Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
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=2.863645777106285
cohesive_energy=4.290547129999928
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=[2.31359112479502e-19, 3.0632015065445995e-19, 3.62521302621912e-19, 4.08149690981598e-19, 4.466227584938399e-19, 4.79762179991496e-19, 5.086830704118299e-19, 5.341272375363839e-19, 5.56621797477744e-19, 5.76557681334606e-19, 5.942344961375279e-19, 6.098909662049759e-19, 6.23717750556396e-19, 6.35873464678554e-19, 6.465103153516799e-19, 6.557116157607419e-19, 6.635750986804139e-19, 6.701952925321019e-19, 6.75642693087702e-19, 6.79986193942476e-19, 6.8328026910198e-19, 6.85577790395136e-19, 6.86926823120964e-19, 6.87367421695314e-19, 6.868915752350159e-19, 6.853454747832059e-19, 6.825304504372679e-19, 6.782045735254679e-19, 6.72082656606954e-19, 6.638122208222459e-19, 6.529718937166019e-19, 6.39047376590508e-19, 6.21402605320266e-19, 5.99257319885118e-19, 5.71635794714958e-19, 5.3732037556794595e-19, 4.947665641689059e-19, 4.42010091964554e-19, 3.7651631551990193e-19, 2.94983148792276e-19, 1.93067090926902e-19, 6.49483955184384e-20, -9.72639777908916e-20, -3.04471238818824e-19, -5.72007499694046e-19, -9.21983759271738e-19, -1.387053979529454e-18, -2.01696414277626e-18, -2.89026256067064e-18, -4.1364195248295e-18, -5.980444721731799e-18, -8.840153773992059e-18, -1.356112744373646e-17, -2.20654970387748e-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: 0.013185823183010748
Energy: 0.013569757167448165
Energy: 0.2253342173774309
Energy: 0.22546903743278165
Energy: 0.22674347858786129
Energy: 0.013251755619881423
Energy: 0.013569757167448165
Energy: 1.1064965312059123
Energy: 0.22547872561402124
Energy: 0.22535164437212327
Energy: 0.22542783232063646
Energy: 0.22541845978211425
Energy: 0.2253342173774309
Energy: 0.22547872561402124
Energy: 1.107457075137156
Energy: 0.01344489067887385
Energy: 0.22542842051481976
Energy: 0.22553146365251758
Energy: 0.22546903743325364
Energy: 0.22535164437212327
Energy: 0.01344489067887385
Energy: 0.013336104347577772
Energy: 0.22582660358875703
Energy: 0.22539950768980738
Energy: 0.22674347858833327
Energy: 0.22542783232013672
Energy: 0.22542842051481976
Energy: 0.22582660358875703
Energy: 1.1062924326361003
Energy: 0.2253788528018374
Energy: 0.013251755619881423
Energy: 0.22541845978211425
Energy: 0.22553146365301738
Energy: 0.22539950768980738
Energy: 0.2253788528018374
Energy: 0.01335091322595072

minimum gb energy = 0.013185823183010748 eV
minimum distance =  2.47890761740243 Angstroms
sigma value = 1


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

Energy: 1.9311411616369787
Energy: 1.2319381570650567
Energy: 1.2370219295461746
Energy: 1.2559176650133794
Energy: 1.2359489822179974
Energy: 1.2322161543798358
Energy: 1.260937584314934
Energy: 1.2606408672074436
Energy: 1.2311437373378824
Energy: 1.2032073767732943
Energy: 1.231492261912656
Energy: 1.2333157479590307
Energy: 1.2036239103495727
Energy: 1.2324238634271774
Energy: 1.26098875960439
Energy: 1.24666216354269
Energy: 1.2354150424468688
Energy: 1.2355599497038177
Energy: 1.2471725262921274
Energy: 1.2306210912302515
Energy: 1.2519543304423266
Energy: 1.3089999224843996
Energy: 1.2301021213227754
Energy: 1.2324449160084643
Energy: 1.27141454466257
Energy: 1.2304637224947261
Energy: 1.2317489614115822
Energy: 1.2727387010522282
Energy: 1.2314678012786673
Energy: 1.2312155550145452
Energy: 1.24958033730577
Energy: 1.2494335785857997
Energy: 1.2508620632480874
Energy: 1.2304007035146842
Energy: 1.250268167311221
Energy: 1.24960107095853
Energy: 1.2486913250126899
Energy: 1.2494253679884157
Energy: 1.2506871263197137
Energy: 1.3095742914553965
Energy: 1.2501413632758218
Energy: 1.249596779306763
Energy: 1.20300205922946
Energy: 1.2033587872638682
Energy: 1.2353221431422365
Energy: 1.208371561043623
Energy: 1.2503522350090241
Energy: 1.2030321972894231
Energy: 1.2000082608183824
Energy: 1.2493415664491883
Energy: 1.250223597147103
Energy: 1.2544581454481338
Energy: 1.2498809020902075
Energy: 1.2623264827320493
Energy: 1.2044892297663663
Energy: 1.249418797022596
Energy: 1.250341495321335
Energy: 1.232700798674898
Energy: 1.2501944164691872
Energy: 1.251895052491918
Energy: 1.2037672944440638
Energy: 1.2707357501578849
Energy: 1.2309315751783332
Energy: 1.204338171290001
Energy: 1.2305914608658624
Energy: 1.2035256143754414
Energy: 1.2465452773361032
Energy: 1.2312691936028706
Energy: 1.232508802022557
Energy: 1.296280202986016
Energy: 1.2310580937568842
Energy: 1.2309920395590654
Energy: 1.2698425306100947
Energy: 1.231282825663304
Energy: 1.2324793579950029
Energy: 1.2968136150394236
Energy: 1.2308950672628667
Energy: 1.2308722435633284
Energy: 1.2030820301113223
Energy: 1.2310620569867483
Energy: 1.2308187412317817
Energy: 1.2067394762538628
Energy: 1.2308137290657617
Energy: 1.2335228153339117
Energy: 1.245547191912575
Energy: 1.2300488495124628
Energy: 1.2308589051208025
Energy: 1.2330015610993417
Energy: 1.2305201832405666
Energy: 1.2520194476314093
Energy: 1.2506530974962462
Energy: 1.2356659576499531
Energy: 1.2320953888042345
Energy: 1.2515007830670448
Energy: 1.2320123121176956
Energy: 1.2364504860936987
Energy: 1.2083664558276257
Energy: 1.231087659562414
Energy: 1.2156008760201207
Energy: 1.2038489850870342
Energy: 1.2494078618918423
Energy: 1.2323465847734185
Energy: 1.2545502668992061
Energy: 1.2496502551841344
Energy: 1.2490448496387283
Energy: 1.2496573916994982
Energy: 1.2491410004693748
Energy: 1.2501537351049583
Energy: 1.2569304159230712
Energy: 1.2501173486379564
Energy: 1.2636570283741828
Energy: 1.2497923948392005
Energy: 1.2499329448009144
Energy: 1.24954863404892
Energy: 1.2718037597523133
Energy: 1.250761940064559
Energy: 1.2147702929268356
Energy: 1.2583994455304595
Energy: 1.2497472238958471
Energy: 1.2319597918415028
Energy: 1.2551262451866363
Energy: 1.249967066678023
Energy: 1.251931755356292
Energy: 1.2518886613011453
Energy: 1.2492467692725802
Energy: 1.2497107554703675
Energy: 1.2026682784581917
Energy: 1.249932360152686
Energy: 1.2489714622956176
Energy: 1.2021850971172483
Energy: 1.2493812104340458
Energy: 1.2374473027773698
Energy: 1.329071880870513
Energy: 1.2604717079469592
Energy: 1.231718612762362
Energy: 1.255411237579797
Energy: 1.2315169252153317
Energy: 1.2334446644527208

minimum gb energy = 1.2000082608183824 eV
minimum distance =  2.24749325536334 Angstroms
sigma value = 33


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

Energy: 2.5512577878842833
Energy: 1.303629111733738
Energy: 1.294370844736101
Energy: 1.2854986377072612
Energy: 1.294097435503063
Energy: 1.302884229297696
Energy: 1.4449319914738104
Energy: 1.3040359402398187
Energy: 1.2870649730632298
Energy: 1.2907503217165857
Energy: 1.2852305318687631
Energy: 1.3060722015205197
Energy: 1.3801739405550564
Energy: 1.3041358058515828
Energy: 1.342048691359982
Energy: 1.2708445759522975
Energy: 1.3043093942205934
Energy: 1.304588900283323
Energy: 1.3547759509452009
Energy: 1.3035408420585441
Energy: 1.3027733912845065
Energy: 1.261798182061563
Energy: 1.3026460592335998
Energy: 1.303633896714811
Energy: 1.3847083148144226
Energy: 1.3031698633120807
Energy: 1.2800630537992668
Energy: 1.3834697721594722
Energy: 1.317595880516747
Energy: 1.3037503838556703
Energy: 1.282961792964512
Energy: 1.313320274131236
Energy: 1.3136399834684818
Energy: 1.2817101233906272
Energy: 1.3146782885733108
Energy: 1.3132110923729856
Energy: 1.2824282101943285
Energy: 1.3139992295946614
Energy: 1.3138747658957621
Energy: 1.311018552783842
Energy: 1.313820714901777
Energy: 1.313318941757181
Energy: 1.3075497466492068
Energy: 1.2819759349404953
Energy: 1.2825146110338304
Energy: 1.2809181565726633
Energy: 1.3142153883693874
Energy: 1.2814547811082506
Energy: 1.2903052395357923
Energy: 1.3042533933655112
Energy: 1.3051676486190358
Energy: 1.3564746913214158
Energy: 1.3036885647793106
Energy: 1.3171162390327806
Energy: 1.2529773933957855
Energy: 1.302668114947861
Energy: 1.3036544155825152
Energy: 1.3311677196943914
Energy: 1.3027184110615044
Energy: 1.2994997443616454
Energy: 1.351044606131859
Energy: 1.2815208582097402
Energy: 1.3040693382000856
Energy: 1.367259910212409
Energy: 1.3026978580925104
Energy: 1.2801448800935458
Energy: 1.280210382987994
Energy: 1.2804554423826406
Energy: 1.2812403469579396
Energy: 1.268816861729642
Energy: 1.2810255470379661
Energy: 1.2804620101154915
Energy: 1.2707208440327429
Energy: 1.280334068075746
Energy: 1.2816095755109724
Energy: 1.2610320887422528
Energy: 1.2809294500943926
Energy: 1.2803590845423227
Energy: 1.281265154272399
Energy: 1.2526865965211162
Energy: 1.303964462894398
Energy: 1.3781027505321184
Energy: 1.3030084725824151
Energy: 1.281283375657415
Energy: 1.2792062887624844
Energy: 1.3076239438148223
Energy: 1.3086171179820734
Energy: 1.3312408336932204
Energy: 1.3085603693628904
Energy: 1.3075655617581856
Energy: 1.2732740262744158
Energy: 1.3083043189024115
Energy: 1.3089426245055118
Energy: 1.3567070952419404
Energy: 1.3093150911704392
Energy: 1.3518120335364938
Energy: 1.2812938086390586
Energy: 1.253044957922544
Energy: 1.3041644074524839
Energy: 1.3069037600927893
Energy: 1.3087626569920137
Energy: 1.2528146041487316
Energy: 1.255023710176442
Energy: 1.3075126489723115
Energy: 1.3079588699541878
Energy: 1.398761486053122
Energy: 1.3081055108240913
Energy: 1.3100367713720114
Energy: 1.2527530060549232
Energy: 1.3078211116681508
Energy: 1.3084573910184885
Energy: 1.3026787068130041
Energy: 1.308544572510034
Energy: 1.3076252064849723
Energy: 1.281644451445026
Energy: 1.2805575392381199
Energy: 1.3044218895412372
Energy: 1.384454357992
Energy: 1.3026431944983363
Energy: 1.2814564917690554
Energy: 1.2727300379300526
Energy: 1.2813169209053876
Energy: 1.296698900786155
Energy: 1.2507095794601681
Energy: 1.280848124878658
Energy: 1.2814373827388077
Energy: 1.280832776959614
Energy: 1.2825018406025548
Energy: 1.3063418620753084
Energy: 1.278133569565057
Energy: 1.284023685317884
Energy: 1.2827555389227663
Energy: 1.3824801876235573
Energy: 1.3444603872750234
Energy: 1.3075340446527437
Energy: 1.3778753599058082
Energy: 1.306757496841363
Energy: 1.308734175947806
Energy: 1.2521884563986454
Energy: 1.3045655924673847
Energy: 1.3070709365613065
Energy: 1.326738244318006
Energy: 1.3052693273870655
Energy: 1.3099559603018034
Energy: 1.3545783483754679
Energy: 1.3195204456134506
Energy: 1.304838187542737
Energy: 1.3268224198102079
Energy: 1.3041583250049826
Energy: 1.3102661636135942
Energy: 1.2806492038622457
Energy: 1.3133743911317015
Energy: 1.3131794497029141
Energy: 1.2807341903583525
Energy: 1.313628742258381
Energy: 1.2839820191392026
Energy: 1.2931438326802587
Energy: 1.313733996290548
Energy: 1.313612874759115
Energy: 1.316562803760139
Energy: 1.31357748158121
Energy: 1.3132599779378542
Energy: 1.281391708693665
Energy: 1.3138370115733324
Energy: 1.287393831616763
Energy: 1.283559572492937
Energy: 1.314686081936006
Energy: 1.2807195573516696
Energy: 1.3568516437774254
Energy: 1.306904045805491
Energy: 1.320762512379516
Energy: 1.280016620293052
Energy: 1.3069602486475975
Energy: 1.3065343740282895
Energy: 1.355897727841267
Energy: 1.3058831498793435
Energy: 1.3002104325460164
Energy: 1.312861026252725
Energy: 1.304266732420679
Energy: 1.305680105331419
Energy: 1.3678587784271328
Energy: 1.3038078957592223
Energy: 1.3058816364602894
Energy: 1.3503875173669189
Energy: 1.3070082561706533
Energy: 1.3054587239625925
Energy: 1.3542333510695093
Energy: 1.2829565266800413
Energy: 1.2815605419368472
Energy: 1.2822890787903483
Energy: 1.2813356228003412
Energy: 1.3171531387758286
Energy: 1.2629448180700558
Energy: 1.2804728164757888
Energy: 1.2801854816468057
Energy: 1.2716276047805157
Energy: 1.2802564445539613
Energy: 1.3026763448183187
Energy: 1.3854428934761343
Energy: 1.3028539265723829
Energy: 1.2800977704771177
Energy: 1.281843884993544
Energy: 1.280894519491127
Energy: 1.303459070621555
Energy: 1.3842088228894212
Energy: 1.3080954611254387
Energy: 1.3074852392816259
Energy: 1.2791370424330137
Energy: 1.3075657685759852
Energy: 1.307700979087981
Energy: 1.3559731927827545
Energy: 1.308103864037181
Energy: 1.3076828181625624
Energy: 1.2724802859819189
Energy: 1.3075921536983908
Energy: 1.342002066082947
Energy: 1.3782112516455403
Energy: 1.3033296280888111
Energy: 1.2527763080298402
Energy: 1.2524406339629606
Energy: 1.2528582303705944
Energy: 1.3060923932162098
Energy: 1.3565844996975223
Energy: 1.3086199504852871
Energy: 1.3078216085629488
Energy: 1.2538820048062003
Energy: 1.3080412920198974
Energy: 1.3082568558022214
Energy: 1.384095228835846
Energy: 1.3080477973008062
Energy: 1.3077187887846442
Energy: 1.2517284127259376
Energy: 1.307457283959549
Energy: 1.3077139632053054
Energy: 1.3855490175163847
Energy: 1.3025118096936428
Energy: 1.2805733179312726
Energy: 1.2815428267949442
Energy: 1.2806668464234947
Energy: 1.3031040390818494
Energy: 1.2778762379765114
Energy: 1.28099853124938
Energy: 1.2805644306164705
Energy: 1.2710687672278056
Energy: 1.2806527349750092
Energy: 1.3011325279694363

