313684241752
Energy: 1.2194132847670172
Energy: 1.1139848328165478
Energy: 1.1245782088477891
Energy: 1.5986339825126787
Energy: 1.1141096458098025
Energy: 1.1094147703576855
Energy: 1.1050677794415529
Energy: 1.1152541443010164
Energy: 1.1388614013738254
Energy: 1.823039254214443
Energy: 1.11956501684979
Energy: 1.1168477427669672
Energy: 1.1147814392805528
Energy: 1.1222261449507076
Energy: 1.1359447520898003
Energy: 1.8525505318825883
Energy: 1.1275729343019536
Energy: 1.1271536883540576
Energy: 1.1225920151444744
Energy: 1.1173660939011398
Energy: 1.1529085291609449
Energy: 1.7263226764887947
Energy: 1.13791285212769
Energy: 1.1622121148688855
Energy: 1.2372552714152405
Energy: 1.1425411299500516
Energy: 1.1298575130746769
Energy: 1.4957700907601208
Energy: 1.1792392643985676
Energy: 1.150038005391485
Energy: 1.147572654260187
Energy: 1.1313437276683296
Energy: 1.1264620399843548
Energy: 1.501063885385339
Energy: 1.1146787411702737
Energy: 1.1207451289573356
Energy: 1.1474774971532786
Energy: 1.1215713556131899
Energy: 1.1117255780661948
Energy: 1.372986118343598
Energy: 1.1101944687950889
Energy: 1.116191081135224
Energy: 1.1689719251801949
Energy: 1.1263549891202596
Energy: 1.1114559046676153
Energy: 1.508828205867603
Energy: 1.1119872020037573
Energy: 1.1206720346497232
Energy: 1.1324270882839196
Energy: 1.1059718961352722
Energy: 1.1071034622967817
Energy: 1.227052879898615
Energy: 1.107890194774996
Energy: 1.1264543953427038
Energy: 1.1251477175979383
Energy: 1.1384414273503296
Energy: 1.0628483322588524
Energy: 1.2433836525052815
Energy: 1.070796725788592
Energy: 1.1212180661407039
Energy: 1.1283417949489678
Energy: 1.1169254178575287
Energy: 1.0421613976027408
Energy: 1.2966240019410706
Energy: 1.0540942067776717
Energy: 1.0940681251539872
Energy: 1.160756790124403
Energy: 1.051530531511295
Energy: 1.049477632757758
Energy: 1.0245217543624872
Energy: 1.1834088133642153
Energy: 1.1821687788225728
Energy: 1.1716822498668742
Energy: 1.0389375462545145
Energy: 1.043367566316516
Energy: 1.02770688765957
Energy: 1.0200511742425766
Energy: 1.0908658292362716
Energy: 1.1600448755350037
Energy: 1.0633746901819991
Energy: 1.0028961267507095
Energy: 1.0551133344477204
Energy: 0.9898478393796283
Energy: 1.0763138283772553
Energy: 1.1376157424560611
Energy: 1.0441806559665876
Energy: 1.0021382863852888
Energy: 1.030825664953761
Energy: 1.0597460464289332
Energy: 1.0517065372724697
Energy: 1.1368321807286281
Energy: 1.120452714300723
Energy: 0.9930275431403451
Energy: 0.9148162582873587
Energy: 1.0517717962349158
Energy: 1.0495593653217774
Energy: 1.1275168103986024
Energy: 1.0370503918043354
Energy: 0.899309639482196
Energy: 0.9168115492396923
Energy: 0.8981538471354173
Energy: 1.0517784435811557
Energy: 1.1445787190285288
Energy: 1.050297408812239
Energy: 0.8975549717811175
Energy: 0.9126977633262409
Energy: 0.9427162527686279
Energy: 1.0757611946168997
Energy: 1.1462265323519347
Energy: 0.9502381256092182
Energy: 0.9123673962093397
Energy: 0.9087194601157543
Energy: 0.9290421216224651
Energy: 1.160292012463229
Energy: 1.1173444182042196
Energy: 0.9156673042455039
Energy: 1.152595117455294
Energy: 1.0201871878133362
Energy: 0.9360616619214165
Energy: 1.0884608998738787
Energy: 1.1161558613174658
Energy: 0.9218561965674992
Energy: 0.9343815244415414
Energy: 0.9753243991561733
Energy: 0.9464808064242124
Energy: 1.0831104497854025
Energy: 1.14609469554324
Energy: 1.0554185404367733
Energy: 0.9184486277962718
Energy: 0.9815558272130014
Energy: 1.0545522547695418
Energy: 1.0767832534702255
Energy: 1.1671387681422538
Energy: 1.0644980056992581
Energy: 0.9494213464589115
Energy: 1.2480097403827934
Energy: 1.065824206942941
Energy: 1.087761891804085
Energy: 1.151695449961414
Energy: 1.07117750700374
Energy: 1.0619516498860533
Energy: 1.2485519043759836
Energy: 1.0796116749027191
Energy: 1.0959950252718433
Energy: 1.1649881902771906
Energy: 1.0791334953099923
Energy: 1.0639168046855745
Energy: 1.2141119197496983
Energy: 1.085382877431942
Energy: 1.1243812374202642
Energy: 1.1512531430861737
Energy: 1.118366319019214
Energy: 1.0728303688230212
Energy: 1.239725317618811
Energy: 1.1140394520408947
Energy: 1.1567297224283721
Energy: 1.1321596712122022
Energy: 1.1289279069507507
Energy: 1.1412827095472708
Energy: 1.495340666222643
Energy: 1.1193641346266572
Energy: 1.145959836127529
Energy: 1.3984516098346793
Energy: 1.144565520636463
Energy: 1.1156187724643691
Energy: 1.5028222952956136
Energy: 1.1168891198704773
Energy: 1.1334215066290918
Energy: 1.121791794688144
Energy: 1.1155652076413978
Energy: 1.113041389613374
Energy: 1.5052131854485713
Energy: 1.1247031717073412
Energy: 1.1458404172675583
Energy: 1.1455309554514206
Energy: 1.1291305980835238
Energy: 1.1639704162303939
Energy: 1.4244005545170957
Energy: 1.1342113241170073
Energy: 1.133529454891192
Energy: 1.1407058598273132
Energy: 1.1311930264615229
Energy: 1.1311705269285768
Energy: 1.6073701885041176
Energy: 1.127846638693645
Energy: 1.1314606863612557
Energy: 1.1183440523386694
Energy: 1.1272718467189824
Energy: 1.1501874447606302
Energy: 1.822209769950226
Energy: 1.1259526912825697
Energy: 1.114619106631383
Energy: 1.1035133229093206
Energy: 1.118391369941411
Energy: 1.1348007309233017
Energy: 1.8190006311044509
Energy: 1.1285801378097824
Energy: 1.1156471386620566
Energy: 1.1041346399535725
Energy: 1.1156881023572802
Energy: 1.135567065474523
Energy: 2.129619144374327
Energy: 1.181458843980098
Energy: 1.1525263890940385
Energy: 1.2230571593672936
Energy: 1.156543145126932
Energy: 1.1829071101906197
Energy: 1.6543074708227532
Energy: 1.1375469893088084
Energy: 1.0795279680358822
Energy: 1.0858596821885709
Energy: 1.1079013190975902
Energy: 1.1256622234703788
Energy: 1.8421378930692818
Energy: 1.0826081830227563
Energy: 1.0785910321644727
Energy: 1.0695963908959405
Energy: 1.0885197770683328
Energy: 1.1326909482983456
Energy: 1.7293234535808264
Energy: 1.0898190852218956
Energy: 1.0763043720223198
Energy: 1.0834661515270496
Energy: 1.0790603048556202
Energy: 1.1383383016335313
Energy: 1.7449813464521196
Energy: 1.087936288677878
Energy: 1.0039868967831551
Energy: 0.9696874333703229
Energy: 1.0807616066163843
Energy: 1.169578627199328
Energy: 1.8726315608227144
Energy: 1.080209256210695
Energy: 0.9523507863632736
Energy: 0.9630626644438585
Energy: 0.9560143594753303
Energy: 1.0892229819781238
Energy: 2.0140039802573164
Energy: 1.0059953449848533
Energy: 0.9504024215395248
Energy: 0.9539892068439714
Energy: 0.9527893001717667
Energy: 1.1008701487101458

minimum gb energy = 0.8543893382398254 eV
minimum distance =  2.25185413992658 Angstroms
sigma value = 81


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

Energy: 2.539424694235941
Energy: 1.1950377398586858
Energy: 1.2212851108004974
Energy: 1.0972039214807023
Energy: 1.2351634604716837
Energy: 1.2935469532556614
Energy: 1.6373600009875688
Energy: 1.1972519417421843
Energy: 0.9419181635075335
Energy: 0.9427512243967344
Energy: 1.0915208720843121
Energy: 1.2376302872764509
Energy: 1.2670372659159945
Energy: 1.2074922751178563
Energy: 0.9498213557209448
Energy: 0.9490199188348375
Energy: 0.9512723118160659
Energy: 1.2475805777210898
Energy: 1.7402317654871333
Energy: 1.0840553296423185
Energy: 0.9411491302760635
Energy: 0.9435783183084464
Energy: 1.0719081969407518
Energy: 1.2288524537321013
Energy: 1.7386682563150988
Energy: 1.071372441183918
Energy: 1.0665481809944581
Energy: 1.1164251723391752
Energy: 1.0677108776401092
Energy: 1.2391002746227806
Energy: 1.9744583143290675
Energy: 1.2210764287806621
Energy: 1.0909392021549238
Energy: 1.0843677371103577
Energy: 1.1488441615511944
Energy: 1.2797753100291638
Energy: 1.2667895822799728
Energy: 1.2292243915504233
Energy: 1.0828753065527938
Energy: 1.0985837790251787
Energy: 1.2333408194850835
Energy: 1.2310810397878427
Energy: 1.7728404731423373
Energy: 1.3181106886849507
Energy: 1.2769394691258948
Energy: 1.1070560111639067
Energy: 1.2758097144031735
Energy: 1.2657930898558252
Energy: 1.2634565502315893
Energy: 1.2477342011877146
Energy: 1.2342464145535759
Energy: 1.1669923970718046
Energy: 1.2426630831742527
Energy: 1.2492925795292045
Energy: 1.6660524241661367
Energy: 1.3119969848819253
Energy: 1.2335424795747052
Energy: 1.254029224814354
Energy: 1.2370531702633358
Energy: 1.2670801172457593
Energy: 1.3027355029122343
Energy: 1.2720740995272135
Energy: 1.3051224817328855
Energy: 1.4455688828576039
Energy: 1.274643663039546
Energy: 1.267311980402225
Energy: 1.3027176636160072
Energy: 1.2818851011012065
Energy: 1.2647720108283615
Energy: 1.2556121123856978
Energy: 1.2668083177505487
Energy: 1.264210219669425
Energy: 1.4508089175401206
Energy: 1.3053607712529283
Energy: 1.261184748396027
Energy: 1.2667309867035312
Energy: 1.264237836640698
Energy: 1.234314421985752
Energy: 1.4557092630979218
Energy: 1.2288021065469097
Energy: 1.2765527820989102
Energy: 1.2880965479704511
Energy: 1.277557816579139
Energy: 1.2303561766163353
Energy: 1.565762944075532
Energy: 1.2376602054706378
Energy: 1.2545297705224794
Energy: 1.3058781880902934
Energy: 1.241182030692672
Energy: 1.2486766336151882
Energy: 1.1263764649356625
Energy: 1.2746934982490679
Energy: 1.31928101516772
Energy: 1.229017412865425
Energy: 1.2340855140956333
Energy: 1.1270924965202735
Energy: 1.0968863650819953
Energy: 1.0850663587894867
Energy: 1.2287854807285539
Energy: 1.2623281311691033
Energy: 1.2282346652041267
Energy: 1.075756707686623
Energy: 1.1208049843149577
Energy: 1.0766425686127363
Energy: 1.2542828223088924
Energy: 1.3230488999987144
Energy: 1.2041331259732533
Energy: 1.0844701446812348
Energy: 1.0988619036864635
Energy: 1.0712657722530456
Energy: 1.1915222549859672
Energy: 1.2637602191781983
Energy: 1.071272839906545
Energy: 1.0698904251626165
Energy: 0.9417393692640186
Energy: 0.9420610310041947
Energy: 1.2012218746824825
Energy: 1.2833032730664955
Energy: 1.0717270088151556
Energy: 0.9425519297072326
Energy: 0.9472659897993193
Energy: 0.9502534922913648
Energy: 1.2169128030141931
Energy: 1.2824632607865285
Energy: 1.2012175122246709
Energy: 0.9577160258080127
Energy: 0.9509169075462951
Energy: 0.9506289221429005
Energy: 1.21005483329173
Energy: 1.289429762662396
Energy: 1.087734278721276
Energy: 0.9492936060078659
Energy: 1.1041405347802526
Energy: 1.1197306294964322
Energy: 1.2537046819879452
Energy: 1.2386446156342168
Energy: 1.270471595509768
Energy: 1.0986227339877752
Energy: 1.1360229257705918
Energy: 1.0872794101964418
Energy: 1.2274642558122157
Energy: 1.3039297629105266
Energy: 1.088210954897097
Energy: 1.0799612224193473
Energy: 1.1069313341709694
Energy: 1.0672250572482522
Energy: 1.2504297268717173
Energy: 1.3336319564130192
Energy: 1.23320822308167
Energy: 1.068030799407604
Energy: 1.100980670372341
Energy: 1.1096105652604844
Energy: 1.231238929414308
Energy: 1.257116089596955
Energy: 1.2276609175246307
Energy: 1.0847964628956825
Energy: 1.2800614755683117
Energy: 1.236618616171195
Energy: 1.2360522079716532
Energy: 1.2666386423093663
Energy: 1.2269996163978112
Energy: 1.2315877701604674
Energy: 1.2992633521900134
Energy: 1.2310180862123068
Energy: 1.2994353214167604
Energy: 1.4650552635360732
Energy: 1.2453660566774238
Energy: 1.2323399673746602
Energy: 1.266008336418829
Energy: 1.2475255233070448
Energy: 1.2653282040539713
Energy: 1.2930694378771372
Energy: 1.2806187499664774
Energy: 1.2379609335941664
Energy: 1.496166012039432
Energy: 1.2820082168082712
Energy: 1.305596496774392
Energy: 1.2271409168406486
Energy: 1.286946413579387
Energy: 1.2859472998059163
Energy: 1.774565014361501
Energy: 1.273005115204049
Energy: 1.2603745529819632
Energy: 1.2759565966707724
Energy: 1.2678655284134177
Energy: 1.2652387333684074
Energy: 1.8126421760783606
Energy: 1.2632616216674601
Energy: 1.237104441693661
Energy: 1.4262601693935204
Energy: 1.2565303002576287
Energy: 1.2884686847390296
Energy: 1.6418015498037841
Energy: 1.2710459488018597
Energy: 1.2297266339310013
Energy: 1.2222905633210543
Energy: 1.271313725191912
Energy: 1.2702623653149983
Energy: 1.7369875745793195
Energy: 1.228728609893792
Energy: 1.224370070358394
Energy: 1.4229630670006415
Energy: 1.2308610129045965
Energy: 1.2628384122734673
Energy: 1.2551156453704209
Energy: 1.2285801388691098
Energy: 1.0877421082464922
Energy: 1.1046671957105083
Energy: 1.2315214069648082
Energy: 1.3242592300684701
Energy: 1.7121218020207813
Energy: 1.2371193366668127
Energy: 1.0764225156325817
Energy: 1.0881843087517553
Energy: 1.0825184455844954
Energy: 1.2502219018355638
Energy: 1.32058079113025
Energy: 1.2121999773616363
Energy: 1.0885802710514896
Energy: 1.0852769466952483
Energy: 1.0867143835873474
Energy: 1.2561755239514882
Energy: 1.6504761585093302
Energy: 1.0729501253401938
Energy: 1.0694565416327022
Energy: 0.9485292609020297
Energy: 1.071128184027197
Energy: 1.2980173618103636