minimum gb energy = 1.2507095794601681 eV
minimum distance =  2.24156050655015 Angstroms
sigma value = 51


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

Energy: 2.363160131500304
Energy: 1.3181119705261302
Energy: 1.3283375706338314
Energy: 1.3088870235867378
Energy: 1.3277382986696402
Energy: 1.3182346918138432
Energy: 1.2482140657530822
Energy: 1.3325114489974128
Energy: 1.3122296054289544
Energy: 1.3097586893969118
Energy: 1.3274605093808696
Energy: 1.3125169969678816
Energy: 1.4712145791849163
Energy: 1.3092181854723945
Energy: 1.3332237600344976
Energy: 1.3917292768855867
Energy: 1.3090152340197652
Energy: 1.3094302215664058
Energy: 1.3909944322758834
Energy: 1.3090766299686822
Energy: 1.3075008781726356
Energy: 1.4103400678573632
Energy: 1.308146067904317
Energy: 1.309398245533477
Energy: 1.4046863110524352
Energy: 1.310324360517713
Energy: 1.312135240309976
Energy: 1.3140983202272423
Energy: 1.3270226257250184
Energy: 1.3132931919074353
Energy: 1.416737154669448
Energy: 1.329203988966007
Energy: 1.3095862336957234
Energy: 1.308474127075107
Energy: 1.3287805531358263
Energy: 1.3287249273179418
Energy: 1.4035030806108553
Energy: 1.3291530148291077
Energy: 1.3291676498855787
Energy: 1.523071091734926
Energy: 1.3295050760969407
Energy: 1.3289354980283854
Energy: 1.4212067586324733
Energy: 1.3166796528569198
Energy: 1.3098409491590806
Energy: 1.309144786707215
Energy: 1.3292253745336853
Energy: 1.3162467824900235
Energy: 1.2484660248122768
Energy: 1.3115267828563977
Energy: 1.3098699607243651
Energy: 1.3916269497843055
Energy: 1.3096269476487794
Energy: 1.3557160383542795
Energy: 1.248355925098799
Energy: 1.308858959680439
Energy: 1.3099481754737006
Energy: 1.309738085197871
Energy: 1.3091831087910832
Energy: 1.3121535608013668
Energy: 1.3939175928615564
Energy: 1.3117636331769458
Energy: 1.3122858414520948
Energy: 1.3097439080760476
Energy: 1.310418231706639
Energy: 1.3081544590747596
Energy: 1.4033945454111139
Energy: 1.3080240725424541
Energy: 1.307704172470245
Energy: 1.4098456478369705
Energy: 1.3075862134242975
Energy: 1.3080267004151964
Energy: 1.3863773020961119
Energy: 1.3082828342483528
Energy: 1.3082844680869763
Energy: 1.3088354958997104
Energy: 1.3075005766126242
Energy: 1.308196068118701
Energy: 1.4040902503322499
Energy: 1.324903970259235
Energy: 1.3109478598540145
Energy: 1.310899522679779
Energy: 1.3103712935798133
Energy: 1.307125073203289
Energy: 1.4154944874451272
Energy: 1.3276917626434037
Energy: 1.3276190590558299
Energy: 1.3162288925132268
Energy: 1.327482860817536
Energy: 1.3275095326301412
Energy: 1.4036028976882324
Energy: 1.3275596901654432
Energy: 1.3281045676758048
Energy: 1.5259249157798387
Energy: 1.327810406922891
Energy: 1.3079225960332674
Energy: 1.3912103610631559
Energy: 1.3107702235212022
Energy: 1.3139587861309097
Energy: 1.3094025135504463
Energy: 1.3259380428687415
Energy: 1.3266372976603544
Energy: 1.2489650810151491
Energy: 1.308381601739466
Energy: 1.308649192069813
Energy: 1.387331221411999
Energy: 1.308918162740033
Energy: 1.3122921074053036

minimum gb energy = 1.2482140657530822 eV
minimum distance =  2.24159193203621 Angstroms
sigma value = 19


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

Energy: 2.1549925910175785
Energy: 1.3945261967858558
Energy: 1.3395272845969561
Energy: 1.3400829074963558
Energy: 1.3779810368615892
Energy: 1.3946917559150807
Energy: 1.2838647336516205
Energy: 1.3859289783297193
Energy: 1.3402697220996906
Energy: 1.3191513945361977
Energy: 1.3395630314447755
Energy: 1.3858893949761566
Energy: 1.3516443411451937
Energy: 1.3845761141557444
Energy: 1.3834844333365837
Energy: 1.316709577336542
Energy: 1.3840564229169487
Energy: 1.383718516252392
Energy: 1.5562396702743762
Energy: 1.385791697821054
Energy: 1.384186576619027
Energy: 1.404640081676878
Energy: 1.3847919978009793
Energy: 1.3863596704417138
Energy: 1.3515138310669228
Energy: 1.401272510274311
Energy: 1.3688637770725398
Energy: 1.318661217823425
Energy: 1.4038894871242071
Energy: 1.3880812608990232
Energy: 1.4014854374281391
Energy: 1.389101809087478
Energy: 1.36856175952107
Energy: 1.318061591474888
Energy: 1.3869855414210486
Energy: 1.3839850353207568
Energy: 1.3512571092948722
Energy: 1.400017706520002
Energy: 1.3878376203810343
Energy: 1.3864750553638356
Energy: 1.400309130114019
Energy: 1.3836381662106163
Energy: 1.3516912955246685
Energy: 1.3868631501438538
Energy: 1.3682450500981587
Energy: 1.3170664970258934
Energy: 1.3877675223233046
Energy: 1.3849986123714566
Energy: 1.31070277809994
Energy: 1.3874180910967646
Energy: 1.3389189943893334
Energy: 1.317533126727139
Energy: 1.339223403839884
Energy: 1.3839827647539606
Energy: 1.3106284746337842
Energy: 1.3390464430300955
Energy: 1.3398036101521211
Energy: 1.341096560617076
Energy: 1.339669650058364
Energy: 1.3853149418616444
Energy: 1.3622441818727253
Energy: 1.401035081297399
Energy: 1.373524015890929
Energy: 1.3579061544394428
Energy: 1.3940753363999223
Energy: 1.4101049110204722
Energy: 1.350878657017529
Energy: 1.3883088259735792
Energy: 1.3890090223616407
Energy: 1.406180294720918
Energy: 1.388719291567929
Energy: 1.384465012423833
Energy: 1.6568149064970232
Energy: 1.3893086682908964
Energy: 1.38909811317946
Energy: 1.4061182935997056
Energy: 1.3889804458098025
Energy: 1.3889635589151401
Energy: 1.3507790214995286
Energy: 1.38773762536224
Energy: 1.3848350729946581
Energy: 1.3523635306891137
Energy: 1.387184592421283
Energy: 1.352125454657815
Energy: 1.3593282437313
Energy: 1.3394115980089187
Energy: 1.405143673754876
Energy: 1.283132416603459
Energy: 1.3750418962153748
Energy: 1.3392805498662506
Energy: 1.3170889865649278
Energy: 1.339781638072538
Energy: 1.3664052100763087
Energy: 1.3373910572422019
Energy: 1.3393651878518442
Energy: 1.3395732213404696
Energy: 1.3121569832615911
Energy: 1.3396731715660573
Energy: 1.401322958282738
Energy: 1.359651823084306
Energy: 1.4010905703189038
Energy: 1.3748540793235628
Energy: 1.3462492655180205
Energy: 1.3837785313636544
Energy: 1.3852957597936078
Energy: 1.4051466616697594
Energy: 1.3841681302386069
Energy: 1.384007461372708
Energy: 1.3463900646852145
Energy: 1.383696408957579
Energy: 1.384076122435973
Energy: 1.4995926020978232
Energy: 1.383602866919614
Energy: 1.4040926784750412
Energy: 1.3069395392835614
Energy: 1.3864550922557226
Energy: 1.3843152421291895
Energy: 1.3529196860974841
Energy: 1.3853247106146584
Energy: 1.344983892475781
Energy: 1.3399580472047574
Energy: 1.3841496891156486
Energy: 1.3843162737684276
Energy: 1.5557033983969153
Energy: 1.384156784842804
Energy: 1.4041363619262144
Energy: 1.3400489392667412
Energy: 1.3843455503534168
Energy: 1.3858142533946094
Energy: 1.3839701775156061
Energy: 1.3857495968980145
Energy: 1.3829638593057814
Energy: 1.3071807720511532
Energy: 1.37048915749599
Energy: 1.384037527168327
Energy: 1.3633146202904607
Energy: 1.3840827008108216
Energy: 1.3396404108179536
Energy: 1.3172104102352
Energy: 1.3391358651400496
Energy: 1.3848606596876925
Energy: 1.3107777364742412
Energy: 1.3387336087678374
Energy: 1.3392568834353464
Energy: 1.357819009193406
Energy: 1.3389055628550355
Energy: 1.387594226200163
Energy: 1.3108202852163482
Energy: 1.3390278752356377
Energy: 1.3391073644899598
Energy: 1.349471755076398
Energy: 1.3691878604833354
Energy: 1.3882096535770112
Energy: 1.348813222763103
Energy: 1.3893703675412445
Energy: 1.369499859634451
Energy: 1.3484369225487673
Energy: 1.3885067578820052
Energy: 1.388793046329752
Energy: 1.4065212283867947
Energy: 1.388840583514167
Energy: 1.3882886914346155
Energy: 1.3507495053567034
Energy: 1.388146847017833
Energy: 1.3887635812490209
Energy: 1.387997805717958
Energy: 1.3884029841829626
Energy: 1.3849101177950354
Energy: 1.3489062198689892
Energy: 1.3839516526841404
Energy: 1.3705492630443439
Energy: 1.358113875029044
Energy: 1.3685020235531884
Energy: 1.409938566195324
Energy: 1.337258279326908
Energy: 1.3759192888077616
Energy: 1.3395985487449096
Energy: 1.3632567646193614
Energy: 1.3391682592686918
Energy: 1.3668872860258292

minimum gb energy = 1.283132416603459 eV
minimum distance =  2.2116161170494 Angstroms
sigma value = 27


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

Energy: 1.7294352946307414
Energy: 1.3236400297096167
Energy: 1.33490204507011
Energy: 1.1897504344865661
Energy: 1.3358761701398238
Energy: 1.3242749868153016
Energy: 1.176243356812748
Energy: 1.3206798514566422
Energy: 1.3061981002795788
Energy: 1.191603088668841
Energy: 1.3075115128946249
Energy: 1.3075383156424782
Energy: 1.216318075050875
Energy: 1.3062566847417616
Energy: 1.3062608447767354
Energy: 1.191912566390906
Energy: 1.3062994383118343
Energy: 1.30541634738326
Energy: 1.3702624656685907
Energy: 1.3087319750167192
Energy: 1.3074408212776087
Energy: 1.3105438158025429
Energy: 1.308043080330924
Energy: 1.3086683255134612
Energy: 1.1917541770885298
Energy: 1.3120676003188372
Energy: 1.3198519811379834
Energy: 1.1916042377341036
Energy: 1.3201461519079634
Energy: 1.3122627328232683
Energy: 1.1908033258373123
Energy: 1.3083977122221961
Energy: 1.3206958263882758
Energy: 1.1929774998783778
Energy: 1.3219520832379053
Energy: 1.3093658562522286
Energy: 1.1896505720060673
Energy: 1.3358722891761696
Energy: 1.3238908935543603
Energy: 1.731699542941098
Energy: 1.3351408895283636
Energy: 1.3352229866835472
Energy: 1.190685673091808
Energy: 1.3065846575696678
Energy: 1.3090511736586123
Energy: 1.191941167104527
Energy: 1.3215954696188768
Energy: 1.306171685553974
Energy: 1.1917938749812629
Energy: 1.3059865314131778
Energy: 1.3056320024772725
Energy: 1.1901634348775512
Energy: 1.3065396840986632
Energy: 1.319233473886893
Energy: 1.2035330090879315
Energy: 1.3077455154452784
Energy: 1.3085046239432714
Energy: 1.3101086794758543
Energy: 1.3084800699899681
Energy: 1.3070415823229729
Energy: 1.2177768807268656
Energy: 1.320209222200651
Energy: 1.3122043706909852
Energy: 1.190962916363598
Energy: 1.3120217278228172
Energy: 1.3203526289428462
Energy: 1.1957453633864132
Energy: 1.3205755729484214
Energy: 1.3083270859659155
Energy: 1.1916647266249036
Energy: 1.3083117667125381
Energy: 1.3203068430417417

minimum gb energy = 1.176243356812748 eV
minimum distance =  2.2634631952442 Angstroms
sigma value = 9