minimum gb energy = 0.9411491302760635 eV
minimum distance =  2.28425022974718 Angstroms
sigma value = 43


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

Energy: 2.051488454702981
Energy: 1.3376179933029309
Energy: 1.403052245604293
Energy: 1.1982062688682058
Energy: 1.3447778372853214
Energy: 1.3932430174976889
Energy: 1.4006194257418576
Energy: 1.3098741731140169
Energy: 1.0049894181667083
Energy: 1.0011558962593672
Energy: 1.179789901206341
Energy: 1.3399545038352456
Energy: 1.4082708156042782
Energy: 1.3105155679573002
Energy: 1.0114873371029007
Energy: 1.0101038799771551
Energy: 1.0117131933926637
Energy: 1.3886938213453373
Energy: 1.474746024016191
Energy: 1.1777462170778903
Energy: 1.0021803517679562
Energy: 1.0050645640265476
Energy: 1.0018167911565699
Energy: 1.353518493882825
Energy: 1.4379561911481569
Energy: 1.1624204061326076
Energy: 1.1575991021925933
Energy: 1.206356875575184
Energy: 1.1582659997640352
Energy: 1.3452252859268394
Energy: 1.4068255465483692
Energy: 1.344855111514052
Energy: 1.2274942766969794
Energy: 1.1609357064898937
Energy: 1.2690732408156438
Energy: 1.3933529311612012
Energy: 1.4248282576895384
Energy: 1.3614879692887436
Energy: 1.1661889740348155
Energy: 1.2294549717779362
Energy: 1.34802571861357
Energy: 1.34008105421633
Energy: 1.4543229236348587
Energy: 1.3794472469291372
Energy: 1.4138033892353816
Energy: 1.2044862088455628
Energy: 1.3773272422065925
Energy: 1.3743299360310375
Energy: 1.41107310577112
Energy: 1.3590476080237457
Energy: 1.340142451755606
Energy: 1.2887277552589145
Energy: 1.3475847253500477
Energy: 1.4240900050050849
Energy: 1.4132563901417385
Energy: 1.3629597183034503
Energy: 1.3387619928342798
Energy: 1.4616082296926083
Energy: 1.3454722038789524
Energy: 1.3482584214190891
Energy: 1.7593254309942548
Energy: 1.3815715704655092
Energy: 1.359260136719734
Energy: 1.4209955263273248
Energy: 1.3882996725026697
Energy: 1.340246721568038
Energy: 1.4709380010708868
Energy: 1.3455231248334554
Energy: 1.3408583282623887
Energy: 1.435277775181317
Energy: 1.341102491410401
Energy: 1.3413008383150489
Energy: 1.2182124597335402
Energy: 1.236269175910569
Energy: 1.38608372056847
Energy: 1.3584972639014097
Energy: 1.3372865907913352
Energy: 1.1691053662015525
Energy: 1.2306114463452114
Energy: 1.1615083710196963
Energy: 1.3560635247303239
Energy: 1.3382815828057686
Energy: 1.3478907483585498
Energy: 1.1629261342907073
Energy: 1.2329807665415462
Energy: 1.1636308809927511
Energy: 1.3531100498597248
Energy: 1.3602438728697615
Energy: 1.1777741127802634
Energy: 1.1721139900146869
Energy: 1.0120170714574466
Energy: 1.169221842221111
Energy: 1.3077693643739352
Energy: 1.3299930588244797
Energy: 1.1623079467847828
Energy: 1.010730426382575
Energy: 1.000914059570341
Energy: 0.9991773136882817
Energy: 1.3287358461486372
Energy: 1.3129975724512235
Energy: 1.1635711124722061
Energy: 0.9995396930904648
Energy: 1.0104282043973565
Energy: 1.004656952906327
Energy: 1.3382913797941418
Energy: 1.3608119679037893
Energy: 1.1739656148294824
Energy: 1.0133634324500063
Energy: 1.0029068121658973
Energy: 1.0014472092658842
Energy: 1.1636412074067712
Energy: 1.3559707775224297
Energy: 1.1568941567847255
Energy: 1.0016524646954932
Energy: 1.0177431593751691
Energy: 1.1581475998994188
Energy: 1.16410785914386
Energy: 1.3512236869671268
Energy: 1.153883218736039
Energy: 1.1596367514477437
Energy: 1.2531966236343839
Energy: 1.229173437138256
Energy: 1.3430976115360682
Energy: 1.3981688126119136
Energy: 1.1766839592656317
Energy: 1.1845831579548152
Energy: 1.2094836654888992
Energy: 1.1636061882784614
Energy: 1.3404244241040182
Energy: 1.3883592295998848
Energy: 1.3439098827018523
Energy: 1.1698849134102294
Energy: 1.2159036286795075
Energy: 1.4060821120115603
Energy: 1.3443076556619507
Energy: 1.3240850045485377
Energy: 1.357039604363541
Energy: 1.2404070201377282
Energy: 1.460182450879048
Energy: 1.3414122175815295
Energy: 1.3422772510332082
Energy: 1.3843637095440668
Energy: 1.3417550907687001
Energy: 1.3525862730094278
Energy: 1.478901656861565
Energy: 1.3419762952063763
Energy: 1.3483466199579721
Energy: 1.38641049322897
Energy: 1.3761087902957165
Energy: 1.3463627529866977
Energy: 1.4087517512853043
Energy: 1.4169434615783942
Energy: 1.3482063378393905
Energy: 1.3402637850321977
Energy: 1.3782125037265605
Energy: 1.3523730340934763
Energy: 1.4225487478942305
Energy: 1.346334145347944
Energy: 1.3422957365997068
Energy: 1.3436572755532574
Energy: 1.3369571902963477
Energy: 1.346126129231923
Energy: 2.1657616939658393
Energy: 1.3511770428556986
Energy: 1.175358688906849
Energy: 1.1797165601466388
Energy: 1.3480539016819435
Energy: 1.3978724587380837
Energy: 1.4701032244453724
Energy: 1.3513585517819406
Energy: 1.163829713195163
Energy: 1.1906412547971796
Energy: 1.1642994832364735
Energy: 1.356461720065894
Energy: 1.4059421686285278
Energy: 1.327772679923238
Energy: 1.1831002085907785
Energy: 1.1630530796268703
Energy: 1.1806317333920928
Energy: 1.3994718046765457
Energy: 2.003499744967951
Energy: 1.1607054273187447
Energy: 1.1668135963142945
Energy: 1.0107779449889567
Energy: 1.1606877563581377
Energy: 1.3100977264512597

minimum gb energy = 0.9991773136882817 eV
minimum distance =  2.24171400612432 Angstroms
sigma value = 57


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

Energy: 1.8646411473336484
Energy: 1.5298969531891702
Energy: 1.3279466854500308
Energy: 1.3195394240579827
Energy: 1.5841269584445303
Energy: 1.4966901891804372
Energy: 1.0803834098237781
Energy: 1.300668075006007
Energy: 1.07801465004729
Energy: 1.0779724489157463
Energy: 1.0791478864599655
Energy: 1.4688464068857665
Energy: 1.3689855555092454
Energy: 1.2959455634801005
Energy: 1.094182539894121
Energy: 1.0934681975826073
Energy: 1.0918580990543167
Energy: 1.5646169897280988
Energy: 1.3992610010115607
Energy: 1.2760316667116338
Energy: 1.0809300544197886
Energy: 1.0837673009408804
Energy: 1.0807944222957997
Energy: 1.5360159561403628
Energy: 1.4095772721742437
Energy: 1.2741435450885672
Energy: 1.2832208912872518
Energy: 1.1083441334879556
Energy: 1.278982571941994
Energy: 1.496493298259709
Energy: 1.3721887762707758
Energy: 1.5106615241583903
Energy: 1.2945726746325816
Energy: 1.3976617324552565
Energy: 1.3840269990989396
Energy: 1.4966701827936142
Energy: 1.097750932442946
Energy: 1.5130209174255171
Energy: 1.2847536495072163
Energy: 1.0917067403735963
Energy: 1.475829817094493
Energy: 1.4717081738330062
Energy: 1.3753602650844465
Energy: 1.4787577059345067
Energy: 1.5155755424461785
Energy: 1.0944267575268989
Energy: 1.5179529280975386
Energy: 1.5332446686195942
Energy: 1.0948166542285473
Energy: 1.5124392944798424
Energy: 1.4621237954853132
Energy: 1.441470488150439
Energy: 1.4770314355886063
Energy: 1.3522208431237934
Energy: 1.0935454445310315
Energy: 1.2961128045207964
Energy: 1.469080555630663
Energy: 1.4379534113201549
Energy: 1.4703058151935788
Energy: 1.285020051743232
Energy: 1.4007341593634928
Energy: 1.2853785771435349
Energy: 1.5099570386695977
Energy: 1.2944487480214069
Energy: 1.5424905217155205
Energy: 1.2871694620650183
Energy: 1.10662195610875
Energy: 1.2805403082898024
Energy: 1.2867637320923342
Energy: 1.0755119608546388
Energy: 1.2869334724818058
Energy: 1.2840976322545856
Energy: 1.0863262349453726
Energy: 1.0822848354438794
Energy: 1.4542400876102264
Energy: 1.459609378207635
Energy: 1.278991496627163
Energy: 1.0796104946985305
Energy: 1.0932657866190982
Energy: 1.0791215500716957
Energy: 1.51101879594775
Energy: 1.6151280039987086
Energy: 1.3013615630054844
Energy: 1.0888294454086425
Energy: 1.0852213613952288
Energy: 1.089861407826173
Energy: 1.4778568786365618
Energy: 1.2706256146264892
Energy: 1.286931793879307
Energy: 1.0904222584792511
Energy: 1.3214215625419048
Energy: 1.0811561486476557
Energy: 1.5065901064679577
Energy: 1.3219679450165074
Energy: 1.2832571899035894
Energy: 1.0812503763062888
Energy: 1.3972070483634278
Energy: 1.2800833092199033
Energy: 1.3003361118577836
Energy: 1.2836501107344886
Energy: 1.3589927685820677
Energy: 1.279898941966129
Energy: 1.1072258919004025
Energy: 1.2806349056897728
Energy: 1.4940277755953917
Energy: 1.3610684296605398
Energy: 1.5346749721797701
Energy: 1.2812871002218849
Energy: 1.089510894718955
Energy: 1.3012015142614262
Energy: 1.4667714804661178
Energy: 1.2627936559399038
Energy: 1.515453064080368
Energy: 1.2903080625599808
Energy: 1.1006709283703524
Energy: 1.4971827868475414
Energy: 1.467700326032719
Energy: 1.5410178973163802
Energy: 1.4646966507885533
Energy: 1.492229287572908
Energy: 1.7416679722629338
Energy: 1.4733518251215794
Energy: 1.3577571402632698
Energy: 1.3933817254326628
Energy: 1.515347782155228
Energy: 1.4868904742870899
Energy: 1.0907227209923402
Energy: 1.4779790848892165
Energy: 1.2828779954990417
Energy: 1.2817698212083983
Energy: 1.2830775255829614
Energy: 1.493518773449467
Energy: 1.6856537486553627
Energy: 1.480814310824872
Energy: 1.319455961059229
Energy: 1.2824418034647551
Energy: 1.3183177376247575
Energy: 1.499776319863433
Energy: 1.0711676285811562
Energy: 1.279952307973626
Energy: 1.3112978655794376
Energy: 1.0925946506983297
Energy: 1.2887724936335014
Energy: 1.504603934262969

minimum gb energy = 1.0711676285811562 eV
minimum distance =  2.2948045170967 Angstroms
sigma value = 17


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

Energy: 2.7572746605557827
Energy: 1.7027061655436986
Energy: 1.4345511723043076
Energy: 1.395832949942365
Energy: 1.6876839163605921
Energy: 1.7666605519859655
Energy: 1.4595011082224096
Energy: 1.552238208388661
Energy: 1.2965279649101786
Energy: 1.2784450021895961
Energy: 1.296678970782578
Energy: 1.789749015817596
Energy: 1.6804308200288764
Energy: 1.4731209152683213
Energy: 1.2936782998020813
Energy: 1.2890524208771286
Energy: 1.2872258278138566
Energy: 1.5963382302365297
Energy: 1.463499314227147
Energy: 1.4147377229935876
Energy: 1.2931058132343694
Energy: 1.284343743554662
Energy: 1.3698205519853301
Energy: 1.3812166223326299
Energy: 1.4607015056509323
Energy: 1.4027684267162748
Energy: 1.4444034821053415
Energy: 1.1522214632149872
Energy: 1.451916130505732
Energy: 1.3875831072002311
Energy: 1.3936273360173794
Energy: 1.3739954605065652
Energy: 1.4647828154656097
Energy: 1.3435157318397015
Energy: 1.4855238964297977
Energy: 1.5439836905760795
Energy: 1.404956779827766
Energy: 1.5468318833945096
Energy: 1.5611107843209455
Energy: 1.1549731264278131
Energy: 1.4116978441797576
Energy: 1.5457015727231618
Energy: 1.9321318209587668
Energy: 1.5320338086487642
Energy: 1.63331993552078
Energy: 1.153019275390375
Energy: 1.6410746046913942
Energy: 1.5376909962529308
Energy: 1.35908159811331
Energy: 1.6344173061548368
Energy: 1.6280732927147714
Energy: 1.7112927126137785
Energy: 1.6285276723398858
Energy: 1.3560771096960995
Energy: 1.3862165137675386
Energy: 1.300804422648663
Energy: 1.6474190049662714
Energy: 1.5997166693793106
Energy: 1.6384330787904944
Energy: 1.317399746631743
Energy: 1.414769981226139
Energy: 1.3140566942182983
Energy: 1.6376502165972948
Energy: 1.1548475091941268
Energy: 1.3017879243208799
Energy: 1.2987521212022344
Energy: 1.4004841647080941
Energy: 1.311708645812583
Energy: 1.566832041159833
Energy: 1.7148193200758348
Energy: 1.3077114145170592
Energy: 1.303638828792227
Energy: 1.3949203327694892
Energy: 1.3834303887604007
Energy: 1.480579573853406
Energy: 1.6458416234034405
Energy: 1.5004005733531134
Energy: 1.30710876767095
Energy: 1.4352338974601253
Energy: 1.3411916140273565
Energy: 1.4309753523941096
Energy: 1.1583147592574197
Energy: 1.3282996512902474
Energy: 1.3634165325389154
Energy: 1.6715613965421947
Energy: 1.4575356940240907
Energy: 1.5409889253533426
Energy: 1.3057529051289034
Energy: 1.5363231386800191
Energy: 1.3431616508172495
Energy: 1.422332543743337
Energy: 1.7203187895257832
Energy: 1.5895803560725872
Energy: 1.560051660555635
Energy: 1.5626238324058275
Energy: 1.6092346520542031
Energy: 1.465238925385128
Energy: 1.5468735462948375
Energy: 1.551662786841278
Energy: 1.3352371614813583
Energy: 1.584925307905942
Energy: 1.665041555725592

minimum gb energy = 1.1522214632149872 eV
minimum distance =  2.24096722489114 Angstroms
sigma value = 17


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

Energy: 2.7047116756368035
Energy: 1.5434923658604862
Energy: 1.4785270627059273
Energy: 1.4394338005365486
Energy: 1.7865642256627636
Energy: 1.846637284675528
Energy: 1.4066323552941753
Energy: 1.423650276306262
Energy: 1.229853816324368
Energy: 1.2267397650231524
Energy: 1.231294620953023
Energy: 1.5881534873001275
Energy: 1.3909313863706274
Energy: 1.736862357665155
Energy: 1.2322092272104335
Energy: 1.2265910390408492
Energy: 1.2364823725929217
Energy: 1.7457576807474307
Energy: 1.9005896456134874
Energy: 1.6789725666505289
Energy: 1.2273849022296053
Energy: 1.2305503763676173
Energy: 1.7043981076943928
Energy: 1.700152913160041
Energy: 1.401530318981838
Energy: 1.6804100711603414
Energy: 1.7027859849146305
Energy: 1.35446919716457
Energy: 1.685427925328305
Energy: 1.5813765702172211
Energy: 1.2472056143851558
Energy: 1.3238385367320882
Energy: 1.6708021015725356
Energy: 1.179200011958413
Energy: 1.6897181954463807
Energy: 1.2286265914207526
Energy: 1.2385536094667233
Energy: 1.2472021348957474
Energy: 1.7102997999604788
Energy: 1.695205632563272
Energy: 1.7110606613254886
Energy: 1.2471634841688986
Energy: 1.2349923110314522
Energy: 1.2300117140909053
Energy: 1.3992872466790283
Energy: 1.2498067019456194
Energy: 1.3878553024458764
Energy: 1.2406456097887155
Energy: 1.2571911731225436
Energy: 1.2335422692492828
Energy: 1.645245407807752
Energy: 1.6379996094190399
Energy: 1.4356790148624927
Energy: 1.2447051602667338
Energy: 1.4761548501796629
Energy: 1.4375125597669398
Energy: 1.413844131526651
Energy: 1.449628574712238
Energy: 1.4545089226822425
Energy: 1.240445863434946
Energy: 1.4820216925284388
Energy: 1.391360185489147
Energy: 1.634071523234211
Energy: 1.440080407983849
Energy: 1.401148625666557
Energy: 1.3961744259742024
Energy: 1.4894304347148335
Energy: 1.4483285642036667
Energy: 1.6041114363495552
Energy: 1.1720573826787182
Energy: 1.5940708240642592
Energy: 1.2259507192261754
Energy: 1.3633763606028664
Energy: 1.631492630162023
Energy: 1.586540786474935
Energy: 1.175195800005877
Energy: 1.5892431120304535
Energy: 1.3449455898788347
Energy: 2.1283084272119543
Energy: 1.7199883746215625
Energy: 1.186342201297259
Energy: 1.1967100932458652
Energy: 1.532009402829159
Energy: 1.701304982428175
Energy: 1.6073266806562168
Energy: 1.598429327129217
Energy: 1.174803034160645
Energy: 1.1739711173910508
Energy: 1.1775293646156335
Energy: 1.739528415807842
Energy: 1.4171384642966323
Energy: 1.605345351562687
Energy: 1.177515324276117
Energy: 1.1713071133817987
Energy: 1.1776548791205133
Energy: 1.2111853117673606
Energy: 1.4840754642364102
Energy: 1.6008056177866694
Energy: 1.1741890036477252
Energy: 1.174766449890337
Energy: 1.1744969617122325
Energy: 1.5713064230715132
Energy: 1.4894913908228489
Energy: 1.6088513278913683
Energy: 1.3261494678975834
Energy: 1.4461871802311235
Energy: 1.608318064435425
Energy: 1.6871727768745155
Energy: 1.529298998935333
Energy: 1.5487046792582126
Energy: 1.6291670147842907
Energy: 1.4985349054412491
Energy: 1.63177198319904
Energy: 1.2304443413041453
Energy: 1.480028943147235
Energy: 1.419766594961635
Energy: 1.619245063842389
Energy: 1.4601461169588865
Energy: 1.6558870393630862
Energy: 1.4054523455446724
Energy: 1.4933400657032163
Energy: 1.3953433868954008
Energy: 1.583511853707957
Energy: 1.4367235242183445
Energy: 1.4297894000783324
Energy: 1.3968665582704054
Energy: 1.4915784711631581
Energy: 1.433328832723305
Energy: 1.4908387023979421
Energy: 1.578395191027716
Energy: 1.2424310834654204
Energy: 1.4021079520485318
Energy: 1.2305577772796898
Energy: 1.2297926870036764
Energy: 1.4111253585524848
Energy: 1.1788338770094424
Energy: 1.5044218018240192
Energy: 1.228383043148517
Energy: 1.2221919917123027
Energy: 1.2292391715697388
Energy: 1.7133996675169438
Energy: 1.256249566079636
Energy: 1.2331444703962358
Energy: 1.2342256146495734
Energy: 1.230878238043462
Energy: 1.2346235640715242
Energy: 1.695590064028086
Energy: 1.3027342704270435
Energy: 1.6737614978484698
Energy: 1.2291166016883546
Energy: 1.252639950671408
Energy: 1.7386095568315958
Energy: 1.6753394653985203
Energy: 1.3244697755196975
Energy: 1.6840218924658283
Energy: 1.605583297857144
Energy: 2.0959954241413663
Energy: 1.6842203607641177
Energy: 1.7360640985606526
Energy: 1.2445821564936554
Energy: 1.676937697842247
Energy: 1.6627733908908144
Energy: 1.2103637702957941
Energy: 1.698653014994611
Energy: 1.2465279906066467
Energy: 1.232177560185665
Energy: 1.2466171050296255
Energy: 1.683377103337452
Energy: 1.243458114763413
Energy: 1.246320835554726
Energy: 1.2297237025946903
Energy: 1.237993720688805
Energy: 1.234996842706098
Energy: 1.461655475465798
Energy: 1.7840982078425698
Energy: 1.4251718528336523
Energy: 1.2439037529935597
Energy: 1.229169163960229
Energy: 1.2362417158119536
Energy: 1.6482509632402655
Energy: 1.9057958747571584
Energy: 1.4117557732484245
Energy: 1.2318939147322059
Energy: 1.5123858916700879
Energy: 1.4512960968728896
Energy: 1.6411921741159445
Energy: 1.347514447333735
Energy: 1.3923522860655768
Energy: 1.4017303028858947
Energy: 1.2421923317990615
Energy: 1.4202764524988647
Energy: 1.1889090314303628
Energy: 1.4429300532811347
Energy: 1.589725710112816
Energy: 1.4078428000692846
Energy: 1.486737999701581
Energy: 1.4847021291217983
Energy: 1.3292848154911927
Energy: 1.8945723618176082
Energy: 1.6229627888445826
Energy: 1.4998434712930562
Energy: 1.4765422692475219
Energy: 1.6316408800694806
Energy: 1.6308051935795886
Energy: 1.4501243758420672
Energy: 1.6012158107254888
Energy: 1.7059889721876615
Energy: 1.1735191064531592
Energy: 1.4458903252210331
Energy: 1.3306312940579579
Energy: 1.1797980757013329
Energy: 1.1761121516636246
Energy: 1.6141642032941965
Energy: 1.198434931598212
Energy: 1.6259098971012338
Energy: 1.174126331517637
Energy: 1.1769297967127494
Energy: 1.1788369081727574
Energy: 1.8163731260561744
Energy: 1.4520011498365906
Energy: 1.1782122770390433
Energy: 1.1792797799693229
Energy: 1.1727729023332345
Energy: 1.1769172283323823
Energy: 1.6159268006163312
Energy: 1.4445742295208581
Energy: 1.6181136158885956
Energy: 1.175794500468321
Energy: 1.197637591797407
Energy: 1.4959906914690382
Energy: 1.683421837655054
Energy: 1.4884765940303348
Energy: 1.6362677971574269
Energy: 1.397894250088487
Energy: 1.6957468481995015
Energy: 1.5929633897192421
Energy: 1.6308334187112647
Energy: 1.5662735398219223
Energy: 1.5882044998564186
Energy: 1.5995382628638386
Energy: 1.4327963775169168
Energy: 1.5947113079930768
Energy: 1.4392608121667037
Energy: 1.2329244133355397
Energy: 1.595614652174727
Energy: 1.5972021633528193
Energy: 1.450368889454724
Energy: 1.625874438729207
Energy: 1.4011488028491321
Energy: 1.2272304211768
Energy: 1.4112662697794243
Energy: 1.3667203608630687
Energy: 1.569312520881539
Energy: 1.4219110864167328
Energy: 1.4174215199728375
Energy: 1.2323793464101347
Energy: 1.3894608482458681
Energy: 1.497041006463112

minimum gb energy = 1.1713071133817987 eV
minimum distance =  2.21797145596978 Angstroms
sigma value = 57