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

Energy: 1.254553432970033
Energy: 1.3824170522569217
Energy: 1.358768562728653
Energy: 1.329458682566671
Energy: 1.360699848320485
Energy: 1.4261130856036068
Energy: 1.3233496603726673
Energy: 1.4917202010246906
Energy: 1.3157157497344636
Energy: 1.3247869703861062
Energy: 1.3154866089834045
Energy: 1.3806178878003361
Energy: 1.3245297370348572
Energy: 1.4466978964638997
Energy: 1.4479796442132948
Energy: 1.356840476085952
Energy: 1.4483677829734594
Energy: 1.4282398434318242
Energy: 1.2539490021525121
Energy: 1.4462458315899271
Energy: 1.4464770385360177
Energy: 1.3578680301557338
Energy: 1.4465351588606001
Energy: 1.4482660779993732
Energy: 1.3577538940758553
Energy: 1.447643055383875
Energy: 1.446877600108629
Energy: 1.3244687568822893
Energy: 1.4479377801913609
Energy: 1.4482025803171985
Energy: 1.325088203175468
Energy: 1.3154512487116345
Energy: 1.4493633437961175
Energy: 1.34379015252783
Energy: 1.438767699999437
Energy: 1.315451109294356
Energy: 1.2939464634120939
Energy: 1.2910720094214414
Energy: 1.411679950548047
Energy: 1.4327531011693007
Energy: 1.2912548255405083
Energy: 1.3164405592177941
Energy: 1.2925140316542287
Energy: 1.3152106410449627
Energy: 1.4899814022643547
Energy: 1.3437904849374651
Energy: 1.4389639296352816
Energy: 1.3154930763648889
Energy: 1.3053701593085645
Energy: 1.4359613448161102
Energy: 1.4411360646609044
Energy: 1.3241737129795401
Energy: 1.4890810029748986
Energy: 1.428573888036904
Energy: 1.3035964895330112
Energy: 1.431299947437544
Energy: 1.427197743157125
Energy: 1.3230338712470162
Energy: 1.4268742322401977
Energy: 1.4320621779901308
Energy: 1.295556726521656
Energy: 1.427601524195184
Energy: 1.425692858277522
Energy: 1.323409870074685
Energy: 1.4260733747121594
Energy: 1.4495417992663997
Energy: 1.2917880648272566
Energy: 1.4706471207095417
Energy: 1.3894538477029175
Energy: 1.3643159963523572
Energy: 1.3892455739812017
Energy: 1.428434309052586
Energy: 1.3548266687161679
Energy: 1.4074851387976708
Energy: 1.406939330208054
Energy: 1.3413258441449247
Energy: 1.4093150828317556
Energy: 1.4444278866627147
Energy: 1.2915012930489442
Energy: 1.4826337330357844
Energy: 1.3908190441020516
Energy: 1.3433922144220458
Energy: 1.3887028450050116
Energy: 1.414348469681631
Energy: 1.296978405957463
Energy: 1.5283595372610232
Energy: 1.3891388953337462
Energy: 1.3428770233142424
Energy: 1.3905195366397525
Energy: 1.409212858177287
Energy: 1.385895319092593
Energy: 1.388986603109016
Energy: 1.3898217229668413
Energy: 1.342007281173431
Energy: 1.3900941236015751
Energy: 1.4048740119959546
Energy: 1.2540386627121334
Energy: 1.3885959183615655
Energy: 1.3889009720837384
Energy: 1.361774779845468
Energy: 1.3887936873930211
Energy: 1.432137006785881
Energy: 1.3316482041097255
Energy: 1.4275174640884267
Energy: 1.389124962130113
Energy: 1.3246200634262446
Energy: 1.4263280253166841
Energy: 1.4173855754742177
Energy: 1.3081253081339788
Energy: 1.4426747581575385
Energy: 1.4402199831685616
Energy: 1.3951069650535384
Energy: 1.4417046727715777
Energy: 1.4415492234506426
Energy: 1.3046414794176955
Energy: 1.4291749486331276
Energy: 1.4278180176941397
Energy: 1.3240242686088957
Energy: 1.426399777678094
Energy: 1.427495103182744
Energy: 1.2913535878334697
Energy: 1.3166242477121883
Energy: 1.4896728204272265
Energy: 1.363419271690932
Energy: 1.4893026397229627
Energy: 1.29134223298242
Energy: 1.2937150995149382
Energy: 1.3166446653284478
Energy: 1.364691824943745
Energy: 1.2503944932537185
Energy: 1.3155820933053402
Energy: 1.3168831674476122
Energy: 1.3202899867044797
Energy: 1.3154244325332753
Energy: 1.4185622988854998
Energy: 1.2502966545614895
Energy: 1.3147704770561754
Energy: 1.31518771135104
Energy: 1.3251778956352538
Energy: 1.4392075379931322
Energy: 1.4486498930481546
Energy: 1.363788849207604
Energy: 1.4493396618421184
Energy: 1.3172298784016763
Energy: 1.3576426047476593
Energy: 1.4483114155337433
Energy: 1.4477847113273077
Energy: 1.315748396563904
Energy: 1.448100345566956
Energy: 1.4480197000659718
Energy: 1.3246224385451275
Energy: 1.4478836374206774
Energy: 1.4459473859338798
Energy: 1.2538949178369811
Energy: 1.4467586484160282
Energy: 1.4484404939592785
Energy: 1.361063205714158
Energy: 1.4469014816345456
Energy: 1.3170641300838863
Energy: 1.3249190730546232
Energy: 1.3177874319307605
Energy: 1.4287224675420778
Energy: 1.3186691914737427
Energy: 1.3158520337754835
Energy: 1.3168689912825773
Energy: 1.3064252494242112
Energy: 1.316230563900643
Energy: 1.3881244175753225
Energy: 1.288523073160595
Energy: 1.3151556613282456
Energy: 1.3149591875302433
Energy: 1.2906606631899524
Energy: 1.3148041245951954
Energy: 1.3890287381250561
Energy: 1.3631549397043343
Energy: 1.4892170234275803
Energy: 1.2920128692421993
Energy: 1.2931156376311652
Energy: 1.4408964437541403
Energy: 1.3896746888015095
Energy: 1.3243653961555062
Energy: 1.4259142127130326
Energy: 1.4264511868601786
Energy: 1.305152438137886
Energy: 1.426120466074019
Energy: 1.4279773277693486
Energy: 1.3880172201752203
Energy: 1.4282981718008971
Energy: 1.4387929135214519
Energy: 1.2918947785811776
Energy: 1.4347367681051213
Energy: 1.4436289266719382
Energy: 1.324853341119377
Energy: 1.390496080584357
Energy: 1.427781133560855
Energy: 1.2969326941792714
Energy: 1.430155240744313
Energy: 1.3893440495649094
Energy: 1.343019693105017
Energy: 1.3900849315659922
Energy: 1.3894258667467587
Energy: 1.320788311051579
Energy: 1.3895600230515937
Energy: 1.388637314492036
Energy: 1.3410044603204399
Energy: 1.3888655181119
Energy: 1.3885259751314238
Energy: 1.320800269026172
Energy: 1.3886757860826655
Energy: 1.3886371103952644
Energy: 1.3392444563289372
Energy: 1.4323500801158828
Energy: 1.430897309053949
Energy: 1.3333214814765506
Energy: 1.5284418415897323
Energy: 1.3432138806527334
Energy: 1.4022938851795033
Energy: 1.3891389139318078
Energy: 1.4830672890638876
Energy: 1.2543092850443693
Energy: 1.3882035798100059
Energy: 1.3888292663711288
Energy: 1.341580667470736
Energy: 1.3903558471313797
Energy: 1.4058354332054983
Energy: 1.3209237945656709
Energy: 1.3901344395826583
Energy: 1.389308095311067
Energy: 1.3247591322553784
Energy: 1.3900167071461644
Energy: 1.4284805438759474
Energy: 1.2953828232096787
Energy: 1.4276476605012736
Energy: 1.3162815765881224
Energy: 1.3546308402058131
Energy: 1.4274741661494712
Energy: 1.4346204279099786
Energy: 1.2925186538766862
Energy: 1.432617583437586
Energy: 1.4264885332466943
Energy: 1.3246664843590503
Energy: 1.4258096231816733
Energy: 1.4259329199993187
Energy: 1.292516698952402
Energy: 1.4263971638767996
Energy: 1.4276060259924488
Energy: 1.364246326979053
Energy: 1.4888878364718787
Energy: 1.4294201066207544
Energy: 1.293557012034763
Energy: 1.4429326805275173
Energy: 1.3900492900672445
Energy: 1.250139938295938
Energy: 1.3161681846638524
Energy: 1.3150615966896673
Energy: 1.289946264923908
Energy: 1.3153747373481555
Energy: 1.4370028908830388

minimum gb energy = 1.250139938295938 eV
minimum distance =  2.23236760400045 Angstroms
sigma value = 57


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

Energy: 2.466591557242767
Energy: 1.3962038124500797
Energy: 1.192232512732056
Energy: 1.1372572220676824
Energy: 1.3338087326005326
Energy: 1.3967503100000773
Energy: 1.1271449545227243
Energy: 1.3889358824571978
Energy: 1.282295855000684
Energy: 1.1320350165361333
Energy: 1.2829206973341858
Energy: 1.378349821394793
Energy: 1.13400428377089
Energy: 1.3893348962556882
Energy: 1.3920503958079435
Energy: 1.1695129850581645
Energy: 1.3900564133052158
Energy: 1.2837771219809537
Energy: 1.1297620057733482
Energy: 1.3890984736445833
Energy: 1.3894032202909172
Energy: 1.1341071307658261
Energy: 1.389551639092144
Energy: 1.1293653989805916
Energy: 1.1291612964215618
Energy: 1.3900882135726598
Energy: 1.3889648314576684
Energy: 1.1348945728313382
Energy: 1.3902849272435605
Energy: 1.3221650119993542
Energy: 1.1312307719591994
Energy: 1.2820688024944018
Energy: 1.3898691020517582
Energy: 1.134583282159475
Energy: 1.2826947383953533
Energy: 1.280988144939196
Energy: 1.1700879976386538
Energy: 1.2979211107372142
Energy: 1.2996375977542076
Energy: 1.3151004647402387
Energy: 1.2999020839124158
Energy: 1.301237191708631
Energy: 1.134334908922037
Energy: 1.2822962799208761
Energy: 1.3901715048184868
Energy: 1.285914702227995
Energy: 1.2837102877612543
Energy: 1.2825143920612554
Energy: 1.1673374607336575
Energy: 1.393396841068914
Energy: 1.3890525078744242
Energy: 1.1361823576252894
Energy: 1.3907454639200452
Energy: 1.167446208522816
Energy: 1.1673839240800048
Energy: 1.2842620191959124
Energy: 1.3779079607090938
Energy: 1.12699263118913
Energy: 1.2839108063579696
Energy: 1.167946057521745
Energy: 1.1339805208834182
Energy: 1.2834616378109724
Energy: 1.3759769388426224
Energy: 1.126684435293415
Energy: 1.282670978814138
Energy: 1.1345652045281773
Energy: 1.1336784023771607
Energy: 1.3952357226344145
Energy: 1.3768619455913704
Energy: 1.133978071775952
Energy: 1.3951551142927308
Energy: 1.283778481866884
Energy: 1.1694754688713547
Energy: 1.3918788534272926
Energy: 1.3203358446514006
Energy: 1.2947987047706664
Energy: 1.3953932184304834
Energy: 1.3905277729694745
Energy: 1.1337040541999908
Energy: 1.395473538681191
Energy: 1.3895232111384064
Energy: 1.1287339798641525
Energy: 1.390462853026009
Energy: 1.3952834700355352
Energy: 1.1354844120981868
Energy: 1.3951317381631851
Energy: 1.2846142532766804
Energy: 1.1356137785849127
Energy: 1.2846789008135355
Energy: 1.3779928005167115
Energy: 1.1228779687002646
Energy: 1.2838400923061675
Energy: 1.2852510758276365
Energy: 1.1341570977603954
Energy: 1.2860128839387084
Energy: 1.3155780923504605
Energy: 1.1227164076184744
Energy: 1.2818450869406206
Energy: 1.2829417258699165
Energy: 1.1679160906730401
Energy: 1.2824843726398407
Energy: 1.377189814958527
Energy: 1.1335598313091424
Energy: 1.4007719150154485
Energy: 1.2990997568604772
Energy: 1.166282285117173
Energy: 1.396652965872354
Energy: 1.37652335409478
Energy: 1.1263111846838396
Energy: 1.376044304918704
Energy: 1.2826822486477618
Energy: 1.167792972618914
Energy: 1.2827882307828162
Energy: 1.3946344489294558

minimum gb energy = 1.1227164076184744 eV
minimum distance =  2.23680758485088 Angstroms
sigma value = 11