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

Energy: 2.1045736014613845
Energy: 1.9081054946965874
Energy: 1.4277652262558045
Energy: 1.422339554533556
Energy: 1.4190470920392824
Energy: 1.8900024252477057
Energy: 1.4636674453862457
Energy: 1.5018656624664821
Energy: 1.2277072985835016
Energy: 1.2231941149095318
Energy: 1.2281814328730651
Energy: 1.407528555602401
Energy: 1.2609482985873863
Energy: 1.665106258932483
Energy: 1.2283568533518856
Energy: 1.2273497396768247
Energy: 1.2286970749338137
Energy: 1.4183571202849536
Energy: 1.7070809242394744
Energy: 1.6646777712773129
Energy: 1.2226243670727583
Energy: 1.234902758813796
Energy: 1.4430313763248692
Energy: 1.7025236456508253
Energy: 1.8247802546364285
Energy: 1.6798056476130219
Energy: 1.6819683541354797
Energy: 1.7545892355037975
Energy: 1.6679623834641217
Energy: 1.7071286089372875
Energy: 1.2472596782271914
Energy: 1.3963180540959415
Energy: 1.661014154322074
Energy: 1.1474387845362797
Energy: 1.7183028011312165
Energy: 1.2486073706704197
Energy: 1.2285680162593018
Energy: 1.2368855801063279
Energy: 1.6928251962415677
Energy: 1.4865398705842796
Energy: 1.7291307554553381
Energy: 1.2398185267319157
Energy: 1.2452994851679144
Energy: 1.2351735804876007
Energy: 1.4817224628464276
Energy: 1.2247972806869833
Energy: 1.2376294723597916
Energy: 1.2372174761461576
Energy: 1.2766672002244999
Energy: 1.2347178357801567
Energy: 1.6863340866931213
Energy: 1.3736037737587286
Energy: 1.519418098337447
Energy: 1.230607378806939
Energy: 1.5951037753461295
Energy: 1.5450392702201186
Energy: 1.4949067060569965
Energy: 1.3022674390999731
Energy: 1.5086953586665268
Energy: 1.4792554911872908
Energy: 1.3385015982385686
Energy: 1.4953873251009937
Energy: 1.5804150977284486
Energy: 1.6282234430872795
Energy: 1.4945467498820884
Energy: 1.4871482948749326
Energy: 1.2554581015165975
Energy: 1.5522543384362206
Energy: 1.5157323451850337
Energy: 1.225658843056716
Energy: 1.4946391045138352
Energy: 1.508199759641395
Energy: 1.323135095007305
Energy: 1.4885275340298698
Energy: 1.48785677291141
Energy: 1.223628546630993
Energy: 1.492855030502798
Energy: 1.230438125884113
Energy: 2.082913720822981
Energy: 1.6694825311163377
Energy: 1.2659283302737296
Energy: 1.2671513786068307
Energy: 1.6509598736708633
Energy: 1.6958955796987227
Energy: 1.4686217424697918
Energy: 1.5016052890237608
Energy: 1.2240005292340645
Energy: 1.2251274551589078
Energy: 1.2271655170139864
Energy: 1.4877706782212723
Energy: 1.402584166791786
Energy: 1.5113865808988405
Energy: 1.2314075167115668
Energy: 1.223169752854281
Energy: 1.2312679543438685
Energy: 1.2327897385099342
Energy: 1.6570526849293676
Energy: 1.6661043554346397
Energy: 1.2254660237698152
Energy: 1.2326407300534177
Energy: 1.4442568488372307
Energy: 1.6971536992537037
Energy: 1.795214084510947
Energy: 1.6662787608270664
Energy: 1.6888682946815878
Energy: 1.2516953381723543
Energy: 1.6621691862918178
Energy: 1.7067913788335844
Energy: 1.2905813573588514
Energy: 1.3798569645544934
Energy: 1.646697886547454
Energy: 1.162530058255135
Energy: 1.7627426977440053
Energy: 1.2372508916678553
Energy: 1.2237960762878104
Energy: 1.2838100642662225
Energy: 1.675976295668851
Energy: 1.2313523855174895
Energy: 1.4570665552063293
Energy: 1.241989354776541
Energy: 1.2243289340159704
Energy: 1.2307734142789433
Energy: 1.4897957890872022
Energy: 1.231502481695963
Energy: 1.229115466184448
Energy: 1.2318170766108887
Energy: 1.2379613041659074
Energy: 1.2262188479936291
Energy: 1.6922858762312414
Energy: 1.4465053730891921
Energy: 1.6103438484147332
Energy: 1.2262417819622982
Energy: 1.2534733206001025
Energy: 1.2287997113765148
Energy: 1.522207082998635
Energy: 1.3048727998821157
Energy: 1.488409778951231
Energy: 1.4813025646575524
Energy: 1.3032436831339564
Energy: 1.4965958882649082
Energy: 1.6728255851837892
Energy: 1.6530157140123123
Energy: 1.493950393951962
Energy: 1.4910152258186788
Energy: 1.2770636756698424
Energy: 1.515368333106713
Energy: 1.4941514749948503
Energy: 1.4762454482276592
Energy: 1.4759997984115114
Energy: 1.2264115086501979
Energy: 1.264013789981688
Energy: 1.509370401709378
Energy: 1.4918598003464256
Energy: 1.2283993534940907
Energy: 1.4951210544490312
Energy: 1.552192476906183
Energy: 2.0791127268835803
Energy: 1.497342827362894
Energy: 1.2319187281742674
Energy: 1.2707101502103755
Energy: 1.239510695877231
Energy: 1.7417973084711507

minimum gb energy = 1.1474387845362797 eV
minimum distance =  2.28039948647659 Angstroms
sigma value = 43


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

Energy: 1.3906391924937838
Energy: 1.9245334203032982
Energy: 1.5335071660598616
Energy: 1.4995594786084774
Energy: 1.805825285968634
Energy: 1.798960024144926
Energy: 1.3379028556372383
Energy: 1.4983235730782947
Energy: 1.2693266607602383
Energy: 1.2683528059858113
Energy: 1.2705465131937879
Energy: 1.6742084238044235
Energy: 1.597014032774815
Energy: 1.6829794452423257
Energy: 1.2711459326493633
Energy: 1.2685216543758877
Energy: 1.2709261247226142
Energy: 1.75840081500004
Energy: 1.4715242404166107
Energy: 1.634015239464491
Energy: 1.2712123986281914
Energy: 1.2646864974971046
Energy: 1.6001958837255468
Energy: 1.6383410378978238
Energy: 1.581436251813963
Energy: 1.6224548007457282
Energy: 1.6558214572986392
Energy: 1.3777252207629858
Energy: 1.633114130596823
Energy: 1.452857247019812
Energy: 1.2052825282239779
Energy: 1.20154614064275
Energy: 1.742445806171854
Energy: 1.6540548699865876
Energy: 1.7073225634803977
Energy: 1.2058974381383845
Energy: 1.2003775701160084
Energy: 1.203443974081558
Energy: 1.6356648683470483
Energy: 1.2692790935212104
Energy: 1.1916409484982224
Energy: 1.2026679294635372
Energy: 1.1966782604215795
Energy: 1.2014007256527557
Energy: 1.636072867761172
Energy: 1.4059401856610376
Energy: 1.2016794196350709
Energy: 1.2013491366630127
Energy: 1.2076077947260635
Energy: 1.1970219019836734
Energy: 1.644949826557075
Energy: 1.3304770826147807
Energy: 1.6693383077196997
Energy: 1.2024335051412505
Energy: 1.829655397088445
Energy: 1.6429795163689203
Energy: 1.6517069498093961
Energy: 1.3719212782327401
Energy: 1.451341090040641
Energy: 1.6445417373793252
Energy: 1.8553529753932545
Energy: 1.6512653976836424
Energy: 1.2646886348712214
Energy: 1.2643334066307437
Energy: 1.5908902772161915
Energy: 1.2035249206220846
Energy: 1.5863838080985229
Energy: 1.623218199703
Energy: 1.2946170197485154
Energy: 1.276829271274089
Energy: 1.2701385199580737
Energy: 1.4488318549720605
Energy: 1.2069708113106814
Energy: 1.2624220388707075
Energy: 1.2676881589344005
Energy: 1.2787471019807415
Energy: 1.2725372061035263
Energy: 1.4679453048620157
Energy: 1.6134193228160656
Energy: 1.2719329308517076
Energy: 1.2672176976418101
Energy: 1.2675566304548547
Energy: 1.2740111778949006
Energy: 1.6449730860842937
Energy: 1.2684979101898952
Energy: 1.4716500137606394
Energy: 1.5041134700676368
Energy: 1.268089890422841
Energy: 1.4708000572539779
Energy: 1.4467978276918045
Energy: 1.6140392161302837
Energy: 1.5875997618616804
Energy: 1.4755245121819194
Energy: 1.2777103725463381
Energy: 1.470111184047219
Energy: 1.5145077076308238
Energy: 1.5830974250546803
Energy: 1.5032981200259339
Energy: 1.583779991945093
Energy: 1.5974655444857133
Energy: 1.5934525616316768
Energy: 1.2704550143203908
Energy: 1.5832749776865698
Energy: 1.4672008383825097
Energy: 1.473096035954805
Energy: 1.3320309653199467
Energy: 1.4754643691581886
Energy: 1.4987151413845068
Energy: 1.482717951451549
Energy: 1.758671455537937
Energy: 1.9507306456060485
Energy: 1.8059904462055505
Energy: 1.931280356773271
Energy: 1.5273713308691717
Energy: 1.2669750428230424
Energy: 1.272244792256931
Energy: 1.4721966960899069
Energy: 1.2041452523359732
Energy: 1.269874212499438
Energy: 1.2700871490996721
Energy: 1.2625877186189631
Energy: 1.2708583545740215
Energy: 1.777486536956921
Energy: 1.6246960202124254
Energy: 1.6596612002736648
Energy: 1.2684152410115248
Energy: 1.2646188801627933
Energy: 1.2612072236287892
Energy: 1.634704605774558
Energy: 1.3298884877354988
Energy: 1.633117168219239
Energy: 1.2660336392266045
Energy: 1.3286225584796094
Energy: 1.6374773677406476
Energy: 1.6327333406026356
Energy: 1.2720227018890085
Energy: 1.6339280562627678
Energy: 1.5800599459667755
Energy: 1.903948564376647
Energy: 1.7408111073113937
Energy: 1.2017347431256924
Energy: 1.2038132778907384
Energy: 1.4374630256238796
Energy: 1.65031449319976
Energy: 1.2660769115956598
Energy: 1.4342135283754818
Energy: 1.20285775246269
Energy: 1.201686108929164
Energy: 1.203661937743151
Energy: 1.522158175336833
Energy: 1.403056789128949
Energy: 1.640279284612043
Energy: 1.2018833809311564
Energy: 1.2018151308911063
Energy: 1.2016509840569956
Energy: 1.7804262144892309
Energy: 1.617692885281949
Energy: 1.6500428895677488
Energy: 1.1916437975621124
Energy: 1.2090292012664048
Energy: 1.3991275109918901
Energy: 1.632264534687653
Energy: 1.2677512713132106
Energy: 1.4530760014933557
Energy: 1.6433262783949527
Energy: 1.2631555534352241
Energy: 1.6383886012655429
Energy: 1.6267766911834838
Energy: 1.2639561500370748
Energy: 1.4130400335078135
Energy: 1.6483760610406684
Energy: 1.202677559289138
Energy: 1.6457053614113442
Energy: 1.2637181026795723
Energy: 1.2739934512033562
Energy: 1.2746441468240262
Energy: 1.6625224783911516
Energy: 1.262702466274227
Energy: 1.675666172996223
Energy: 1.2804940819459147
Energy: 1.2771221714722454
Energy: 1.267942231947158
Energy: 1.4962430748950624
Energy: 1.2068015584680338
Energy: 1.26078664826498
Energy: 1.2806947693183353
Energy: 1.2710764888521793
Energy: 1.2652877348617046
Energy: 1.7043336278470191
Energy: 1.3254285261258771
Energy: 1.564794986231756
Energy: 1.269694610506367
Energy: 1.5893692263763088
Energy: 1.5170553396164206
Energy: 1.5220234236258892
Energy: 1.4146790778975649
Energy: 1.493946401929174
Energy: 1.4962294736227617
Energy: 1.6269769285848183
Energy: 1.4678378837455703
Energy: 1.5139168937565
Energy: 1.2695326445938953
Energy: 1.5215926226025678
Energy: 1.2653942606925142
Energy: 1.6137938927680529
Energy: 1.5315848073456562
Energy: 1.4778539590282702
Energy: 1.2713165827164628
Energy: 1.4794121964299456
Energy: 1.515644239777246
Energy: 1.3253423311175738
Energy: 1.4959583106351506
Energy: 1.4666534434931147
Energy: 1.2678265568746283
Energy: 1.500094648992177
Energy: 1.4789871207839598

minimum gb energy = 1.1916409484982224 eV
minimum distance =  2.2256153455449 Angstroms
sigma value = 81


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

Energy: 1.2146889717515041
Energy: 1.2111472202816074
Energy: 1.5582433151913098
Energy: 1.5180175230377517
Energy: 1.54900008560619
Energy: 1.2115715099508169
Energy: 1.2106069412246117
Energy: 1.3311207597664312
Energy: 1.2182327979575984
Energy: 1.217960323119123
Energy: 1.215503629577726
Energy: 1.3488828530070722
Energy: 1.3413029755503494
Energy: 1.337634912385506
Energy: 1.2154963099056801
Energy: 1.22413412862327
Energy: 1.2160867144973222
Energy: 1.5490116735109223
Energy: 1.339173452166897
Energy: 1.3367359708431368
Energy: 1.2224384015687795
Energy: 1.2171421182671718
Energy: 1.3369104764153834
Energy: 1.3374260230440005
Energy: 1.3312353688702376
Energy: 1.3305576621853723
Energy: 1.2152875245763226
Energy: 1.2105429784885393
Energy: 1.3325923575081413
Energy: 1.3371607623513098
Energy: 1.2160007848417678
Energy: 1.4947660412895138
Energy: 1.2103611674017245
Energy: 1.2100720594180592
Energy: 1.3308296813248117
Energy: 1.225291607711147
Energy: 1.234764435264634
Energy: 1.2158771556812722
Energy: 1.344181900934685
Energy: 1.215160219088048
Energy: 1.487537055490961
Energy: 1.219598305689674
Energy: 1.2186590751096544
Energy: 1.2151980922145234
Energy: 1.337254765660575
Energy: 1.344193620168919
Energy: 1.5236420295508426
Energy: 1.2159848801293633
Energy: 1.216039502923845
Energy: 1.218109998414439
Energy: 1.3369115838602017
Energy: 1.34050078394599
Energy: 1.3367173449704626
Energy: 1.2210829970845734
Energy: 1.2104442191266676
Energy: 1.4697207217027222
Energy: 1.3372620173410925
Energy: 1.3374665376122463
Energy: 1.338904462233963
Energy: 1.2185118742358811

minimum gb energy = 1.2100720594180592 eV
minimum distance =  2.25087632349986 Angstroms
sigma value = 3


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

Energy: 2.1247580466231604
Energy: 1.9622544758808795
Energy: 1.467588766612332
Energy: 1.4298319790933263
Energy: 1.447722479260663
Energy: 1.9056040923620572
Energy: 1.6173156496815049
Energy: 1.4603992767741896
Energy: 1.3989127863971054
Energy: 1.416375324107509
Energy: 1.1935999294590343
Energy: 1.4463173810820478
Energy: 1.4147636279147395
Energy: 1.2901489058976554
Energy: 1.1980213957314383
Energy: 1.4265928646466397
Energy: 1.404751396419172
Energy: 1.5074744112944003
Energy: 1.4253004054894471
Energy: 1.2014107903254119
Energy: 1.394391741024716
Energy: 1.1884208619991006
Energy: 1.2905083034949738
Energy: 1.4338843112931683
Energy: 1.418088294371467
Energy: 1.43058867024975
Energy: 1.1917220790438212
Energy: 1.4267419293755073
Energy: 1.1915966623017162
Energy: 1.4250433077484947
Energy: 1.5960111973513604
Energy: 1.4691033652721388
Energy: 1.5809195683621604
Energy: 1.1911053583047946
Energy: 1.4872510910554066
Energy: 1.4794076862418208
Energy: 1.6278502619992812
Energy: 1.4374933380090105
Energy: 1.2586594296402656
Energy: 1.1939627483560915
Energy: 1.5638721756734708
Energy: 1.4358168424992128
Energy: 1.6237053896261344
Energy: 1.1952344727992765
Energy: 1.1939240728651894
Energy: 1.1865550484400302
Energy: 1.196754293787041
Energy: 1.4356145715812152
Energy: 1.5988260348236907
Energy: 1.1974796664159755
Energy: 1.2014866026881073
Energy: 1.1863421444944013
Energy: 1.2012790941205147
Energy: 1.8341958731723065
Energy: 1.5677611598804153
Energy: 1.4746522501114436
Energy: 1.196792327123457
Energy: 1.187784686874206
Energy: 1.1962809464598363
Energy: 1.4632663532691004
Energy: 1.6074606536354785
Energy: 1.4543330469986813
Energy: 1.1961472700406646
Energy: 1.3811880848973936
Energy: 1.200105978710057
Energy: 1.4333679794629444
Energy: 1.6006363183227759
Energy: 1.1917470630850469
Energy: 1.1917800502948475
Energy: 1.530598363125134
Energy: 1.4874790796664066
Energy: 1.2648148488429056
Energy: 1.1868966706480448
Energy: 1.191414965552312
Energy: 1.191560181161791
Energy: 1.5309806801298698
Energy: 1.486286571398436
Energy: 1.1892344703501811
Energy: 1.1856999710154883
Energy: 1.2020945513737284
Energy: 1.3927358937071677
Energy: 1.534118396899578
Energy: 1.203731436838026
Energy: 1.1995141099125672
Energy: 1.1874795825272284
Energy: 1.1990731957202607
Energy: 1.6275798466543685
Energy: 1.6092066914036074
Energy: 1.6232435080283232
Energy: 1.189005136428677
Energy: 1.1889211879802757
Energy: 1.7374110945243015
Energy: 1.4033896217292892
Energy: 1.4262978717565453
Energy: 1.3940440427942895
Energy: 1.1912242458247606
Energy: 2.155219563877171
Energy: 1.4037273037647087
Energy: 1.7212377598345203
Energy: 1.6067808961400107
Energy: 1.4245629653955572
Energy: 1.1795443195376516
Energy: 1.2823151692812762
Energy: 1.6284790749639946
Energy: 1.4898286634359945
Energy: 1.4161917820636005
Energy: 1.4044194208768765
Energy: 1.4498770224650155
Energy: 1.4112322907121608
Energy: 1.289741081244574
Energy: 1.4572551307735315
Energy: 1.4433899644606965
Energy: 1.4601528742320935
Energy: 1.1915818134290261
Energy: 1.420339353515236
Energy: 1.1966033338341573
Energy: 1.1939686103675202
Energy: 1.4158176476725317
Energy: 1.2830747518472092
Energy: 1.4400965866576565
Energy: 1.4161354424876431
Energy: 1.4352219094391563
Energy: 1.3000160820776046
Energy: 1.2002384326277953
Energy: 1.4560111519208485
Energy: 1.4593534067089964
Energy: 1.3957489324170722
Energy: 1.4138495222941052
Energy: 1.4164033020098952
Energy: 1.19185263343965
Energy: 1.4275161610920926
Energy: 1.4103419170377358
Energy: 1.5914351399985385
Energy: 1.4267979670995181
Energy: 1.4023213177147626
Energy: 1.604204905121875
Energy: 1.6468309518985529
Energy: 1.4238170297728594
Energy: 1.6266394722845052
Energy: 1.1980588084934007
Energy: 1.196655017580099
Energy: 1.1879642796585235
Energy: 1.3848853537784425
Energy: 1.6813670256040378
Energy: 1.5882118581805482
Energy: 1.5629492585472693
Energy: 1.1982856695365383
Energy: 1.1849713805989583
Energy: 1.2017600206137282
Energy: 1.420669976742722
Energy: 1.40647373294972
Energy: 1.2030628218929837
Energy: 1.1956801755320767
Energy: 1.1929295452051423
Energy: 1.1962373608582546
Energy: 1.5178044702678777
Energy: 1.8750031778418341
Energy: 1.1920405023119292
Energy: 1.1933515412207631
Energy: 1.1889932644402867
Energy: 1.2053654542463448
Energy: 1.7027079359227788
Energy: 1.6119163695644836
Energy: 1.4720384060668203
Energy: 1.1964278546675153
Energy: 1.3985579846435778
Energy: 1.464591279569943
Energy: 1.194833393888862
Energy: 1.187008807245806
Energy: 1.2087322678301615
Energy: 1.781899156962937
Energy: 1.2443104757294312
Energy: 1.409197255981495
Energy: 1.1871946784144418
Energy: 1.1868612982250797
Energy: 1.2016074046335927
Energy: 1.438282345261748
Energy: 1.5909204031380821
Energy: 1.2018195877115618
Energy: 1.2002931601170532
Energy: 1.18834392974972
Energy: 1.2010021963881234
Energy: 1.6016876728556777
Energy: 1.595594801490937
Energy: 1.2010986009001825
Energy: 1.1988477958024477
Energy: 1.1888276643429658
Energy: 1.1955133140552237
Energy: 1.7976710938616123
Energy: 1.4492065406875339
Energy: 1.407482436382449
Energy: 1.1955403668155495
Energy: 1.6233750380390097
Energy: 1.6386690923363023
Energy: 1.427743111779355
Energy: 1.5932537058863476
Energy: 1.4291643505009097
Energy: 1.1759433848530252

minimum gb energy = 1.1759433848530252 eV
minimum distance =  2.26657552117476 Angstroms
sigma value = 67


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

Energy: 2.0781900740443398
Energy: 2.161681693982001
Energy: 1.4026367874843744
Energy: 1.4192161303899171
Energy: 1.3921460087779154
Energy: 2.0958204496514568
Energy: 1.3644386591664603
Energy: 1.3374086615132552
Energy: 1.4916564041229805
Energy: 1.4494379693686015
Energy: 1.4879830874687687
Energy: 1.339664339616737
Energy: 1.4409445003109729
Energy: 1.2229089142064824
Energy: 1.5039138699543642
Energy: 1.45363280383711
Energy: 1.3339700619449308
Energy: 1.5436769871822316
Energy: 1.4488044583092587
Energy: 1.4984650058182316
Energy: 1.314628936221095
Energy: 1.3787364523534358
Energy: 1.2278373857936384
Energy: 1.4882569299366923
Energy: 1.4454179026161191
Energy: 1.5200939882167284
Energy: 1.5723574241233427
Energy: 1.398398538227971
Energy: 1.4689061049830279
Energy: 1.4927627659875062
Energy: 1.4903767650941602
Energy: 1.4065265298236187
Energy: 2.0263066280226387
Energy: 1.299906231749625
Energy: 1.5489584615975769
Energy: 1.4065531843031396
Energy: 1.6926470460307026
Energy: 1.5109300988630125
Energy: 1.7756885308157822
Energy: 1.3885984680895462
Energy: 1.7866499884672253
Energy: 1.4991055117034326
Energy: 1.774705479042738
Energy: 1.4120539806116412
Energy: 1.3307012088416856
Energy: 1.288186245787186
Energy: 1.3422832475013198
Energy: 1.6077796121153483
Energy: 1.6472581373631083
Energy: 1.3517504232570303
Energy: 1.3076517425744707
Energy: 1.2730370842630387
Energy: 1.3504048586007242
Energy: 1.8396547438916286
Energy: 1.483990718396246
Energy: 1.394793154565044
Energy: 1.3066409334034474
Energy: 1.2871562034849886
Energy: 1.3045467644000832
Energy: 1.1301363578227663
Energy: 1.7324461104800477
Energy: 1.145992728712839
Energy: 1.328405562382962
Energy: 1.4177383694187204
Energy: 1.8406112202457443
Energy: 1.1444471220458714
Energy: 1.4841487843271897
Energy: 1.134758520284037
Energy: 1.1509355329579716
Energy: 1.1270241540794483
Energy: 1.1961277105258084
Energy: 1.5986230299943038
Energy: 1.2671754727723785
Energy: 1.1356865636055287
Energy: 1.1331036064650906
Energy: 1.5959872218937898
Energy: 1.1319629956149713
Energy: 1.1347156057925416
Energy: 1.4925475384578393
Energy: 1.1447752271772837
Energy: 1.3590033639005819
Energy: 1.581210306542674
Energy: 1.481247206976015
Energy: 1.1442621126312391
Energy: 1.2681034270271803
Energy: 1.13564054023216
Energy: 1.5956050703812652
Energy: 1.5612621379024838
Energy: 1.4972568408954616
Energy: 1.1307178942416467
Energy: 1.3797876681537096
Energy: 1.4033353300481266
Energy: 1.6200357108210652
Energy: 1.553326589782082
Energy: 1.6560109090808754
Energy: 1.4778598360442081
Energy: 1.6848522950322797
Energy: 1.1698124521605087
Energy: 1.5688715185516051
Energy: 1.558296959744237
Energy: 1.5635407524095941
Energy: 1.4156922329643278
Energy: 1.6294970993993092
Energy: 1.411162290829987
Energy: 1.7116947945981273
Energy: 1.6558462469605013
Energy: 1.7236180751343664
Energy: 1.1764872127543056
Energy: 1.2962201852707294
Energy: 1.1707740950913712
Energy: 1.8822716663560195
Energy: 1.6429658463364691
Energy: 1.659490468390088
Energy: 1.1656847071305136
Energy: 1.1706776404684607
Energy: 1.1807374229046377
Energy: 1.2303451378606767
Energy: 1.6708986792773652
Energy: 1.536290601225041
Energy: 1.1697076091424468
Energy: 1.1574357871932444
Energy: 1.199142693613068
Energy: 1.3328310455767656
Energy: 1.6027362820664244
Energy: 1.1768887793275669
Energy: 1.1714495964807146
Energy: 1.1618413498076459
Energy: 1.1682026478404868
Energy: 1.3305922561396872
Energy: 1.4544773017411965
Energy: 1.5493399408487898
Energy: 1.1658685011441197
Energy: 1.543279495893888
Energy: 1.325215028214417
Energy: 1.4873558814759593
Energy: 1.695946041566044
Energy: 1.317595129408777
Energy: 1.338590029199131

minimum gb energy = 1.1270241540794483 eV
minimum distance =  2.26883931302891 Angstroms
sigma value = 33