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

Energy: 1.466309619652968
Energy: 1.0618130312697036
Energy: 1.110118940764691
Energy: 1.1109226091606814
Energy: 1.2370336847511993
Energy: 1.0639652416278094
Energy: 1.0455386340984334
Energy: 1.3163002261833385
Energy: 1.1747772911432877
Energy: 1.0509844204998389
Energy: 1.1741376145181321
Energy: 1.3383592688278456
Energy: 1.0553891303665464
Energy: 1.3123186576204866
Energy: 1.3158084751894827
Energy: 1.0518044448365402
Energy: 1.3147984335398677
Energy: 1.3391072389705188
Energy: 1.044756034125549
Energy: 1.312039818688887
Energy: 1.3158000467187998
Energy: 1.0524659319295973
Energy: 1.3147441970001024
Energy: 1.3364587511525303
Energy: 1.0555927821301845
Energy: 1.3113681087330786
Energy: 1.3151513764204765
Energy: 1.0520574568545404
Energy: 1.3154826418292669
Energy: 1.3359037533258735
Energy: 1.0499177658436363
Energy: 1.3115658214041346
Energy: 1.3173009513143192
Energy: 1.0536146632729482
Energy: 1.3118888597065146
Energy: 1.315523062857881
Energy: 1.0526377351221459
Energy: 1.223886558242144
Energy: 1.3151485345637366
Energy: 1.2213578540191623
Energy: 1.3161012957233333
Energy: 1.2252305881605174
Energy: 1.04711464683749
Energy: 1.3118291173334418
Energy: 1.3103520694677602
Energy: 1.0697949695638356
Energy: 1.311308470897699
Energy: 1.3125895621561605
Energy: 1.0525725233075982
Energy: 1.174686886403295
Energy: 1.3362616528194744
Energy: 1.1752068860726157
Energy: 1.3166177162269401
Energy: 1.1778367507211167
Energy: 1.0529516703482835
Energy: 1.1760433153323362
Energy: 1.174760146275775
Energy: 1.221941288924941
Energy: 1.1753883065615054
Energy: 1.178096299452795
Energy: 1.0709554671918529
Energy: 1.1749082853019301
Energy: 1.1736245959786313
Energy: 1.047234784683585
Energy: 1.1736628283788395
Energy: 1.1764274974246411
Energy: 1.065801994255516
Energy: 1.176556010124594
Energy: 1.335672342704706
Energy: 1.2763096231751747
Energy: 1.2943624779321805
Energy: 1.0687211109316266
Energy: 1.0703904505421211
Energy: 1.1743798539665624
Energy: 1.3109333224962383
Energy: 1.06114133552906
Energy: 1.1742304290648589
Energy: 1.0707356274385238
Energy: 1.051144934427911
Energy: 1.2116995150163756
Energy: 1.2785235324336666
Energy: 1.340112459334588
Energy: 1.1771467744887572
Energy: 1.0514293981387661
Energy: 1.0511591446317332
Energy: 1.174577756678915
Energy: 1.3400004382500212
Energy: 1.1774686540193684
Energy: 1.3182154842248606
Energy: 1.174751414803998
Energy: 1.0550055472168987
Energy: 1.3165105547865674
Energy: 1.3114329645694176
Energy: 1.2241843883024248
Energy: 1.3112043275910863
Energy: 1.3154723412560494
Energy: 1.0529213313154435
Energy: 1.3162993078160963
Energy: 1.3402995411249607
Energy: 1.3359963808065958
Energy: 1.3152692717462253
Energy: 1.2260077176930162
Energy: 1.050950962595005
Energy: 1.314304961611758
Energy: 1.310490794568399
Energy: 1.0461061576511974
Energy: 1.312026115284226
Energy: 1.3172534231643391
Energy: 1.055143498642634
Energy: 1.312195066360774
Energy: 1.3154319905794636
Energy: 1.052944700314843
Energy: 1.3119188432314606
Energy: 1.3151034065933853
Energy: 1.0488996319511685
Energy: 1.316089012708194
Energy: 1.2238063848635856
Energy: 1.0514090919295878
Energy: 1.3153045098776084
Energy: 1.3125808537876995
Energy: 1.0523850618670743
Energy: 1.3109233234105906
Energy: 1.3146011694188384
Energy: 1.0477203029163282
Energy: 1.3139347132031103
Energy: 1.33839124842521
Energy: 1.0525722569657985
Energy: 1.317936656322824
Energy: 1.1747432088946739
Energy: 1.0522144339258586
Energy: 1.1741628441007619
Energy: 1.3374612482529857
Energy: 1.0482906614388863
Energy: 1.177188516084515
Energy: 1.17870564456642
Energy: 1.053332519464907
Energy: 1.1785521481966454
Energy: 1.3154656190135858
Energy: 1.0487663215673122
Energy: 1.1734038179953887
Energy: 1.174897000054925
Energy: 1.0711064437811808
Energy: 1.173539485792551
Energy: 1.3106205513991027
Energy: 1.0501703406820255
Energy: 1.3178705040129826
Energy: 1.068159066724716
Energy: 1.0665675900175053
Energy: 1.2921677652876749
Energy: 1.3357629558696302
Energy: 1.0451937660275326
Energy: 1.174728523424665
Energy: 1.1774964426265817
Energy: 1.0720501782685499
Energy: 1.174832991230524
Energy: 1.2746793716190028

minimum gb energy = 1.044756034125549 eV
minimum distance =  2.2115336489277 Angstroms
sigma value = 41


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

Energy: 1.8340188719655863
Energy: 0.9703443774510473
Energy: 1.029786916399389
Energy: 1.029615160500996
Energy: 0.9844743441825381
Energy: 1.2558227304933296
Energy: 1.1911385333670708
Energy: 1.2432735408036246
Energy: 1.0733612258520475
Energy: 1.0809460414618974
Energy: 1.0733448531455834
Energy: 1.2390933791802106
Energy: 0.9669945613630384
Energy: 1.200920865415825
Energy: 1.210016211213148
Energy: 1.0747639835587335
Energy: 1.200280855682773
Energy: 1.2432756848738677
Energy: 1.1909725026324152
Energy: 1.2013166707720653
Energy: 1.2111308634476636
Energy: 1.074777569372084
Energy: 1.1996187578525093
Energy: 1.2260641609547382
Energy: 1.1912865288869616
Energy: 1.1998010255178082
Energy: 1.2078975383772201
Energy: 1.0752907357288861
Energy: 1.2000071065451856
Energy: 1.2253197136962504
Energy: 0.9632420951436368
Energy: 1.2383454686796342
Energy: 1.200400311345342
Energy: 1.2429836866366013
Energy: 1.2404526099314523
Energy: 1.2357204092896756
Energy: 0.9639864919999479
Energy: 1.2408285655197469
Energy: 1.2381981908657498
Energy: 1.237373225749498
Energy: 1.2391955857448265
Energy: 1.2104849577933403
Energy: 1.1927672078456477
Energy: 1.2393515632688101
Energy: 1.2408216994496122
Energy: 1.198328849331022
Energy: 1.241943463137303
Energy: 1.2288472971918771
Energy: 0.9638452414983871
Energy: 1.2008599185742315
Energy: 1.239869352697674
Energy: 1.2281678669824496
Energy: 1.241535335409556
Energy: 1.1998070415819695
Energy: 1.0811109644285208
Energy: 1.1988241209313355
Energy: 1.20186381425259
Energy: 1.2009063802427449
Energy: 1.198711816871559
Energy: 1.135472061923807
Energy: 1.0820290296251711
Energy: 1.202478069561571
Energy: 1.1991709298040336
Energy: 1.0685980718787895
Energy: 1.1993608859091278
Energy: 1.1487294351407416
Energy: 1.082436893424646
Energy: 1.137151955935859
Energy: 1.2436983245649245
Energy: 1.22689279707172
Energy: 1.1985775845895648
Energy: 1.1391547672202558
Energy: 1.0786770313893972
Energy: 1.073018288918826
Energy: 1.1406667238544783
Energy: 1.2371075679851589
Energy: 1.0731403035449347
Energy: 1.073288644495493
Energy: 0.9832405466059986
Energy: 0.9840822711084195
Energy: 1.2018502384800658
Energy: 1.1994394448322958
Energy: 1.0725966860970895
Energy: 0.983369561210045
Energy: 0.9850570954134726
Energy: 1.073327837079685
Energy: 1.2429152219138508
Energy: 1.2265401532257663
Energy: 0.9837878989897089
Energy: 1.0735487618304316
Energy: 0.9845326693465198
Energy: 1.0739697345722767
Energy: 1.2006125243581325
Energy: 1.2271319157482723
Energy: 0.9841239352043805
Energy: 0.9844511620303948
Energy: 0.9830022247469147
Energy: 0.9846703812365579
Energy: 1.1625211560520798
Energy: 1.228535533876738
Energy: 1.0749256335672541
Energy: 0.9837994067884169
Energy: 1.0796854234082143
Energy: 1.0735715579414336
Energy: 1.1986614395700463
Energy: 1.244351186844617
Energy: 1.0728299812526656
Energy: 0.984323422852782
Energy: 1.0826934659470882
Energy: 1.1994929490889723
Energy: 1.245096378263413
Energy: 1.2276639007541024
Energy: 1.1988525310207523
Energy: 0.9831671433491076
Energy: 1.0813269980407743
Energy: 1.201940712508254
Energy: 1.1990563983792315
Energy: 1.2251669885717364
Energy: 1.1991576318080588
Energy: 1.2023665944261817
Energy: 1.0806337727926096
Energy: 1.1990032643673638
Energy: 1.2247118873397944
Energy: 1.2266682896179424
Energy: 1.198928532904502
Energy: 1.135161595500058
Energy: 1.1986363580088122
Energy: 1.2005085566711584
Energy: 1.2401934337494622
Energy: 1.2317813877763841
Energy: 1.2413638956552278
Energy: 1.199631674327364
Energy: 1.0798753673655495
Energy: 1.2379226834609953
Energy: 1.2408523589982958
Energy: 1.1993584564779411
Energy: 1.2422194134635822
Energy: 1.2359760970072424
Energy: 1.0801244358610655
Energy: 1.241020956078548
Energy: 1.2367238557392435
Energy: 1.246162151611565
Energy: 1.2392787022991243
Energy: 1.2407762498243688
Energy: 0.9671232223398293
Energy: 1.2378245337733418
Energy: 1.1994629374325034
Energy: 1.243952083994913
Energy: 1.2403039829542046
Energy: 1.2355949520795977
Energy: 1.077186027402184
Energy: 1.1994432781798032
Energy: 1.2001523573800648
Energy: 1.1874662217182856
Energy: 1.2000710691652048
Energy: 1.1990010576052044
Energy: 1.0773449412734435
Energy: 1.2015755392259686
Energy: 1.1377323779243254
Energy: 0.9837878519137493
Energy: 1.1997226618927175
Energy: 1.2010789883645503
Energy: 0.9643809307547083
Energy: 1.2008099548336344
Energy: 1.1515423391588455
Energy: 0.983654950838301
Energy: 1.200723343300167
Energy: 1.2428292395164837
Energy: 0.9618963943873542
Energy: 1.216204146824026
Energy: 1.0729105045130334
Energy: 1.0812934012851998
Energy: 1.0728570145680034
Energy: 1.2395138886153136
Energy: 1.1973679885104958
Energy: 0.9839578589685034
Energy: 0.9628001409817755
Energy: 0.9633494268736685
Energy: 0.9854834918590651
Energy: 1.067237567267307
Energy: 0.9615427782508053
Energy: 0.9852192622521622
Energy: 1.0726831306507392
Energy: 0.9833839905273827
Energy: 1.0724879690316187
Energy: 1.2386067566446508
Energy: 0.9674086347663127
Energy: 1.199508912256334
Energy: 0.9853545583178619
Energy: 0.9842784737444532
Energy: 1.1784630836257026
Energy: 1.2442489537703303
Energy: 1.1892230420159695
Energy: 1.0739234719855117
Energy: 0.9862099078258876
Energy: 0.9852245166438539
Energy: 1.0756058364099506
Energy: 1.1596142288373286

minimum gb energy = 0.9615427782508053 eV
minimum distance =  2.20434167717753 Angstroms
sigma value = 33