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

Energy: 2.5759859066610753
Energy: 1.7620873807961108
Energy: 1.5877897265480385
Energy: 1.4920999223739784
Energy: 1.5162324082724359
Energy: 1.9948401969575125
Energy: 1.2718425276392191
Energy: 1.2935559843887294
Energy: 1.6724248652557812
Energy: 1.4360005401096823
Energy: 1.4401621756293024
Energy: 1.422198181779327
Energy: 1.2334555672396457
Energy: 1.2542039141343795
Energy: 1.4357438859113658
Energy: 1.4351407230252347
Energy: 1.4254385304576704
Energy: 1.2737874455482525
Energy: 1.255812768171721
Energy: 1.2639457779332848
Energy: 1.2940682115212805
Energy: 1.4815019274853838
Energy: 1.2824811138762566
Energy: 1.2629995632618578
Energy: 1.2315210333558393
Energy: 1.2961600959980621
Energy: 1.2504200227555244
Energy: 1.521624494721604
Energy: 1.2557665585349966
Energy: 1.240241405047194
Energy: 1.3230094775642856
Energy: 1.2584288553967808
Energy: 1.7090010235790878
Energy: 1.530805645231744
Energy: 1.6536956043441036
Energy: 1.2778103111252825
Energy: 1.624481791605231
Energy: 1.2573967559889478
Energy: 1.7285121197653892
Energy: 1.3427170655391545
Energy: 1.4327240668733223
Energy: 1.4347223210965323
Energy: 1.66883933763045
Energy: 1.2526392164371905
Energy: 1.2368036390396104
Energy: 1.235467362864436
Energy: 1.280765124413254
Energy: 1.4365327570276603
Energy: 1.328801412918613
Energy: 1.0723111556331826
Energy: 1.24968238922663
Energy: 1.2434529285498321
Energy: 1.2822346259716701
Energy: 1.8415201929758402
Energy: 1.5576788727367956
Energy: 1.4161439957876756
Energy: 1.2487525171658762
Energy: 1.2410587924515304
Energy: 1.2614926145155634
Energy: 1.6480114192247441
Energy: 1.586529635818707
Energy: 1.6762853902482968
Energy: 1.2628554839109827
Energy: 1.069689506452032
Energy: 1.4092226932688723
Energy: 1.6367729697192104
Energy: 1.5675210902466292
Energy: 1.4778870546457994
Energy: 1.0779136183105522
Energy: 1.436848567530096
Energy: 1.241370893080682
Energy: 1.4864236645887983
Energy: 1.6520580419533246
Energy: 1.4772558248963865
Energy: 1.0719517293983354
Energy: 1.287977163425344
Energy: 1.2859009490040703
Energy: 1.6039231274572687
Energy: 1.7592484805953563
Energy: 1.6903962467270919
Energy: 1.074597430926185
Energy: 1.0684952132154864
Energy: 1.2635316222922357
Energy: 1.8512570830563833
Energy: 1.5347208498111693
Energy: 1.0795258225286841
Energy: 1.0674945341241133
Energy: 1.06488087363003
Energy: 1.0781678168917124
Energy: 1.6451466976180347
Energy: 1.5566699409743934
Energy: 1.0773422573746088
Energy: 1.0800155119471795
Energy: 1.0662467066080101
Energy: 1.0774294147538648
Energy: 1.9297985071508081
Energy: 1.5582472688699005
Energy: 1.430890590673297
Energy: 1.0699196388719792
Energy: 1.0671909950604184
Energy: 1.0744087090991499
Energy: 1.4267067282997852
Energy: 1.5798356388377528
Energy: 1.4365324883088704
Energy: 1.697878902202726
Energy: 1.1009614795199354
Energy: 1.4052725117859557
Energy: 1.674708787919574
Energy: 1.540850111802409
Energy: 1.5366478542638506
Energy: 1.682275670453675
Energy: 1.4373976981056107
Energy: 1.6562462073859772
Energy: 1.5866710817967253
Energy: 1.47208130370247
Energy: 1.6884889325110894
Energy: 1.4743433957182828
Energy: 1.476593881593098
Energy: 1.2933476840706681
Energy: 1.445527734621776
Energy: 1.4432263977161293
Energy: 1.4365337196675718
Energy: 1.2496752773190172
Energy: 1.2329286783891533
Energy: 1.2724121792500134
Energy: 1.644982548630772
Energy: 1.4545573104718974
Energy: 1.2934643377549169
Energy: 1.2682840537958944
Energy: 1.250113125883698
Energy: 1.2649537988917958
Energy: 1.289073070649183
Energy: 1.5202545018596874
Energy: 1.2548617417236287
Energy: 1.2946501136423516
Energy: 1.2330945056191422
Energy: 1.2636206865066983
Energy: 1.4738255151959656
Energy: 2.154837254180671
Energy: 1.92735892969214
Energy: 1.37516510356266
Energy: 1.3237485116388947
Energy: 1.2415949100232855
Energy: 1.9663524634942091
Energy: 1.3161288777767342
Energy: 1.2512337772086002
Energy: 1.2767758084474512
Energy: 1.5134855600171429
Energy: 1.2492783654307362
Energy: 1.2752835374701639
Energy: 1.255098741547231
Energy: 1.2414718709354955
Energy: 1.4350774694221382
Energy: 1.6923947853243948
Energy: 1.2522365616173168
Energy: 1.23740007997592
Energy: 1.2410154466292214
Energy: 1.255234954549184
Energy: 1.3279993754080315
Energy: 1.3326002445354443
Energy: 1.3164767944241316
Energy: 1.2595745103158114
Energy: 1.249901087128222
Energy: 1.2524926256260094
Energy: 1.454711067916312
Energy: 1.44543705669003
Energy: 1.2597123567003243
Energy: 1.2527904093029074
Energy: 1.2373950091591202
Energy: 1.2668995164716
Energy: 1.665599899429404
Energy: 1.653710299683712
Energy: 1.6692204358872602
Energy: 1.2530623011472426
Energy: 1.4901901979100425
Energy: 1.2566307094199838
Energy: 1.4754452429684444
Energy: 1.5380362911786454
Energy: 1.6932793628489216
Energy: 1.2544194802521447
Energy: 1.5582231060795184
Energy: 1.067458686378201
Energy: 1.6646282008099547
Energy: 1.5568217156914492
Energy: 1.4831279944442168
Energy: 1.2603719851972133
Energy: 1.0726499863561378
Energy: 1.391727110693038
Energy: 1.6828396304288995
Energy: 1.723037161121979
Energy: 1.6672804079978594
Energy: 1.0719086883459379
Energy: 1.0630800348581546
Energy: 1.0715420397056457
Energy: 1.4078680491420053
Energy: 1.7430522496600944
Energy: 1.1424272989829751
Energy: 1.07046175626362
Energy: 1.0646466668235874
Energy: 1.0751448003290127
Energy: 1.1025797705390623
Energy: 1.5567141778331246
Energy: 1.0857488941305282
Energy: 1.072387132526321
Energy: 1.0667356882670382
Energy: 1.0744502909822131
Energy: 1.1374377055544493
Energy: 1.4377500217136212
Energy: 1.4129398753837916
Energy: 1.0710134903782909
Energy: 1.069177536579186
Energy: 1.6936901666485304
Energy: 1.6686710224819228
Energy: 1.6706696266105008
Energy: 1.1426175077975298
Energy: 1.078189684934271
Energy: 1.5432258358976874
Energy: 1.071192260379098
Energy: 1.5832515435475705
Energy: 1.5457574677408452
Energy: 1.5394602576210308
Energy: 1.4533599149229028

minimum gb energy = 1.0630800348581546 eV
minimum distance =  2.21734779947983 Angstroms
sigma value = 41


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

Energy: 1.9719468842138326
Energy: 1.910258341800125
Energy: 1.1897207140061674
Energy: 1.1870063266814965
Energy: 1.194342829699239
Energy: 1.9132231779012532
Energy: 1.6010092680982306
Energy: 0.9402780925649699
Energy: 0.9315715424125164
Energy: 1.2697917529489076
Energy: 0.9286493007573263
Energy: 1.3688969016342083
Energy: 1.2408535474314988
Energy: 0.9412885148974023
Energy: 0.9318159944966221
Energy: 0.872093518428977
Energy: 0.9394234507892084
Energy: 0.9384353865276656
Energy: 1.4234898889018248
Energy: 1.4306297867459792
Energy: 0.939948721403573
Energy: 1.2115177705940137
Energy: 0.9403269890195463
Energy: 1.410366789915953
Energy: 1.2431332986212684
Energy: 1.2442834061474852
Energy: 0.9382745324815708
Energy: 1.2776479275916637
Energy: 0.9285370222792118
Energy: 1.243817429818007
Energy: 1.2060490044308962
Energy: 1.241922661093048
Energy: 1.2478916125321735
Energy: 1.3909473589343018
Energy: 1.895143986049028
Energy: 1.2432355812208333
Energy: 1.6140751705168739
Energy: 0.9340835014647648
Energy: 0.9418161251002486
Energy: 1.2749329490931605
Energy: 0.9412969957534553
Energy: 1.8349871435735055
Energy: 1.613836054588834
Energy: 0.9392852309183103
Energy: 1.3107843314946281
Energy: 1.2092541550028904
Energy: 0.9430255050033968
Energy: 1.4427012000609118
Energy: 1.2372695024386684
Energy: 0.943378320252086
Energy: 0.937312418208214
Energy: 0.8710307099480628
Energy: 0.938809574071469
Energy: 0.935416367854995
Energy: 1.2574182524714501
Energy: 0.9363474106486281
Energy: 0.9393899312619682
Energy: 1.2732184178131027
Energy: 0.9432013229659141
Energy: 1.3811132870905978
Energy: 1.2593838902068353
Energy: 1.4556451112914164
Energy: 0.9320906921198852
Energy: 1.210857752318344
Energy: 0.9479705744464927
Energy: 1.317480345329068
Energy: 1.2455659601328741
Energy: 1.2389630295460188
Energy: 0.9404554702593926
Energy: 1.2565482378073285
Energy: 0.9461264437303109
Energy: 1.2378519913970423
Energy: 1.2515638097152282
Energy: 1.2454616481700538
Energy: 0.9460038969245488
Energy: 1.3529308216677334
Energy: 0.9345396169374672
Energy: 1.2341156837329679
Energy: 1.5875648771364501
Energy: 1.4098482387552966
Energy: 1.3125702954839542
Energy: 1.2077777362762323
Energy: 0.9380593881026776
Energy: 1.9384299140982466

minimum gb energy = 0.8710307099480628 eV
minimum distance =  2.23669481079586 Angstroms
sigma value = 11


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

Energy: 2.333295254396407
Energy: 1.160245603390937
Energy: 1.4078469094493893
Energy: 1.3305303058267002
Energy: 1.321757703766053
Energy: 2.1344764093980424
Energy: 1.1548807371185517
Energy: 1.3578354733987155
Energy: 1.5511698887876983
Energy: 1.472501740462798
Energy: 1.4491634460190024
Energy: 1.1861869291435265
Energy: 1.1623575893144442
Energy: 1.1694040736447342
Energy: 1.4553925201580336
Energy: 1.3657557397489117
Energy: 1.4410615010025711
Energy: 1.1662773311626957
Energy: 1.200738629259858
Energy: 1.2005074709932446
Energy: 1.2538905404614613
Energy: 1.3463162035065035
Energy: 1.2002596706937139
Energy: 1.2030303157889706
Energy: 1.1723547352681483
Energy: 1.1865436468513144
Energy: 1.6029175930449044
Energy: 1.5133100903656491
Energy: 1.1891487798031781
Energy: 1.186068505095533
Energy: 1.167242393603231
Energy: 1.1848987817564203
Energy: 1.4070056058649427
Energy: 1.4029409226973462
Energy: 1.8232719797559578
Energy: 1.1667938155276136
Energy: 1.4493462909064898
Energy: 1.3776873093101325
Energy: 1.5479534041647576
Energy: 1.3967300668762757
Energy: 1.574983372812359
Energy: 1.5651236186028143
Energy: 1.603904948616304
Energy: 1.36798480919943
Energy: 1.2778003290220141
Energy: 1.3488071927112482
Energy: 1.2628008258205046
Energy: 1.6144837004807127
Energy: 1.1675339848676336
Energy: 1.340750293182057
Energy: 1.576730636040163
Energy: 1.590132028055798
Energy: 1.580112817577025
Energy: 1.2105745929308516
Energy: 1.2848827942416485
Energy: 1.2857848316603369
Energy: 1.5559422427077554
Energy: 1.583681766461971
Energy: 1.3851969122175998
Energy: 1.2853041421424412
Energy: 1.3321513925073927
Energy: 1.432404573753794
Energy: 1.2595023265654735
Energy: 1.3093705343342588
Energy: 1.4761326964245587
Energy: 1.350720577575237
Energy: 1.307646222293348
Energy: 1.3628230094981995
Energy: 1.4182029802477256
Energy: 1.2852612784284492
Energy: 1.4304184446685668
Energy: 1.3770586862081793
Energy: 1.25967030055336
Energy: 1.5050792314197883
Energy: 1.3573691455515382
Energy: 1.2971393998548952
Energy: 1.3156321059812128
Energy: 1.3835045299252928
Energy: 1.4247826192955688
Energy: 1.373856591470527
Energy: 1.3286277524827206
Energy: 1.1664208071155198
Energy: 1.1718574929337855
Energy: 1.612048085645447
Energy: 1.377341080820455
Energy: 1.4143406408629722
Energy: 1.2743691200623173
Energy: 1.1821589073363594
Energy: 1.3945559933785188
Energy: 1.3686465863760664
Energy: 1.3130111132605529
Energy: 1.3139438099665355
Energy: 1.3542413498295585
Energy: 1.592113404329667
Energy: 1.3727644937189203
Energy: 1.2659196170683098
Energy: 1.484839080311643
Energy: 1.3677518074696533
Energy: 1.188452896425007
Energy: 1.154392346798609
Energy: 1.3643491038607072
Energy: 1.382289199692893
Energy: 1.681367017369887
Energy: 1.4515040875873484
Energy: 1.1684140358275812
Energy: 1.1668490673446321
Energy: 1.1867014544935877
Energy: 1.6540501407102988
Energy: 1.3928661966966702
Energy: 1.3557353633063864
Energy: 1.203067013042937
Energy: 1.2021181361632152
Energy: 1.203350519259436
Energy: 1.5597135663484536
Energy: 1.5073785666522108
Energy: 1.3968809741117272
Energy: 1.185211013741655
Energy: 1.1670924125335516
Energy: 1.188183386890751
Energy: 1.5354387774993237
Energy: 1.5024858352613293
Energy: 1.8696583878646689
Energy: 1.166623811000414
Energy: 1.1677403039491925
Energy: 1.1867578319187133
Energy: 1.7906992701746167
Energy: 1.5081813125887802
Energy: 1.568804060913067
Energy: 1.3702678208980907
Energy: 1.472877408482228
Energy: 1.3811748374717174
Energy: 1.520455638350047
Energy: 1.3137914980992689
Energy: 1.1712984570043998
Energy: 1.3494743374680822
Energy: 1.5301216321616202
Energy: 1.681215700684022
Energy: 1.2893971832439837
Energy: 1.554539276973669
Energy: 1.563461470309883
Energy: 1.1675331799572313
Energy: 1.257160789256354
Energy: 1.354427726789624
Energy: 1.4693963797309728
Energy: 1.3491154258348417
Energy: 1.4044020604224692
Energy: 1.1743282759736036
Energy: 1.1646750662881011
Energy: 1.2858206048308953
Energy: 1.71099466951443
Energy: 1.2655012842724784
Energy: 1.4639370552439477
Energy: 1.3183295756735587
Energy: 1.3095424657349204
Energy: 1.3665398348325892
Energy: 1.374242483440021
Energy: 1.2985986958222682
Energy: 1.4231957099609422
Energy: 1.3679046780247162
Energy: 1.3092329312429911
Energy: 1.2398855337778854
Energy: 1.3148172639627569
Energy: 1.288091680517969
Energy: 1.28434829493623
Energy: 1.253241407677365
Energy: 1.2650291255452104
Energy: 1.4450584247468687
Energy: 1.285547264464107
Energy: 1.2840103476137743
Energy: 1.2574051271125641
Energy: 1.4255548985716222
Energy: 1.3702196535588147
Energy: 1.3713341104399945
Energy: 1.2645148286672432
Energy: 1.1643728355680785
Energy: 1.3682877352910534
Energy: 1.5512474838962225
Energy: 1.4045603917144642
Energy: 1.3631510876682769
Energy: 1.365704040932795
Energy: 1.620648868410082
Energy: 1.4622206246959881
Energy: 1.1676470383338198
Energy: 1.3091188791789188
Energy: 1.266279527223318
Energy: 1.6408965566888676

minimum gb energy = 1.154392346798609 eV
minimum distance =  2.23143437325333 Angstroms
sigma value = 57