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

Energy: 1.745543230424882
Energy: 0.8516787969550106
Energy: 0.9232214733739088
Energy: 0.9250900336455842
Energy: 0.8648883550408377
Energy: 0.8756810257574368
Energy: 1.6144757854109804
Energy: 0.9918157949892346
Energy: 0.9333642764962038
Energy: 0.9365073334660001
Energy: 0.9325905322678
Energy: 1.0433137552208158
Energy: 1.637689829930041
Energy: 1.081406195445723
Energy: 1.0453852218083304
Energy: 0.8650800606040456
Energy: 0.9877262108134414
Energy: 1.0868949410868858
Energy: 1.624411111315644
Energy: 0.9905644633042752
Energy: 0.9829312836683383
Energy: 0.8656398844110509
Energy: 0.9867540877369244
Energy: 1.0738472596825472
Energy: 1.6247804857569719
Energy: 1.0438328671711468
Energy: 0.9870142111172212
Energy: 1.0605893151205728
Energy: 1.0445063747771592
Energy: 1.0725791807998797
Energy: 1.637445175956684
Energy: 1.0864358847448183
Energy: 0.993396219664568
Energy: 1.060735099033702
Energy: 1.0902556150752276
Energy: 1.0929182532644066
Energy: 1.4662042277956508
Energy: 1.084401532185229
Energy: 1.0850109835758108
Energy: 1.0870433354743274
Energy: 1.0844346210888463
Energy: 1.0890321539910728
Energy: 1.330731210079108
Energy: 1.087638236428111
Energy: 0.9815857951148378
Energy: 0.9919143035113839
Energy: 1.0604881505347974
Energy: 1.0908970350721376
Energy: 1.4656068560493023
Energy: 1.0990312709713208
Energy: 1.0864844890069
Energy: 1.0848109593707553
Energy: 1.0863335438971065
Energy: 1.0968275402833085
Energy: 1.4833460079024146
Energy: 1.094829276129181
Energy: 1.093887715697992
Energy: 1.0948590220515984
Energy: 1.0947967122893407
Energy: 1.0946327479464957
Energy: 1.3356489812296088
Energy: 1.0938137852648953
Energy: 1.0944965295262992
Energy: 1.0892187060727552
Energy: 1.0945573286491603
Energy: 1.0936307042887303
Energy: 1.3346818870507318
Energy: 1.0943743596302387
Energy: 1.0933407195623683
Energy: 1.0931595790435014
Energy: 1.094244709585026
Energy: 1.0955857044794626
Energy: 1.4905619652674595
Energy: 1.0855122204843022
Energy: 1.0853358275757472
Energy: 1.0972390852248606
Energy: 1.0847643231173478
Energy: 1.0856677127890277
Energy: 1.1792090971368423
Energy: 1.0891298806063696
Energy: 1.0865706526834251
Energy: 1.0940509197379145
Energy: 1.0872045610806376
Energy: 0.9936666930570848
Energy: 1.0196292765648722
Energy: 1.0848185579116878
Energy: 1.0953879432677294
Energy: 1.0943416499456897
Energy: 1.0844886579465696
Energy: 1.085208649388241
Energy: 1.1790038125484508
Energy: 1.0439284508258149
Energy: 1.0891223079633638
Energy: 1.0943620998682835
Energy: 0.9972924834129109
Energy: 1.0428052315269423
Energy: 0.9391979204511299
Energy: 0.9831290142722067
Energy: 1.0855812968762488
Energy: 1.085262451800547
Energy: 0.9873020805639869
Energy: 0.8644204470823018
Energy: 0.9379851066229672
Energy: 1.0445503172991075
Energy: 1.0426240426595212
Energy: 1.0985870600035375
Energy: 1.0427972818608198
Energy: 0.9870100012798768
Energy: 0.9388046898571968
Energy: 0.981214328327887
Energy: 1.0938011087545403
Energy: 1.0933284495665128
Energy: 0.9852785578831417
Energy: 0.8659973489953079
Energy: 0.9381448497368922
Energy: 0.933008526134089
Energy: 0.864205208433618
Energy: 1.104620991286511
Energy: 0.9332759700828135
Energy: 0.8663706639098757
Energy: 0.861767490141359
Energy: 0.8675274001974177
Energy: 0.9857813010290313
Energy: 1.0868396166121301
Energy: 0.8653414478952204
Energy: 0.8635754737306335
Energy: 0.8657857796918129
Energy: 0.9331655374860229
Energy: 1.0818609070347531
Energy: 1.0932874381561974
Energy: 0.8633373242759825
Energy: 0.933528668756346
Energy: 0.8660868565785329
Energy: 0.9328835103998538
Energy: 0.991379289277336
Energy: 1.095285343769578
Energy: 1.0444044834137156
Energy: 0.8664416021773403
Energy: 0.8628031728989409
Energy: 0.8637018708312278
Energy: 1.077151780155008
Energy: 1.0748737309408762
Energy: 0.8660193809961826
Energy: 0.8638140352541931
Energy: 0.9353815807648033
Energy: 0.9333715331832799
Energy: 0.9923793353388746
Energy: 1.0954320978078593
Energy: 0.9329689367742924
Energy: 0.9368386875855632
Energy: 0.9374994012686689
Energy: 0.985619108221525
Energy: 1.081703025929421
Energy: 1.093541408662143
Energy: 0.9893225797676989
Energy: 0.8656179462382518
Energy: 0.9372527862533654
Energy: 1.0456739780896709
Energy: 1.0436414046486775
Energy: 1.1000826974761422
Energy: 1.043992784085266
Energy: 0.9833141944384487
Energy: 1.1802488707553158
Energy: 0.9856899461512098
Energy: 1.0750921668841462
Energy: 1.0957305713338006
Energy: 0.9879466637006198
Energy: 0.9829281453273728
Energy: 1.1808128225562495
Energy: 0.9910442288901228
Energy: 1.0875119144601508
Energy: 1.093391041687861
Energy: 1.0881823339945995
Energy: 0.9910058509304792
Energy: 1.1789791767046998
Energy: 1.0910636556802833
Energy: 1.0866987996999604
Energy: 1.0956604702252444
Energy: 1.0911118913897981
Energy: 1.0844929288350913
Energy: 1.1788018772014757
Energy: 1.0906069859028722
Energy: 1.091465552098125
Energy: 1.091429952867534
Energy: 1.088346314715799
Energy: 0.990186118982454
Energy: 1.4194128298213289
Energy: 1.0845415149733781
Energy: 1.097946736763075
Energy: 1.0965262346874458
Energy: 1.085063305142614
Energy: 1.084673329510316
Energy: 1.4766183983075787
Energy: 1.0941283621642082
Energy: 1.0936462599041792
Energy: 1.094285909014952
Energy: 1.0941183201159919
Energy: 1.0937604237893501
Energy: 1.4751308721257022
Energy: 1.0939987378719087
Energy: 1.093801602711585
Energy: 1.0765590051993694
Energy: 1.094475169755107
Energy: 1.0939684546580783
Energy: 1.4210288121879302
Energy: 1.0942164335657991
Energy: 1.0938378675511677
Energy: 1.0733204999052355
Energy: 1.0947170621098405
Energy: 1.0937256885495605
Energy: 1.4654021305745348
Energy: 1.0869097904998173
Energy: 1.0852715545809097
Energy: 1.0851446645294187
Energy: 1.0849894441129861
Energy: 1.099026267102823
Energy: 1.4810130869385911
Energy: 1.0880066200796412
Energy: 0.9934000239379864
Energy: 0.9914813190646122
Energy: 1.0921252630802036
Energy: 1.0938859967163619
Energy: 1.4656173376588104
Energy: 1.0895356984952647
Energy: 1.091035683663966
Energy: 1.0756665507214955
Energy: 1.0904756252975722
Energy: 1.099807268176343
Energy: 1.4648616655363866
Energy: 1.0879607985697923
Energy: 0.9906965977408687
Energy: 1.0602194861150676
Energy: 0.9910016692770515
Energy: 1.0867423678912234
Energy: 1.4732430866469945
Energy: 1.0444602637517026
Energy: 0.9845970414700392
Energy: 0.9387373494268394
Energy: 0.9857325281110855
Energy: 1.0846886986219164
Energy: 1.6211524078727737
Energy: 1.0433773930038965
Energy: 0.9851340757419857
Energy: 0.8642023385986628
Energy: 1.0448768770154557
Energy: 1.0433443392199888
Energy: 1.6038513471705778
Energy: 1.0813092927450225
Energy: 0.9824841333583084
Energy: 0.8663962818037937
Energy: 0.9857864481035351
Energy: 1.08656462527146
Energy: 1.6274016738839785
Energy: 0.868126507364047
Energy: 0.933245910922515
Energy: 0.9372558710715425
Energy: 0.9330816271925589
Energy: 0.9908460153740417
Energy: 1.47648226167289
Energy: 0.8647842427514608
Energy: 0.8637887625892505
Energy: 0.8627968960272211
Energy: 0.8668592166485023
Energy: 1.0868536862652622
Energy: 1.4643079793234084
Energy: 1.0440918360784501
Energy: 0.9326858967693146
Energy: 0.8673544633729873
Energy: 0.9325257879861835
Energy: 1.0819147258957498
Energy: 1.4653372323571834
Energy: 1.0436461686211709
Energy: 0.9336117951385856
Energy: 0.8667153329858333
Energy: 0.9336225196360572
Energy: 1.0817485829021136
Energy: 1.624534078170939
Energy: 0.8656042855934153
Energy: 0.8634786523476711
Energy: 0.8620158784386356
Energy: 0.8668564987956001
Energy: 1.0763928183206137

minimum gb energy = 0.8516787969550106 eV
minimum distance =  2.24704750705215 Angstroms
sigma value = 67


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

Energy: 0.25494670726325
Energy: 0.25630105600381103
Energy: 0.4045100715867587
Energy: 0.405484753558397
Energy: 0.4928014093357209
Energy: 0.2552178242800346
Energy: 0.2566159521236616
Energy: 0.40149485183516154
Energy: 0.40242407266508434
Energy: 0.4032221784763661
Energy: 0.4009857768963252
Energy: 0.4018119891486083
Energy: 1.4004137670280177
Energy: 0.40512131924291694
Energy: 0.4056127448550266
Energy: 0.4093933514644556
Energy: 0.4045806480640834
Energy: 0.4049951740872948
Energy: 0.26053512398086126
Energy: 0.40772508757212017
Energy: 0.4070729803896043
Energy: 0.40604340371509556
Energy: 0.4065819080099184
Energy: 0.2598187194381706
Energy: 0.2614168344925798
Energy: 0.4087797183863036
Energy: 0.40923463667464255
Energy: 0.4098094447760671
Energy: 0.4079745927773461
Energy: 0.26123576384548974
Energy: 1.400899426953842
Energy: 0.4059931475343004
Energy: 0.40527839565027113
Energy: 0.4049407130905277
Energy: 0.40493586583156693
Energy: 0.40607756667927764
Energy: 0.25742340720183543
Energy: 0.4027435483125377
Energy: 0.4035225860354615
Energy: 0.40882904352612764
Energy: 0.40244257442310255
Energy: 0.4028472149633441

minimum gb energy = 0.25494670726325 eV
minimum distance =  2.43519095984543 Angstroms
sigma value = 3


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

Energy: 1.6474232140337195
Energy: 0.847098893781339
Energy: 0.840132467580805
Energy: 0.9743984739768428
Energy: 0.8406698610100319
Energy: 1.0686116423041945
Energy: 1.9238586647842406
Energy: 0.8410814611591
Energy: 0.8389689280414513
Energy: 0.8387608168089689
Energy: 0.8388692591012485
Energy: 0.9598014671039176
Energy: 1.294076003332541
Energy: 0.8392837478771316
Energy: 0.839122173946164
Energy: 0.8386918140136662
Energy: 0.8382546512032448
Energy: 0.841624208387903
Energy: 1.4567682989594852
Energy: 0.8397621465411698
Energy: 0.8394735499738937
Energy: 0.8404483611991242
Energy: 0.8396404504564368
Energy: 1.036784377700997
Energy: 1.4570112977211847
Energy: 0.8398746465682094
Energy: 0.8391303288621839
Energy: 0.8397200340459986
Energy: 0.8388702613038375
Energy: 1.0364253278716882
Energy: 1.293680470510716
Energy: 0.8402878849876158
Energy: 0.8389340976023217
Energy: 0.8410119738009075
Energy: 0.8415157676960544
Energy: 1.066615917872681
Energy: 1.7755746225596556
Energy: 0.9590578591025494
Energy: 0.8397511039774291
Energy: 0.8416552083978601
Energy: 0.9251958002191566
Energy: 0.9591693337390618
Energy: 1.2947795316592183
Energy: 0.9620462595085019
Energy: 1.0422890686842083
Energy: 0.9548147933443618
Energy: 1.0390658700622857
Energy: 1.0907726353593943
Energy: 1.3225472897116515
Energy: 0.8390455828792528
Energy: 0.8392619809878485
Energy: 0.8417582916810677
Energy: 0.8394022066186693
Energy: 0.9266483115689763
Energy: 1.2942916994435143
Energy: 1.0791937962193527
Energy: 1.0388919781703074
Energy: 0.8488116187492759
Energy: 1.0377005387408498
Energy: 1.0576091891271333
Energy: 1.3217482652109105
Energy: 1.0777733007138781
Energy: 1.0797935063626292
Energy: 1.058594401673559
Energy: 1.0779061621880826
Energy: 1.0777940935804298
Energy: 1.3216749372801768
Energy: 1.0768446189472711
Energy: 1.0776180157105566
Energy: 0.9636857321907043
Energy: 1.0781055732255727
Energy: 1.076462591332424
Energy: 1.294308445323723
Energy: 1.0770695981513725
Energy: 1.0792779560108852
Energy: 1.0169013140214778
Energy: 1.0796342010869455
Energy: 1.0959100299358737
Energy: 1.3219061487217967
Energy: 1.089471803737387
Energy: 1.0777564156673909
Energy: 1.0786901114860046
Energy: 1.0931233680381423
Energy: 1.0881524231109048
Energy: 1.2926588247879565
Energy: 1.0914064065880147
Energy: 1.089877083874344
Energy: 1.0771709718463893
Energy: 1.0903582991428373
Energy: 1.0901874768034854
Energy: 1.324097087608871
Energy: 1.0967048240138897
Energy: 1.090149284728516
Energy: 1.0703022501197401
Energy: 1.0958039727895195
Energy: 1.0910666745710504
Energy: 1.433625955455962
Energy: 1.084892469052839
Energy: 1.0885046589381986
Energy: 1.0877893782698738
Energy: 1.090634671691702
Energy: 1.078175772666117
Energy: 1.2931304101636678
Energy: 1.0797538713902026
Energy: 1.076935093151775
Energy: 1.0991803055797174
Energy: 1.0779980071732587
Energy: 1.0597967951969367
Energy: 1.2951515794129007
Energy: 1.0765531578453345
Energy: 1.0765877034084226
Energy: 1.0880345553870843
Energy: 1.0769274007808216
Energy: 1.079518907929477
Energy: 1.1673624887659886
Energy: 1.075857595436027
Energy: 1.076994045031788
Energy: 1.093885085091039
Energy: 1.0771061935517623
Energy: 0.9627637129727845
Energy: 1.163885664561696
Energy: 1.0375494116272697
Energy: 1.0578448852997497
Energy: 1.1125757577562416
Energy: 1.0380555885947023
Energy: 1.0379193085573082
Energy: 1.1631801417300647
Energy: 0.840548684835632
Energy: 0.8418087511589446
Energy: 1.0863408314807415
Energy: 0.8418303018205313
Energy: 0.8396886251425343
Energy: 0.9532460508135774
Energy: 1.038365254489228
Energy: 1.0649816793772298
Energy: 1.086899982992142
Energy: 1.039017914181238
Energy: 0.9665788757964204
Energy: 0.9337758642650817
Energy: 0.8402590299547243
Energy: 0.9588822245195578
Energy: 1.084877320622746
Energy: 0.9580230171088748
Energy: 0.8400511891957363
Energy: 0.9583812173649126
Energy: 0.8410016257203546
Energy: 0.8406601812761917
Energy: 1.0876604341283875
Energy: 0.8413554421259607
Energy: 0.8398071378812959
Energy: 0.9373616481500644
Energy: 0.839027731969153
Energy: 0.8466181361518292
Energy: 1.0632588492291524
Energy: 0.8396164666046981
Energy: 0.8388460750689902
Energy: 0.8390297022414756
Energy: 0.8394309212723724
Energy: 0.8443056666461551
Energy: 1.062134265086236
Energy: 0.8391835075090429
Energy: 0.8397132641742019
Energy: 0.8382196543824136
Energy: 0.8408839747929994
Energy: 0.8395136139609147
Energy: 1.0884560234480904
Energy: 0.8400581556468577
Energy: 0.8389875398763704
Energy: 0.8387277347930158
Energy: 0.8390202409903186
Energy: 0.9588628059911628
Energy: 1.0565845405462968
Energy: 0.8401978739691113
Energy: 0.838771402183687
Energy: 0.8428784943273077
Energy: 0.9230689745455197
Energy: 1.038834964022098
Energy: 1.0902941080142605
Energy: 0.9230063527947551
Energy: 0.9240825294260686
Energy: 0.9532934213786165
Energy: 0.8397603179951537
Energy: 0.8411685839334735
Energy: 1.0783807237611491
Energy: 0.8409714509527138
Energy: 0.8395328892033429
Energy: 0.9362171889708417
Energy: 0.8388939603907908
Energy: 0.8405119028255903
Energy: 1.112238669262175
Energy: 0.8408024608580301
Energy: 0.8394223567833137
Energy: 0.9418239924578901
Energy: 0.960725089849287
Energy: 0.9616560348722893
Energy: 1.085396373957803
Energy: 0.9613634298442704
Energy: 0.8486577365998602
Energy: 1.1645988078439462
Energy: 0.9605378769222181
Energy: 0.9612976098055378
Energy: 1.075538925994926
Energy: 0.960964714542091
Energy: 1.038388706160415
Energy: 1.1650443795828975
Energy: 0.960933224851458
Energy: 1.0384279864395245
Energy: 1.0910169062755957
Energy: 0.9597203071252303
Energy: 0.8401436332584369
Energy: 1.1641382105619869
Energy: 1.0394899389640295
Energy: 1.0768505661492185
Energy: 1.0566288501378769
Energy: 1.0770479640189436
Energy: 1.0460476593749182
Energy: 1.162330029327207
Energy: 1.0799344863666402
Energy: 1.079076446798326
Energy: 1.078161951499275
Energy: 1.0785634937949895
Energy: 1.0781730036418604
Energy: 1.2937632675516197
Energy: 1.0830389419734654
Energy: 1.0585725034292799
Energy: 1.0864533187447583
Energy: 1.0799165038660505
Energy: 1.0453983475729283
Energy: 1.2980657058075313
Energy: 1.0781709710319476
Energy: 1.0900802255909217
Energy: 1.0901815507282746
Energy: 1.0965341733270895
Energy: 1.0797888201011099
Energy: 1.2933683868553114
Energy: 1.0889545916017418
Energy: 1.0904173936977468
Energy: 0.9643610594894667
Energy: 1.092132539077659
Energy: 1.0880941336701657
Energy: 1.2884283251728519
Energy: 1.0893634337062685
Energy: 1.0882738175090976
Energy: 1.0926208547447764
Energy: 1.0892989477146526
Energy: 1.0882861528748458
Energy: 1.2892004125710206
Energy: 1.090293478855799
Energy: 1.0889488230967304
Energy: 1.0811474500134535
Energy: 1.090868064087855
Energy: 1.0886447078296302
Energy: 1.2981981265065101
Energy: 1.0920568292502346
Energy: 1.0778521571461663
Energy: 1.037957524968613
Energy: 1.0776971851091568
Energy: 1.091888510632591
Energy: 1.4847222205855781
Energy: 1.0786229423811085
Energy: 1.0807320599291699
Energy: 0.9658526198064492
Energy: 1.0812366873853796
Energy: 1.0579864253564635
Energy: 1.3770911286745027
Energy: 1.0790827482431362
Energy: 1.0844344644367034
Energy: 1.0601441600693908
Energy: 1.0847057137489586
Energy: 1.0888490009753715
Energy: 1.297457548905945
Energy: 1.0775921063543892
Energy: 1.0433409437081231
Energy: 0.8474478461484019
Energy: 1.0390691325423282
Energy: 1.0777839756671779
Energy: 1.2950519496582342
Energy: 0.8408687427009933
Energy: 0.8394409430770824
Energy: 0.926133970805116
Energy: 0.840392326162606
Energy: 1.0644051328227082
Energy: 1.351483951137891
Energy: 0.9612937598338205
Energy: 1.0389012753403084
Energy: 0.9408979445783259
Energy: 1.0373735220364841
Energy: 1.06313946697575
Energy: 1.3100882717912736
Energy: 0.9608361642886885
Energy: 0.9330371270080352
Energy: 0.9396834130462324
Energy: 0.9596030996361913
Energy: 1.0622885637922639
Energy: 1.2932378764789274
Energy: 0.8413721610507222
Energy: 0.8389539215720727
Energy: 0.8403171330820668
Energy: 0.8391431440752165
Energy: 0.8420648256451982
Energy: 1.9238544176882855
Energy: 0.9579187018150647
Energy: 0.8385135556560029
Energy: 0.8413261867504959
Energy: 0.8411607641535661
Energy: 0.9604456594307845

minimum gb energy = 0.8382196543824136 eV
minimum distance =  2.27071605387801 Angstroms
sigma value = 81


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

Energy: 1.6304083409227406
Energy: 0.9435061060807031
Energy: 0.9386983118753637
Energy: 1.088071031217098
Energy: 0.9404714832664711
Energy: 1.2265093245487013
Energy: 1.146031117915204
Energy: 0.9405702117105826
Energy: 0.934934260670778
Energy: 0.9351960442577417
Energy: 0.9353799305921238
Energy: 0.9394825431717699
Energy: 1.2474955009176603
Energy: 0.9359587549416502
Energy: 0.9360815198879522
Energy: 0.9425777864967372
Energy: 0.9363268295100843
Energy: 0.9369280890639666
Energy: 1.1712330668157986
Energy: 0.9379558495256572
Energy: 0.9363311779160839
Energy: 0.9389521481328208
Energy: 0.937092769845376
Energy: 0.9299191354775431
Energy: 1.164580695280204
Energy: 0.937608619097507
Energy: 0.9384066126495582
Energy: 0.9380898317419147
Energy: 0.9377334033436165
Energy: 0.9299670459177465
Energy: 1.2471729848687472
Energy: 0.935121195338185
Energy: 0.9347954318146966
Energy: 0.9348862013093703
Energy: 0.9348032172831872
Energy: 0.9347965277145478
Energy: 1.271285698631526
Energy: 0.9399143508763476
Energy: 0.9394605991473013
Energy: 0.9406392881293444
Energy: 0.9404149711255113
Energy: 0.9392617489041853
Energy: 1.3412662144731669
Energy: 0.9388952561486034
Energy: 1.2184052696775165
Energy: 1.078011715538107
Energy: 1.2174895630349807
Energy: 1.2150357373084533
Energy: 1.2710037926055056
Energy: 0.9381446149477245
Energy: 0.9395656309779757
Energy: 0.9285910856279952
Energy: 0.938788697783111
Energy: 0.9393115364641155
Energy: 1.248987581496769
Energy: 1.2344159611447458
Energy: 1.2037774500069012
Energy: 0.9422555429490486
Energy: 1.2034867576716521
Energy: 1.233500201084832
Energy: 1.3110116535700918
Energy: 1.2317269489702798
Energy: 0.9394125977543957
Energy: 1.2529540382165134
Energy: 1.2309837722048702
Energy: 1.1883948795000494
Energy: 1.2687362193491245
Energy: 1.2308356156675089
Energy: 1.2308976208785496
Energy: 0.9340595790915243
Energy: 1.2318063225506453
Energy: 1.192434698191995
Energy: 1.2466139821759628
Energy: 1.1970088530298484
Energy: 1.2193631867685601
Energy: 0.9349451885235945
Energy: 1.2340773823070332
Energy: 1.1677402762236622
Energy: 1.2477235505440567
Energy: 1.1696241761858772
Energy: 1.2419419019763742
Energy: 0.9244069411187373
Energy: 1.233514393952308
Energy: 1.169007261083366
Energy: 1.2471124683167802
Energy: 0.9399736666080172
Energy: 1.224263668360796
Energy: 1.2329490729182708
Energy: 0.935264886933641
Energy: 0.937663878375884
Energy: 1.147058520850607
Energy: 1.167329243857525
Energy: 1.2169964099415285
Energy: 0.9339347895553936
Energy: 1.1704123244779387
Energy: 1.1810006905679222
Energy: 1.146473375017228
Energy: 0.9378213905642243
Energy: 1.2224115665863873
Energy: 1.2192655836003896
Energy: 1.1668986278150726
Energy: 0.9382418225850461
Energy: 1.1596218193212569
Energy: 0.923245102824506
Energy: 0.9288612429582271
Energy: 1.224609033329391
Energy: 0.9234578895386065
Energy: 0.9226852253350666
Energy: 1.147136366503279
Energy: 0.9355265750018744
Energy: 0.9316441672538144
Energy: 1.2231244352695938
Energy: 0.9319439207518011
Energy: 0.9317581879214454
Energy: 1.0093639986358351
Energy: 0.9335669589911229
Energy: 0.9325871585963976
Energy: 1.2230026419779325
Energy: 0.9326971939618829
Energy: 0.9334033278190855
Energy: 1.0109765074268742
Energy: 0.9232932057181465
Energy: 0.9245894180933162
Energy: 1.2228790460033339
Energy: 0.921172646983816
Energy: 0.9218030689599986
Energy: 1.0058384554367539
Energy: 0.9368062510646592
Energy: 1.2236353711940127
Energy: 1.2237686820009614
Energy: 0.934783337625188
Energy: 0.9354945545488381
Energy: 1.010523028400188
Energy: 1.0236589454224532
Energy: 1.1457450481378593
Energy: 1.2157336215969063
Energy: 1.0236887887362593
Energy: 1.0244409259986986
Energy: 1.094617845782129
Energy: 0.9343252916039412
Energy: 1.2237476438929316
Energy: 0.9379487960338199
Energy: 0.9348748280829707
Energy: 0.9348707695611457
Energy: 1.0972346704818452
Energy: 1.0154144073100286
Energy: 0.9333622951171571
Energy: 1.2235748770230688
Energy: 0.9221242046646244
Energy: 0.922061530462813
Energy: 1.1053037232146161
Energy: 0.9216012350264158
Energy: 1.2000060247586517
Energy: 1.2144937869075698
Energy: 1.2001935784369788
Energy: 0.9221330492626213
Energy: 1.2509370296086095
Energy: 1.2001421077966403
Energy: 1.1994014442438699
Energy: 1.2142005998792946
Energy: 0.9217121369436237
Energy: 0.9215760187329933
Energy: 1.3070140259973166
Energy: 0.9220820547149703
Energy: 0.9338825636821788
Energy: 1.251690299375879
Energy: 1.0977845914170397
Energy: 0.9218978328561532
Energy: 1.2479827939534462
Energy: 0.9218403348373079
Energy: 1.2356600451161883
Energy: 1.224475068817094
Energy: 1.2380732009869042
Energy: 1.097431219507275
Energy: 1.2477166543583855
Energy: 1.2488411661789343
Energy: 1.224408045742248
Energy: 0.9337330784644922
Energy: 1.2385335453901236
Energy: 1.2377029622369025
Energy: 1.3066856271402996
Energy: 1.2405349140268027
Energy: 1.236700232097805
Energy: 1.2506381471821713
Energy: 1.2369841101223609
Energy: 0.9286124015236128
Energy: 1.27163739170363
Energy: 1.2356374052850194
Energy: 1.1054778467837536
Energy: 0.9401665247763212
Energy: 1.1551263220280068
Energy: 1.2358588359375657
Energy: 1.247048640910282
Energy: 1.1044034388157857
Energy: 0.9417649748748842
Energy: 0.9414059749364294
Energy: 0.9410951290825466
Energy: 1.2431305005838198
Energy: 1.2879055358188791
Energy: 1.1560474033649264
Energy: 1.204419408484986
Energy: 0.9411384800476718
Energy: 1.1049751000887027
Energy: 1.214177209736567
Energy: 1.3071810186636421
Energy: 0.9392708804322922
Energy: 0.9414264878784879
Energy: 1.085522671075901
Energy: 1.105594147885785
Energy: 1.2168017364432366
Energy: 1.2484775370823273
Energy: 0.9392310625809674
Energy: 0.9378891417319917
Energy: 0.9382881504467407
Energy: 0.9383019858966941
Energy: 0.9372769149464181
Energy: 1.271009207782639
Energy: 0.9394024981708838
Energy: 0.93508483446333
Energy: 0.935149152668378
Energy: 0.9365491928472724
Energy: 0.9388778471780769
Energy: 1.3149856172474914
Energy: 0.9407136462518421
Energy: 0.938359068997295
Energy: 0.9468852678556289
Energy: 0.9395841297479303
Energy: 1.232651835003836

minimum gb energy = 0.921172646983816 eV
minimum distance =  2.28438902661792 Angstroms
sigma value = 43