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

Energy: 2.4333520788161835
Energy: 1.282733736348995
Energy: 1.3271895509955325
Energy: 1.325721648533083
Energy: 1.3155184836659264
Energy: 1.28274425364606
Energy: 1.2229934402011073
Energy: 1.447988173158786
Energy: 1.431707165859089
Energy: 1.2361624415077672
Energy: 1.2827633461285006
Energy: 1.2414949258227213
Energy: 1.2365164821290666
Energy: 1.241692397554849
Energy: 1.3480618054109443
Energy: 1.387667447865284
Energy: 1.352586922388887
Energy: 1.2401996360616796
Energy: 1.3152221931961006
Energy: 1.3137556412151863
Energy: 1.3513841026793751
Energy: 1.2368212724478185
Energy: 1.311850928117992
Energy: 1.3073172675857365
Energy: 1.2347113519352935
Energy: 1.2424097875205213
Energy: 1.2829036456921463
Energy: 1.2359204832014723
Energy: 1.6834124028170332
Energy: 1.2406896774702232
Energy: 1.2404841133504416
Energy: 1.425832938486044
Energy: 1.2872898801098747
Energy: 1.239866263956923
Energy: 1.4154707894311425
Energy: 1.2389731395621713
Energy: 1.3222864648367372
Energy: 1.2923014608136583
Energy: 1.2390001051744226
Energy: 1.30741498387869
Energy: 1.3474809943035393
Energy: 1.3106188497226694
Energy: 1.3120675531031019
Energy: 1.346720014370985
Energy: 1.3950092051186045
Energy: 1.314368518548542
Energy: 1.2422170011013556
Energy: 1.2845080794454757
Energy: 1.3141324585122482
Energy: 1.2391595797276327
Energy: 1.5483792603335884
Energy: 1.2243186144051286
Energy: 1.3449377974299248
Energy: 1.3785134057751427
Energy: 1.3213568361383214
Energy: 1.2421436494245237
Energy: 1.2220356846139657
Energy: 1.2223574126820376
Energy: 1.2836193544143621
Energy: 1.2378119620129144
Energy: 1.2220778543455582
Energy: 1.3550934237066468
Energy: 1.239235264126133
Energy: 1.2401811994466807
Energy: 1.3472370463965735
Energy: 1.3143697189852488
Energy: 1.2251839794469692
Energy: 1.2922121938325926
Energy: 1.3086990499412585
Energy: 1.235656303104254
Energy: 1.311481622809417
Energy: 1.2810740225614554
Energy: 1.2351562241958793
Energy: 1.6125377733041055
Energy: 1.2418678494634428
Energy: 1.236164451656997
Energy: 1.3111811591633638
Energy: 1.2408904802907934
Energy: 1.2400508530801218
Energy: 1.285820239523785
Energy: 1.2415069866172603
Energy: 1.2389176472499588
Energy: 1.4243470440497894
Energy: 1.3090042841896568
Energy: 1.2438640449780636
Energy: 1.4344636412805418
Energy: 1.3489967154314888
Energy: 1.3428444771285646
Energy: 1.2914483292111694
Energy: 1.2370204675022727
Energy: 1.310378081441219
Energy: 1.320175969860645
Energy: 1.2402689729723633
Energy: 1.4146769775932693
Energy: 1.2412537569832454
Energy: 1.314785893135136
Energy: 1.2893336989070063
Energy: 1.2420705328197699
Energy: 1.4331811891888933
Energy: 1.2408827845389712
Energy: 1.282153356753262
Energy: 1.2385885670606698

minimum gb energy = 1.2220356846139657 eV
minimum distance =  2.26841268809887 Angstroms
sigma value = 9


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

Energy: 2.6971169068147867
Energy: 1.362512209119739
Energy: 1.3706195200911635
Energy: 1.3659640903942458
Energy: 1.4144749041278195
Energy: 1.364007092328943
Energy: 1.3957584207885554
Energy: 1.5494948913487747
Energy: 1.5875180180632735
Energy: 1.3514794860899813
Energy: 1.3906290368787348
Energy: 1.377638877863486
Energy: 1.3322477576281506
Energy: 1.3787697261540066
Energy: 1.5875264632774477
Energy: 1.3201249163386999
Energy: 1.3890791492689818
Energy: 1.3375359628942363
Energy: 1.3351014988891405
Energy: 1.3792781443152018
Energy: 1.6163733428804976
Energy: 1.3419900897802297
Energy: 1.506089544839479
Energy: 1.3547588039161669
Energy: 1.359938231770504
Energy: 1.5086775617113983
Energy: 1.371744243283602
Energy: 1.338809507061035
Energy: 1.4216642244295894
Energy: 1.4830021865074166
Energy: 1.3372681323017674
Energy: 1.459698200404392
Energy: 1.3547161926098816
Energy: 1.3471273607950083
Energy: 1.4875748806007854
Energy: 1.4485698559021654
Energy: 1.3513587380223948
Energy: 1.466450841145862
Energy: 1.372021081241481
Energy: 1.3433625148448494
Energy: 1.3552965266965422
Energy: 1.6845766973862666
Energy: 1.3527189739775514
Energy: 1.5212230102325373
Energy: 1.5057591255440694
Energy: 1.3356776797214758
Energy: 1.4955791746992828
Energy: 1.3852910611011493
Energy: 1.3665020690590135
Energy: 1.3454917481347966
Energy: 1.485455025475723
Energy: 1.3650782608137642
Energy: 1.4849756697922902
Energy: 1.3711403856735835
Energy: 1.4144641908569802
Energy: 1.3382106555982543
Energy: 1.4880307517642324
Energy: 1.365558267851267
Energy: 1.4872335198912003
Energy: 1.3582880198767093
Energy: 1.3994825115036187
Energy: 1.481406441119554
Energy: 1.3671706153260583
Energy: 1.3563532598415828
Energy: 1.5495648680050906
Energy: 1.325835948616512
Energy: 1.4051994186808674
Energy: 1.3874822924797034
Energy: 1.3487418347117668
Energy: 1.3635243807472446
Energy: 1.5847173791477887
Energy: 1.6431232646052123
Energy: 1.374684667714725
Energy: 1.333393947360079
Energy: 1.482161914736087
Energy: 1.3188146372831293
Energy: 1.4821359285349849
Energy: 1.3232530233521562
Energy: 1.3450221384432866
Energy: 1.3690053722914721
Energy: 1.3873634238481334
Energy: 1.322756728796416
Energy: 1.3680874616530168
Energy: 1.3535899971907512
Energy: 1.3605694338064858
Energy: 1.4897969564736737
Energy: 1.4413528881802922
Energy: 1.3393590738665186
Energy: 1.559738417215854
Energy: 1.4879884003304051
Energy: 1.3315837250339237
Energy: 1.453624045698632
Energy: 1.4813899321059754
Energy: 1.5398880528736314
Energy: 1.4904926983715259
Energy: 1.4522732961354587
Energy: 1.3439236612752
Energy: 1.5687811268101486
Energy: 1.36798918616398
Energy: 1.342356990600515
Energy: 1.3870629578194058
Energy: 1.444202894263753
Energy: 1.3726975013759515
Energy: 1.4852829767723417
Energy: 1.3382491793298363
Energy: 1.3261885235311957
Energy: 1.5312581089153412
Energy: 1.4846903860368121
Energy: 1.3832725826712666
Energy: 1.385884957741927
Energy: 1.4862838983924442
Energy: 1.3391551709194864
Energy: 1.3877006473979294
Energy: 1.355451810488714
Energy: 1.3647044128578594
Energy: 1.363317770819519
Energy: 1.4856452541452838
Energy: 1.4502989275895102
Energy: 1.4487367584089925
Energy: 1.3619895642098752
Energy: 1.4073573218609
Energy: 1.385653729273772
Energy: 1.3329864533881668
Energy: 1.3871541973028996
Energy: 1.4847352878408786
Energy: 1.3524691723786149

minimum gb energy = 1.3188146372831293 eV
minimum distance =  2.25444056349497 Angstroms
sigma value = 27


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

Energy: 1.6096901058137696
Energy: 1.5167384241794237
Energy: 1.5610645992824523
Energy: 1.533857769615081
Energy: 1.3752527275882187
Energy: 1.5297181924987744
Energy: 1.385268572263892
Energy: 1.3954554819545255
Energy: 1.3893700156528819
Energy: 1.5270938062694743
Energy: 1.5693707224981226
Energy: 1.386181721784894
Energy: 1.3883624157931747
Energy: 1.3784265980842048
Energy: 1.658108884749116
Energy: 1.862581229053656
Energy: 1.5207694761549122
Energy: 1.3765226384464389
Energy: 1.357879620074365
Energy: 1.3811909889034348
Energy: 1.5291154964875668
Energy: 1.34605743882342
Energy: 1.6672438998257926
Energy: 1.3788348239943646
Energy: 1.6631625471547977
Energy: 1.6014649286172646
Energy: 1.4491093063890936
Energy: 1.3820567985164192
Energy: 1.4861132957625047
Energy: 1.6033393034251255
Energy: 1.3484729905252322
Energy: 1.5432892264408358
Energy: 1.4595643268999976
Energy: 1.354426139073211
Energy: 1.5238043328925515
Energy: 1.366947950742778
Energy: 1.3533082972453763
Energy: 1.5302181103605381
Energy: 1.4632584136731461
Energy: 1.469963821367074
Energy: 1.4812770383046483
Energy: 1.6641946735418998
Energy: 1.3797081031264737
Energy: 1.629773253850172
Energy: 1.3884943567765622
Energy: 1.3617215323334926
Energy: 1.6615383222875157
Energy: 1.3844029658300436
Energy: 1.338336815088202
Energy: 1.3719881579936697
Energy: 1.4464822039354113
Energy: 1.3813570525149936
Energy: 1.6649886537906322
Energy: 1.3838599456308691
Energy: 1.3225159635398351
Energy: 1.5709528701154991
Energy: 1.8695757068476373
Energy: 1.385943411658507
Energy: 1.4513188065852272
Energy: 1.444814343351028
Energy: 1.3915017489316535
Energy: 1.6725953983949915
Energy: 1.3986337789543495
Energy: 1.3891719182371767
Energy: 1.3872526228865507
Energy: 1.9051908853842485
Energy: 1.403817283537201
Energy: 1.7008246506726563
Energy: 1.3942318221714265
Energy: 1.3862309133076685
Energy: 1.3558417473538316
Energy: 1.3332847806152444
Energy: 1.3233783852089434
Energy: 1.3187217718703743
Energy: 1.3011422345947392
Energy: 1.3291127766403092
Energy: 1.4496769290539337
Energy: 1.3187224461048943
Energy: 1.3386121868460672
Energy: 1.319058524325181
Energy: 1.3974364154760606
Energy: 1.3976642372563357
Energy: 1.328410228453655
Energy: 1.359443308273725
Energy: 1.3813246807605193
Energy: 1.6789347346856733
Energy: 1.3724348803138156
Energy: 1.3478075184568858
Energy: 1.3906918869103435
Energy: 1.777513314755367
Energy: 1.3516514636217207
Energy: 1.4714616495943307
Energy: 1.3799226799844662
Energy: 1.3964008874871174
Energy: 1.393442544215921
Energy: 1.3068949049899339
Energy: 1.3298165160638207
Energy: 1.4353650039152557
Energy: 1.6385758885008388
Energy: 1.3392811767075088
Energy: 1.5411413479401148
Energy: 1.3595801774202048
Energy: 1.3846126311506102
Energy: 1.4583776049059518
Energy: 1.3771234445300118
Energy: 1.3503017321499846
Energy: 1.5319527511925017
Energy: 1.4572061734138082
Energy: 1.3431773736992247
Energy: 1.4764119423903592
Energy: 1.5525884377169004
Energy: 1.346436801982449
Energy: 1.5077122998316421
Energy: 1.475395417637253
Energy: 1.3777904653841606
Energy: 1.4967010510386138
Energy: 1.5921735088052589
Energy: 1.3678430271705007
Energy: 1.606823876258846
Energy: 1.3839781275318572
Energy: 1.4056294019239133
Energy: 1.502329672551358
Energy: 1.397033702132137
Energy: 1.3529965602427705
Energy: 1.3916038867557632
Energy: 1.3717123249052554
Energy: 1.3221120675919604
Energy: 1.5950677053660574
Energy: 1.3588052499089107
Energy: 1.338847064134674
Energy: 1.3777927720168044
Energy: 1.5360423343922787
Energy: 1.3815241681017465
Energy: 1.3890672461067617
Energy: 1.4794570004310026
Energy: 1.412115466700109
Energy: 1.5553005087161202
Energy: 1.395028072158564
Energy: 1.3928649345291821
Energy: 1.4854853624055726
Energy: 1.4704843309206668
Energy: 1.4762675839623876
Energy: 1.5275200847640538
Energy: 1.380566477434216
Energy: 1.3890235731928655
Energy: 1.4372038573556707
Energy: 1.5242076628106922
Energy: 1.5182347543420296
Energy: 1.3540092443586382
Energy: 1.3622451952945838

minimum gb energy = 1.3011422345947392 eV
minimum distance =  2.24469539116548 Angstroms
sigma value = 19