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

Energy: 1.5191010416043402
Energy: 1.0109096344372506
Energy: 0.9891541672560104
Energy: 0.9867680166769518
Energy: 0.9882460885564092
Energy: 0.9923612985854414
Energy: 1.357381568257006
Energy: 0.9920920521664648
Energy: 0.9852094751733602
Energy: 0.9852875604098081
Energy: 0.9853787925866907
Energy: 0.9897455172793366
Energy: 1.3662350879287462
Energy: 0.9857410730365074
Energy: 0.9872220855430103
Energy: 0.9883316659649759
Energy: 0.9871702758100586
Energy: 0.9871733623619482
Energy: 1.3627081948894204
Energy: 0.9880349172691905
Energy: 0.9888443794952191
Energy: 0.9894826104777801
Energy: 0.9887633046945944
Energy: 1.310560611446196
Energy: 1.3628219753894946
Energy: 0.9875302818236121
Energy: 0.987555222444996
Energy: 0.9878853371662958
Energy: 0.9887795455722683
Energy: 1.3115970690430037
Energy: 1.3657976154091125
Energy: 0.9856731854041824
Energy: 0.9855765250325902
Energy: 0.9851981690997355
Energy: 0.9861625580093362
Energy: 1.3670962064485324
Energy: 1.367924584786811
Energy: 1.309309247077866
Energy: 0.9909945890718734
Energy: 0.9901306978961347
Energy: 0.9918947763125415
Energy: 1.3118137187265029
Energy: 1.3636682730758642
Energy: 0.9896638990786191
Energy: 1.2165642550665536
Energy: 1.1741249001235088
Energy: 1.3274839065285198
Energy: 1.3114209409808268
Energy: 1.3670034880913267
Energy: 0.9874004048427534
Energy: 0.9911121134681147
Energy: 0.9818993786600493
Energy: 0.9905441316623653
Energy: 0.9891183465053891
Energy: 1.3667211140389015
Energy: 1.3092756560368852
Energy: 1.3114279925577066
Energy: 0.9884091914523541
Energy: 1.3097052631293156
Energy: 0.9894781855295534
Energy: 1.3672049328315194
Energy: 0.9896243620766
Energy: 1.309679301024955
Energy: 1.1987101722045663
Energy: 0.992432357387402
Energy: 0.9906996512998312
Energy: 1.3673870766798544
Energy: 1.3094565219093472
Energy: 1.3127562081107715
Energy: 0.9829761614517195
Energy: 1.3096423315833536
Energy: 0.992528889608605
Energy: 1.175122043356768
Energy: 0.9884864600149826
Energy: 0.9804219208328784
Energy: 0.9808398910678836
Energy: 1.3109983882933485
Energy: 0.9911185668091848
Energy: 1.1744110737541347
Energy: 0.9901648918848328
Energy: 0.9873594153748313
Energy: 1.0031383570252606
Energy: 0.9922091439155019
Energy: 0.9876175478720817
Energy: 1.1742596845500455
Energy: 0.9855045002979184
Energy: 1.3237328952992728
Energy: 0.9915028659600903
Energy: 0.9873050385196814
Energy: 0.9852823433345373
Energy: 1.0025413490285913
Energy: 0.9892843574301361
Energy: 0.9909022897613537
Energy: 0.9889606378893782
Energy: 0.9888274868150358
Energy: 1.0009885595783894
Energy: 0.9847186963074314
Energy: 0.9852786609055485
Energy: 0.9903409332642112
Energy: 0.9800684953647575
Energy: 0.9862348259154604
Energy: 0.9852857527231076
Energy: 0.985490580665511
Energy: 0.986128010895952
Energy: 0.9855889908971668
Energy: 1.3093401777300075
Energy: 0.9863161081913413
Energy: 0.9860974751984173
Energy: 0.9880002799367945
Energy: 0.9878097896341145
Energy: 0.9873945456358268
Energy: 0.9858578805527252
Energy: 0.9894296854316096
Energy: 0.9876654168294784
Energy: 1.1749410169507155
Energy: 0.9887186366953115
Energy: 0.9880744850596984
Energy: 1.31008345739131
Energy: 0.9882450144655945
Energy: 0.9881811910527978
Energy: 1.1749740176371228
Energy: 0.9856574646780921
Energy: 0.9854902292526592
Energy: 0.9863749528347178
Energy: 0.9863381394105989
Energy: 0.9857571331230023
Energy: 1.1726783570963042
Energy: 0.9908086313632025
Energy: 0.9895717444605191
Energy: 1.3408000411791892
Energy: 0.9919645140369668
Energy: 0.9889636065298677
Energy: 1.1736648746483695
Energy: 0.9895761559180268
Energy: 1.32524024335738
Energy: 0.9859641322823733
Energy: 1.3248311001921458
Energy: 0.9892130692484438
Energy: 1.3573313265846694
Energy: 0.9899064119171898
Energy: 0.9881139604170666
Energy: 1.1994687580183598
Energy: 1.3099475620121164
Energy: 0.9910913005846766
Energy: 1.3682678208898187
Energy: 1.3086301668686426
Energy: 1.3096227088923336
Energy: 0.9826179431390296
Energy: 1.313980094786555
Energy: 0.9883121920753434
Energy: 1.3654508280916107
Energy: 1.3132817755817185
Energy: 0.9911912283112159
Energy: 0.9897136921976122
Energy: 0.9884445071469119
Energy: 0.9890966003716744
Energy: 1.3570380660250114
Energy: 0.9929941185356133
Energy: 0.9913724674863602
Energy: 0.9899637506926623
Energy: 1.3093345166998611
Energy: 1.3124355011036035
Energy: 1.3593294497117234
Energy: 0.9899561806979805
Energy: 0.9899480821736776
Energy: 1.1751751659365248
Energy: 0.9883116935692976
Energy: 0.9798417306353836
Energy: 1.367031452105725
Energy: 0.9911556492397703
Energy: 0.9902764121191496
Energy: 0.988421669258663
Energy: 0.9902902951706207
Energy: 0.9881941206101332
Energy: 1.367042992840976
Energy: 0.9859043068578237
Energy: 0.9856581886973423
Energy: 0.9859270702511508
Energy: 0.9862388259742307
Energy: 0.9876853857849913
Energy: 1.3570786976837792
Energy: 0.9887186328681231
Energy: 0.9886033865560092
Energy: 1.003309575194323
Energy: 0.98994450998613
Energy: 0.9798956953232213

minimum gb energy = 0.9798417306353836 eV
minimum distance =  2.31009705629359 Angstroms
sigma value = 57


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

Energy: 1.8039258977723716
Energy: 1.440829344511341
Energy: 1.0613994871558694
Energy: 1.06426925171348
Energy: 1.0830076306893035
Energy: 1.4407393928015133
Energy: 1.0612948491057914
Energy: 1.0616258191400387
Energy: 1.0609652609730993
Energy: 1.0611800791356583
Energy: 1.0611514735270489
Energy: 1.2964789924341713
Energy: 1.0634038227825107
Energy: 1.2727414324171997
Energy: 1.063123586451641
Energy: 1.0680849183022576
Energy: 1.0625960892877002
Energy: 1.4543689174469079
Energy: 1.0577863403875456
Energy: 1.062700638799773
Energy: 1.0654871949803129
Energy: 1.0643033373730175
Energy: 1.0651328693078503
Energy: 1.0613795343337147
Energy: 1.0582075063935907
Energy: 1.0624014081016075
Energy: 1.0632120330390822
Energy: 1.06299912090416
Energy: 1.0649693817533987
Energy: 1.0588528828715846
Energy: 1.0792399179713787
Energy: 1.071047852081155
Energy: 1.0625242801853545
Energy: 1.0612587844516073
Energy: 1.0630236833344158
Energy: 1.316986454357451
Energy: 1.0608872530778453
Energy: 1.440202092865226
Energy: 1.0636329105804974
Energy: 1.0638632813585873
Energy: 1.0656638092826416
Energy: 1.2985693770237166
Energy: 1.0600060334354977
Energy: 1.4403565861758947
Energy: 1.3169280100668836
Energy: 1.063505182577276
Energy: 1.4547746165654403
Energy: 1.0641457419258056
Energy: 1.0628137909498785
Energy: 1.3174414478308025
Energy: 1.059794463040232
Energy: 1.0578579153518968
Energy: 1.4393766165557664
Energy: 1.2947213271850628
Energy: 1.0632939102328174
Energy: 1.065129284654704
Energy: 1.2950240396155888
Energy: 1.0565255775064335
Energy: 1.4396734724859612
Energy: 1.0674356030273655
Energy: 1.06444654787973
Energy: 1.0627457608345885
Energy: 1.4561037809895399
Energy: 1.0623489348511719
Energy: 1.0629651464614729
Energy: 1.0608359548235673
Energy: 1.062693728288694
Energy: 1.0647046390995998
Energy: 1.0627906127750366
Energy: 1.0934779691606897
Energy: 1.0624010784148616
Energy: 1.0625351712603297
Energy: 1.0617214538601378
Energy: 1.0666768269565385
Energy: 1.4571671709612222
Energy: 1.0574959162557145
Energy: 1.0629235087202267
Energy: 1.0664878626817071
Energy: 1.0668516646489719
Energy: 1.0678134689614673
Energy: 1.4311309961978091
Energy: 1.0619029959354005
Energy: 1.062535050792571
Energy: 1.0677761779567652
Energy: 1.060922685324632
Energy: 1.0608024120288273
Energy: 1.4316598971756682
Energy: 1.0687957745015368
Energy: 1.0621908366002952
Energy: 1.0606361378574176
Energy: 1.0604349505672737
Energy: 1.0690098972596467
Energy: 1.062452922898369
Energy: 1.060355851671968
Energy: 1.0628335152327075
Energy: 1.0617552472321674
Energy: 1.0647859794761432
Energy: 1.065099116051444
Energy: 1.0617190514176367
Energy: 1.0657103984991974
Energy: 1.0616152867838726
Energy: 1.061228927900445
Energy: 1.0641162768631154
Energy: 1.0645867081563343
Energy: 1.2943895379699053
Energy: 1.0656698580272088
Energy: 1.0625629874605285
Energy: 1.0617996261189586
Energy: 1.0795145870460399
Energy: 1.2958157334315978
Energy: 1.294719640255166
Energy: 1.0631677918601976
Energy: 1.4406169106851519
Energy: 1.065729666436591
Energy: 1.0610654361784193
Energy: 1.295859313307263
Energy: 1.2946778517417892
Energy: 1.2930163455426025
Energy: 1.441912188960532
Energy: 1.3008894185822693
Energy: 1.0590086832924166
Energy: 1.4406632950516929
Energy: 1.2960223319175583
Energy: 1.080027226831871
Energy: 1.4386547261834728
Energy: 1.0576180907825254
Energy: 1.0622372998665708
Energy: 1.4432354485531507
Energy: 1.0635651860562625
Energy: 1.0645335964307747
Energy: 1.065717050466238
Energy: 1.2949751339759943
Energy: 1.0825989871152342
Energy: 1.4329232937147511
Energy: 1.062466163316455
Energy: 1.0651565870008626
Energy: 1.0637748853412732
Energy: 1.0869394319984826
Energy: 1.0567216602283565
Energy: 1.0632510957492523
Energy: 1.0647321307141375
Energy: 1.0624105317903365
Energy: 1.0657219351406073
Energy: 1.0569857107710545

minimum gb energy = 1.0565255775064335 eV
minimum distance =  2.30070390056818 Angstroms
sigma value = 17


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

Energy: 2.3396452516525903
Energy: 1.5985438805693553
Energy: 1.1526207856099726
Energy: 1.1394034673543323
Energy: 1.1830247707281252
Energy: 1.5979780568339916
Energy: 1.133968996724002
Energy: 1.257183517637643
Energy: 1.1406261520144674
Energy: 1.1422195787743918
Energy: 1.1403357633513185
Energy: 1.1449049573810115
Energy: 1.1548724335226106
Energy: 1.406858941780067
Energy: 1.137023376380689
Energy: 1.1391349701329452
Energy: 1.1368097506484345
Energy: 1.1811022170229282
Energy: 1.1475379507483552
Energy: 1.1431122210794955
Energy: 1.1460975259492263
Energy: 1.1430732023854435
Energy: 1.145522704023481
Energy: 1.2564685381293959
Energy: 1.1476990200515806
Energy: 1.2583535500593321
Energy: 1.1442290797256747
Energy: 1.1568392099302083
Energy: 1.1438376149272813
Energy: 1.256184901863455
Energy: 1.1544461155498498
Energy: 1.2566704184819761
Energy: 1.4052203279930333
Energy: 1.1343028470574958
Energy: 1.4046406901047992
Energy: 1.1569869643422637
Energy: 1.1564281894892752
Energy: 1.1444847380823264
Energy: 1.1430664885964799
Energy: 1.1544703244407457
Energy: 1.2569382688139743
Energy: 1.1438053213073132
Energy: 1.152931734376518
Energy: 1.4059559461447013
Energy: 1.1562855643050796
Energy: 1.15440901910375
Energy: 1.4044951936622965
Energy: 1.1403319642354621
Energy: 1.155486787384793
Energy: 1.1426655923678046
Energy: 1.588334071863723
Energy: 1.1339866149752353
Energy: 1.1431035837207577
Energy: 1.15445056577365
Energy: 1.145118512397094
Energy: 1.1426596070892037
Energy: 1.2581804347164416
Energy: 1.1607858326297378
Energy: 1.1432002682573994
Energy: 1.1427396587198304
Energy: 1.1388324461829693
Energy: 1.1379478785967467
Energy: 1.1436602663825532
Energy: 1.1586964757510914
Energy: 1.137339675895404
Energy: 1.1378519530650115
Energy: 1.1422004920078779
Energy: 1.1438910758076712
Energy: 1.2583561499777516
Energy: 1.134004637005513
Energy: 1.142924164040544
Energy: 1.1439823280422134
Energy: 1.155084523405943
Energy: 1.1435956082422285
Energy: 1.4110384405050183
Energy: 1.1321247784384176
Energy: 1.1427698154170118
Energy: 1.1544447296456521
Energy: 1.1325204838133853
Energy: 1.4068948054112964
Energy: 1.2494261280158578
Energy: 1.1546544477568583
Energy: 1.407341473073
Energy: 1.1321843229733686
Energy: 1.1561219878856495
Energy: 1.1443008965367996
Energy: 1.1448253433293654
Energy: 1.154231735637643
Energy: 1.2566301883420743
Energy: 1.1442845164598718
Energy: 1.1569302633101806
Energy: 1.1519204316792606
Energy: 1.4078708485383153
Energy: 1.1374034248197145
Energy: 1.4062374115152445
Energy: 1.1570244819138622
Energy: 1.13193129475324
Energy: 1.256318061433723
Energy: 1.1439548729449185
Energy: 1.1556306941211818
Energy: 1.143963862003035
Energy: 1.1356607702622834

minimum gb energy = 1.13193129475324 eV
minimum distance =  2.28759949073646 Angstroms
sigma value = 17