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

Energy: 1.4221880967328528
Energy: 1.3001952991834378
Energy: 1.3182613108592383
Energy: 1.3217948090974376
Energy: 1.3180803580093232
Energy: 1.3481225092584626
Energy: 1.3151337757523216
Energy: 1.2893841894231681
Energy: 1.3066222779749215
Energy: 1.3260993009256465
Energy: 1.3122833727478824
Energy: 1.288497795171972
Energy: 1.3158948074282724
Energy: 1.271436217242868
Energy: 1.6852095490215944
Energy: 1.680052242753335
Energy: 1.271846241414479
Energy: 1.2731463104132397
Energy: 1.275786365670825
Energy: 1.2704249203694766
Energy: 1.2712616722345342
Energy: 1.290826127760735
Energy: 1.4074310814943292
Energy: 1.2897559207648166
Energy: 1.2496647580513682
Energy: 1.5165786423458352
Energy: 1.2879177245461488
Energy: 1.2745966911242692
Energy: 1.4741803222647105
Energy: 1.6041479485367067
Energy: 1.2708999345684175
Energy: 1.5418026472857178
Energy: 1.2881170956138086
Energy: 1.2816091791389217
Energy: 1.3400984478052027
Energy: 1.2705944240614906
Energy: 1.278804751535401
Energy: 1.494379613730022
Energy: 1.4662851224766904
Energy: 1.2736391016161344
Energy: 1.4572303553862886
Energy: 1.4211920287827737
Energy: 1.2823728248346253
Energy: 1.4702850262215816
Energy: 1.278919480333519
Energy: 1.278255573359301
Energy: 1.4893181434382499
Energy: 1.2878979595911755
Energy: 1.2833382258229868
Energy: 1.3885788360264948
Energy: 1.4716106832092684
Energy: 1.2745259662414201
Energy: 1.4283788112345746
Energy: 1.3879139017602975
Energy: 1.283613703911303
Energy: 1.4532015927940547
Energy: 1.2706457614474134
Energy: 1.2740686490034876
Energy: 1.6318239942304353
Energy: 1.2735791634007407
Energy: 1.2666995566375003
Energy: 1.3172172419297563
Energy: 1.3213279152199762
Energy: 1.3159717953571541
Energy: 1.2711863716670062
Energy: 1.8534100215302416
Energy: 1.2760634144468415
Energy: 1.7026607440006218
Energy: 1.452270871903355
Energy: 1.2682448902933703
Energy: 1.2751841241463657
Energy: 1.30537569337268
Energy: 1.3291326003292436
Energy: 1.3297009191405125
Energy: 1.725161976066855
Energy: 1.3029838062074206
Energy: 1.28733751357514
Energy: 1.3263354178728366
Energy: 1.3232093949590062
Energy: 1.2866511001562178
Energy: 1.3149075217604453
Energy: 1.2868383516356905
Energy: 1.5234518959803471
Energy: 1.4036346084589073
Energy: 1.3397899613376723
Energy: 1.500146070322855
Energy: 1.3202520502998192
Energy: 1.319944946364151
Energy: 1.2709445425337735
Energy: 1.287003702569476
Energy: 1.3566604798841193
Energy: 1.3799347681134027
Energy: 1.2910909155671686
Energy: 1.3187614894483148
Energy: 1.2857270636296054
Energy: 1.300966807706848
Energy: 1.272567814194221
Energy: 1.2746899451106772
Energy: 1.708549031130351
Energy: 1.2884852152138186
Energy: 1.3564015394165825
Energy: 1.2714418960345868
Energy: 1.2737203345498282
Energy: 1.2722072833718563
Energy: 1.2811476424354644
Energy: 1.2910459548755453
Energy: 1.6756101981907574
Energy: 1.2720074696979409
Energy: 1.2538981274450154
Energy: 1.5789832676079072
Energy: 1.3285592537035251
Energy: 1.2733474785701169
Energy: 1.3772358105989715
Energy: 1.5741338768887332
Energy: 1.2688603010475668
Energy: 1.5519235536913982
Energy: 1.3416584565072773
Energy: 1.316747235732095
Energy: 1.342313477237546
Energy: 1.2734233654048221
Energy: 1.2861201115920122
Energy: 1.4895052789682233
Energy: 1.4472854092443057
Energy: 1.27344351938809
Energy: 1.4489428980723171
Energy: 1.2812907833319407
Energy: 1.2836673681497452
Energy: 1.4679291565956742
Energy: 1.2795112601355187
Energy: 1.2754756044232458
Energy: 1.479207676888353
Energy: 1.4119511098835962
Energy: 1.2836682372198072
Energy: 1.3406241831506798
Energy: 1.4136365931297519
Energy: 1.273780945530741
Energy: 1.421787571437263
Energy: 1.3756105683196733
Energy: 1.2854400420377736
Energy: 1.3873233496172748
Energy: 1.581532116523037
Energy: 1.2685764425527248
Energy: 1.4374264947648456
Energy: 1.3534914939822116
Energy: 1.3255486367794795
Energy: 1.2701335306253303
Energy: 1.2725078714172913
Energy: 1.3244763844339136
Energy: 1.2723756766937504
Energy: 1.2863333795329013
Energy: 1.2724214671632308
Energy: 1.5371706182419904
Energy: 1.4295967663130562
Energy: 1.2678014995052937
Energy: 1.3756127948595749
Energy: 1.2740684841065764
Energy: 1.3256792307966623
Energy: 1.28428876829829
Energy: 1.2699223144353395
Energy: 1.2879713963526447
Energy: 1.2863850491027518
Energy: 1.3197241097636057
Energy: 1.333192711892328
Energy: 1.4516173238966628
Energy: 1.545621931542069
Energy: 1.3262884609603303
Energy: 1.285636735345886
Energy: 1.3166818158758724
Energy: 1.2887996282447534
Energy: 1.5207555258494059
Energy: 1.3585652203261
Energy: 1.3184655276380215
Energy: 1.284024561984696
Energy: 1.2526829777248478

minimum gb energy = 1.2496647580513682 eV
minimum distance =  2.26864306913842 Angstroms
sigma value = 101


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

Energy: 2.318880123896304
Energy: 1.5655063624941763
Energy: 1.2717044155157344
Energy: 1.2835567256568392
Energy: 1.2832847662336628
Energy: 1.6964528320148478
Energy: 1.2754329361344643
Energy: 1.245897220484184
Energy: 1.2548038008662326
Energy: 1.3009538481919671
Energy: 1.2601676213896051
Energy: 1.35675345069253
Energy: 1.2861520789366372
Energy: 1.228131291054817
Energy: 1.6820163677023656
Energy: 1.6701695509146104
Energy: 1.2275483860542395
Energy: 1.3388370993047733
Energy: 1.248657283890349
Energy: 1.2495862564516371
Energy: 1.231533442743758
Energy: 1.2450295061377952
Energy: 1.2323783680248819
Energy: 1.251916537701851
Energy: 1.2299723057002827
Energy: 1.3688354125020137
Energy: 1.240442817135205
Energy: 1.2684084456328986
Energy: 1.4518289050844946
Energy: 1.4880801021519807
Energy: 1.2471795192637527
Energy: 1.2307881479050542
Energy: 1.2278754060618724
Energy: 1.2233132792367025
Energy: 1.2222258668921195
Energy: 1.2283925445615012
Energy: 1.2259614497392546
Energy: 1.432506973800898
Energy: 1.4657141092636023
Energy: 1.2243527869300788
Energy: 1.446337217657503
Energy: 1.3993711082000622
Energy: 1.2336712005660282
Energy: 1.332598701590116
Energy: 1.2231899801535902
Energy: 1.2209906337738459
Energy: 1.4738578775994409
Energy: 1.2317650418030965
Energy: 1.229031346924051
Energy: 1.4045275379790536
Energy: 1.4533139192673683
Energy: 1.2238532131513817
Energy: 1.4305157032446425
Energy: 1.3917493228635072
Energy: 1.228789205551201
Energy: 1.4169543509608242
Energy: 1.2362537948790029
Energy: 1.2286136355031168
Energy: 1.5045701997242307
Energy: 1.2290089342072235
Energy: 1.2484878787640288
Energy: 1.3764970590116588
Energy: 1.223412217258887
Energy: 1.2287238182598519
Energy: 1.3053414877832386
Energy: 1.4142052227984556
Energy: 1.2490022229847226
Energy: 1.605523106883187
Energy: 1.2976952955371068
Energy: 1.2242758664786786
Energy: 1.3686442386422675
Energy: 1.2456288453982196
Energy: 1.251010688973155
Energy: 1.2433053181985791
Energy: 1.2478840505661426
Energy: 1.2419305347213936
Energy: 1.5059157087793162
Energy: 1.2393984420540405
Energy: 1.2263807984915878
Energy: 1.2423907048301142
Energy: 1.2558883082516925
Energy: 1.2443350649412994
Energy: 1.247807672412879
Energy: 1.3361934640390154
Energy: 1.3385977521983687
Energy: 1.4427422579234266
Energy: 1.28925186671604
Energy: 1.5391125558674175
Energy: 1.2493904435867722
Energy: 1.2400762184488663
Energy: 1.26069323725836
Energy: 1.2700907377143298
Energy: 1.3311794260986876
Energy: 1.2900114423824058
Energy: 1.256229188409334
Energy: 1.261458688787302
Energy: 1.2805585689618377
Energy: 1.2630472299061148
Energy: 1.3985420055845326
Energy: 1.255769462594431
Energy: 1.367540052332244
Energy: 1.2663871973013976
Energy: 1.2886809530505547
Energy: 1.256417444319661
Energy: 1.3173689076708284
Energy: 1.3196997520957845
Energy: 1.4803583527968058
Energy: 1.2566838141195433
Energy: 1.2583033083217179
Energy: 1.2268369041498528
Energy: 1.3097816292932458
Energy: 1.2242202697052174
Energy: 1.3999549147706047
Energy: 1.6756013806077108
Energy: 1.2742695458315112
Energy: 1.235907830799255
Energy: 1.2496468199089399
Energy: 1.2489659342128767
Energy: 1.2510490512500587
Energy: 1.2323176227639088
Energy: 1.2242447883688368
Energy: 1.2296881151428074
Energy: 1.5803175535073881
Energy: 1.2215941014408425
Energy: 1.3716319165501851
Energy: 1.2922395682016883
Energy: 1.2212485648773024
Energy: 1.291376113648267
Energy: 1.228976652766377
Energy: 1.2508516580476274
Energy: 1.2958422875015605
Energy: 1.2263973767201675
Energy: 1.2231476529694718
Energy: 1.43935531548167
Energy: 1.3411074865140986
Energy: 1.2292471278167074
Energy: 1.4447970751991732
Energy: 1.4507952218479778
Energy: 1.225511395767517
Energy: 1.4719676621505782
Energy: 1.3283380966423413
Energy: 1.2291288007664072
Energy: 1.3925572448389612
Energy: 1.2241094451859822
Energy: 1.2237783081764444
Energy: 1.4232123629173286
Energy: 1.3853232887293323
Energy: 1.2294664520223237
Energy: 1.3937746614442508
Energy: 1.2295719155534581
Energy: 1.2235658164035754
Energy: 1.4685571425664166
Energy: 1.2290632404707806
Energy: 1.2325549551109005
Energy: 1.4097064236681371
Energy: 1.398626235464952
Energy: 1.2238730808883367
Energy: 1.295962099007219
Energy: 1.6128239371083195
Energy: 1.247488326694983
Energy: 1.3765452280616912
Energy: 1.234054697300078
Energy: 1.228899217765948
Energy: 1.4295899822989868
Energy: 1.5921590417606464
Energy: 1.2409235705573551
Energy: 1.370538229445434
Energy: 1.2318271517320694
Energy: 1.2382371905504712
Energy: 1.2472642550767725
Energy: 1.3202504984619827
Energy: 1.2471298474913617
Energy: 1.248536574684281
Energy: 1.2540715259657995
Energy: 1.2379973095853476
Energy: 1.2572705880991926
Energy: 1.308059277213737
Energy: 1.235324767345773
Energy: 1.4407998885437803
Energy: 1.238897154200217
Energy: 1.2961253308536709
Energy: 1.2538240533486658
Energy: 1.4721338223111333
Energy: 1.267092418354409
Energy: 1.2542715640503914
Energy: 1.3017000616526158
Energy: 1.2908212921784081
Energy: 1.4188649301106468
Energy: 1.2483753183928146
Energy: 1.2584407237820046
Energy: 1.2541458856496672
Energy: 1.2640980435255822
Energy: 1.268911350799926
Energy: 1.477854500625309
Energy: 1.272467051958386
Energy: 1.282514167990636
Energy: 1.3310912083028636
Energy: 1.260005099132794

minimum gb energy = 1.2209906337738459 eV
minimum distance =  2.28963580219368 Angstroms
sigma value = 33


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

Energy: 0.014917206428435107
Energy: 0.015476403253360577
Energy: 0.09537383487911918
Energy: 0.09528461549323738
Energy: 0.09677879228837874
Energy: 0.015362919245389706
Energy: 0.015275686687881046
Energy: 0.10942581194091443
Energy: 0.10948972542149356
Energy: 0.11025921744629388
Energy: 0.1092169037044279
Energy: 0.10943739505662846
Energy: 1.013202721434917
Energy: 0.09539228192227193
Energy: 0.015538844668139307
Energy: 0.016559071443623605
Energy: 0.09634287997020512
Energy: 0.09524990707817424
Energy: 0.015275686687881046
Energy: 0.10942581194091443
Energy: 0.10948972542220034
Energy: 0.11025921744700064
Energy: 0.1092169037044279
Energy: 0.10943739505662846

minimum gb energy = 0.014917206428435107 eV
minimum distance =  2.45359628671345 Angstroms
sigma value = 1