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

Energy: 1.3552854138068111
Energy: 1.1642217315651187
Energy: 1.1891033807262301
Energy: 1.1891413788499465
Energy: 1.1905753423725312
Energy: 1.1857236613201942
Energy: 1.2492613157541408
Energy: 1.1894909080527063
Energy: 1.19246115036447
Energy: 1.1949279750419222
Energy: 1.1920714199734128
Energy: 1.235220290838082
Energy: 1.187035809826015
Energy: 1.354870626613796
Energy: 1.191630009067244
Energy: 1.192503741668739
Energy: 1.1912870234134574
Energy: 1.1356806507289203
Energy: 1.3849042264616935
Energy: 1.5415583537472608
Energy: 1.19010940558889
Energy: 1.1835696428503635
Energy: 1.1894367645800867
Energy: 1.359456494570911
Energy: 1.1843926687445634
Energy: 1.3559718408695192
Energy: 1.3593838139034509
Energy: 1.1839080245239164
Energy: 1.3566274932826685
Energy: 1.360422210986969
Energy: 1.1863038645752315
Energy: 1.1897297516389234
Energy: 1.1321262255593103
Energy: 1.1429100808251265
Energy: 1.3594897896387859
Energy: 1.1915354398967977
Energy: 1.1962113877612128
Energy: 1.193312786751672
Energy: 1.357250937560656
Energy: 1.1861264108496188
Energy: 1.1871235368542428
Energy: 1.1938186355054325
Energy: 1.1919448331694473
Energy: 1.1911402594826324
Energy: 1.1888268539471323
Energy: 1.1833725595161575
Energy: 1.1907914766538805
Energy: 1.1910549078126202
Energy: 1.190959005957731
Energy: 1.1960086401389207
Energy: 1.3655237449706277
Energy: 1.1902724613882545
Energy: 1.1956366522203206
Energy: 1.1954015367479809
Energy: 1.4287980888165392
Energy: 1.1909152003381525
Energy: 1.1888780666788408
Energy: 1.2747408563145999
Energy: 1.1895578263003899
Energy: 1.1907620119617859
Energy: 1.4305870556233815
Energy: 1.188348727156567
Energy: 1.1397487983037917
Energy: 1.1865347285734045
Energy: 1.1896487550545145
Energy: 1.1896414988140025
Energy: 1.4308572252656842
Energy: 1.186660288520391
Energy: 1.1349098255199432
Energy: 1.1360532598328248
Energy: 1.3675440775106809
Energy: 1.1944767684228212
Energy: 1.2742061203863377
Energy: 1.3661804315927144
Energy: 1.1336658577986602
Energy: 1.1415697536873903
Energy: 1.3676502536156614
Energy: 1.1883669776259733
Energy: 1.1323773193744622
Energy: 1.1392967874106013
Energy: 1.1381643778131674
Energy: 1.1349209134075116
Energy: 1.1380423939064193
Energy: 1.5435431673267759
Energy: 1.4462636204731456
Energy: 1.1344254688483493
Energy: 1.1365802319841993
Energy: 1.1387618308093197
Energy: 1.1376023484957662
Energy: 1.3745568356054008
Energy: 1.2680547769110107
Energy: 1.134712199502208
Energy: 1.1358223545640094
Energy: 1.135971837812199
Energy: 1.13550693791079
Energy: 1.1597344935148468
Energy: 1.3839193597673403
Energy: 1.3696000650379032
Energy: 1.1399066859862201
Energy: 1.1346255938940397
Energy: 1.140233861673502
Energy: 1.3588126320019414
Energy: 1.3918041882095844
Energy: 1.3674752622613893
Energy: 1.1387827040487943
Energy: 1.1569421597613019
Energy: 1.13837216710333
Energy: 1.3587579387628819
Energy: 1.215824627507039
Energy: 1.28344196614814
Energy: 1.3715828849999063
Energy: 1.1372678208753328
Energy: 1.3708652666499133
Energy: 1.1830755126654888
Energy: 1.4298920138563656
Energy: 1.1905846575699142
Energy: 1.1384319481220833
Energy: 1.1613315179483188
Energy: 1.3670454610580767
Energy: 1.1916281004333338
Energy: 1.4325694449450594
Energy: 1.1886099022345729
Energy: 1.5502271360556832
Energy: 1.1831984833994282
Energy: 1.1916683358521105
Energy: 1.1892133126322812
Energy: 1.2272458113801263
Energy: 1.1949351561215869
Energy: 1.132918731396273
Energy: 1.5374189579469697
Energy: 1.190015587782469
Energy: 1.1948979584665465
Energy: 1.1991356821290056
Energy: 1.1910168628641413
Energy: 1.189653835489311
Energy: 1.221217632807962
Energy: 1.1923292850883482
Energy: 1.1913931300061489
Energy: 1.1899098694977737
Energy: 1.1897737553094538
Energy: 1.22732786868327
Energy: 1.1997209900293018
Energy: 1.190387855457508
Energy: 1.1901782924867
Energy: 1.1890616184091571
Energy: 1.1852084573204344
Energy: 1.3568831284176683
Energy: 1.1396699498870662
Energy: 1.3563731805946802
Energy: 1.1941776084598021
Energy: 1.1828623894880939
Energy: 1.3578925390130379
Energy: 1.3559535064257706
Energy: 1.1362894235680383
Energy: 1.3561665001283516
Energy: 1.1843549183619704
Energy: 1.1369820481102608
Energy: 1.3589558578384533
Energy: 1.1920808987939475
Energy: 1.1832242367946086
Energy: 1.357747787912374
Energy: 1.1366908203457142
Energy: 1.1323460648006123
Energy: 1.236485357659903
Energy: 1.193812088919619
Energy: 1.1927100762376577
Energy: 1.1943061391270606
Energy: 1.3577520823231015
Energy: 1.1998053818579677
Energy: 1.1884572497111616
Energy: 1.189929366099159
Energy: 1.189659380100742
Energy: 1.189493690271761
Energy: 1.1383631262117366
Energy: 1.134302888751514
Energy: 1.1894000427566367
Energy: 1.1920411491763514
Energy: 1.202226194272971
Energy: 1.1926799438104283
Energy: 1.3657406470532096
Energy: 1.3841172877373413
Energy: 1.1906068009266784
Energy: 1.195214913554601
Energy: 1.2247070692682855
Energy: 1.1949569259377604
Energy: 1.3661559816408675
Energy: 1.1830824852290274
Energy: 1.1887982702465383
Energy: 1.188659969486508
Energy: 1.190037506508022
Energy: 1.1887639689046383
Energy: 1.1362730871895466
Energy: 1.3921162468087853
Energy: 1.1392650707523917
Energy: 1.1917831715698775
Energy: 1.1966273341513705
Energy: 1.1906782392714264
Energy: 1.1382490309664643
Energy: 1.3793399137934146
Energy: 1.3728825814295174
Energy: 1.1909635622022354
Energy: 1.2696792437653885
Energy: 1.371915317455894
Energy: 1.1325924296221117
Energy: 1.1407250664910926
Energy: 1.1394180066642234
Energy: 1.541567982030392
Energy: 1.1377510759703442
Energy: 1.3695930703769188
Energy: 1.1391960030004071
Energy: 1.1522449630278113
Energy: 1.1392254078321826
Energy: 1.367216044850159
Energy: 1.1325858882365811
Energy: 1.13823720375932
Energy: 1.1388048664875232
Energy: 1.1355734003942184
Energy: 1.1355837531408481
Energy: 1.1335612471363963
Energy: 1.2686851942985757
Energy: 1.1357749526220897
Energy: 1.1359330695239263
Energy: 1.1393637156369358
Energy: 1.1385970189615358
Energy: 1.3667455946919669
Energy: 1.1992758911347763
Energy: 1.1390786961379342
Energy: 1.1379073441729635
Energy: 1.1353496648256907
Energy: 1.1595505888741124
Energy: 1.3535059207703515
Energy: 1.3600915111415415
Energy: 1.140964136723745
Energy: 1.136418831491198
Energy: 1.6126902133902632
Energy: 1.3664042662924838
Energy: 1.374169745135853
Energy: 1.263453790439318
Energy: 1.369849022766596
Energy: 1.1365257586755344
Energy: 1.3919991356889272
Energy: 1.1346998675496638
Energy: 1.1869584284569754
Energy: 1.1837281190920768
Energy: 1.188780095344273
Energy: 1.1388754095546496
Energy: 1.1339998008962295
Energy: 1.422638131800149
Energy: 1.1886444352258412
Energy: 1.189656952005806
Energy: 1.1882375574875503
Energy: 1.1371200651978186
Energy: 1.4469212230554533
Energy: 1.1895027074918398
Energy: 1.191294577793026
Energy: 1.195583403274843
Energy: 1.192629576879025
Energy: 1.1318430454775732

minimum gb energy = 1.1318430454775732 eV
minimum distance =  2.27664794768592 Angstroms
sigma value = 57


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

Energy: 1.7648723762973697
Energy: 1.1773756308390977
Energy: 1.220432967468601
Energy: 1.4097049247892846
Energy: 1.2350346306916162
Energy: 1.1702908325908294
Energy: 1.2436625124896303
Energy: 1.207604682945783
Energy: 1.2137300045207653
Energy: 1.2207574063682733
Energy: 1.2136380133890416
Energy: 1.2153236625015722
Energy: 1.2761035197711224
Energy: 1.3668642179983361
Energy: 1.2116312275437957
Energy: 1.2158234495481957
Energy: 1.211627662781977
Energy: 1.2832237269394169
Energy: 1.7474750619318378
Energy: 1.4603011610139904
Energy: 1.2088460085322943
Energy: 1.2063428116708572
Energy: 1.2110075008732704
Energy: 1.456309525236204
Energy: 1.2397973979569308
Energy: 1.4552738889704349
Energy: 1.3644896015954693
Energy: 1.1524063375038953
Energy: 1.3682835830034317
Energy: 1.454503234506871
Energy: 1.2435338786289656
Energy: 1.2348791423209649
Energy: 1.1478661395533092
Energy: 1.1521512821320263
Energy: 1.2425160473354941
Energy: 1.2447350666262227
Energy: 1.2496164091896276
Energy: 1.2404752758386017
Energy: 1.3678325869514152
Energy: 1.217982728391474
Energy: 1.2280613799783218
Energy: 1.2404146897644777
Energy: 1.2411661033603456
Energy: 1.2393044383029252
Energy: 1.2460037137614735
Energy: 1.2219616476804047
Energy: 1.2357961897260765
Energy: 1.2394086297520688
Energy: 1.2398418890731633
Energy: 1.2402197612989392
Energy: 1.2218760994817517
Energy: 1.2301304217027573
Energy: 1.2405484002252132
Energy: 1.245798433424561
Energy: 1.2768548698627529
Energy: 1.2369721723086073
Energy: 1.249227111800643
Energy: 1.2638638122565904
Energy: 1.2462274109098903
Energy: 1.238748777257243
Energy: 1.444974898997156
Energy: 1.2451251521746804
Energy: 1.1078710053984058
Energy: 1.3364813336740158
Energy: 1.2717101432432918
Energy: 1.244355126960946
Energy: 1.2666947399508766
Energy: 1.2666118424511237
Energy: 1.1073010157198182
Energy: 1.113830312450428
Energy: 1.107003370086443
Energy: 1.2386452439916928
Energy: 1.244768480260418
Energy: 1.1042540138408703
Energy: 1.1059412707574297
Energy: 1.1124078791279717
Energy: 1.1043685937112175
Energy: 1.4098402795912324
Energy: 1.872401455134861
Energy: 1.1062656090532033
Energy: 1.1226152676654586
Energy: 1.3123573907497197
Energy: 1.1065430113682193
Energy: 1.1033641801847387
Energy: 1.2810837476171164
Energy: 1.1057084989403487
Energy: 1.107824625088548
Energy: 1.112714350138561
Energy: 1.1072232605048264
Energy: 1.1034092989454247
Energy: 1.2671679200714097
Energy: 1.1081485157617508
Energy: 1.1049922862884798
Energy: 1.1056833455340722
Energy: 1.104897628806378
Energy: 1.3194385590401385
Energy: 1.752585600791037
Energy: 1.2399193766548933
Energy: 1.1066428580504255
Energy: 1.1041794425044995
Energy: 1.106945278869052
Energy: 1.458444100461523
Energy: 1.2716096181206582
Energy: 1.4606377931616858
Energy: 1.3760637532103455
Energy: 1.2257741252619527
Energy: 1.3700166466596193
Energy: 1.457918637113268
Energy: 1.2392364336331074
Energy: 1.2436055400962638
Energy: 1.348500631167765
Energy: 1.158833148641012
Energy: 1.2470803914677184
Energy: 1.230370920652298
Energy: 1.2513842853947388
Energy: 1.2421425662494485
Energy: 1.3743313034790663
Energy: 1.216694582445536
Energy: 1.2268870239577654
Energy: 1.2420942918118494
Energy: 1.2409531808771663
Energy: 1.2394930874284749
Energy: 1.2356100739896072
Energy: 1.310696818668766
Energy: 1.2398641573526086
Energy: 1.2395314652680196
Energy: 1.2383623339271472
Energy: 1.242572777248753
Energy: 1.442694929614017
Energy: 1.4439556087030367
Energy: 1.2452880724212994
Energy: 1.2409813396486022
Energy: 1.268721552300379
Energy: 1.2433570132146157
Energy: 1.4399353544151117
Energy: 1.2400162319885328
Energy: 1.4183896974907284
Energy: 1.241980353966899
Energy: 1.4475462770635703
Energy: 1.2406177601621264
Energy: 1.2107493361393187
Energy: 1.2321408479197002
Energy: 1.4392388686024367
Energy: 1.2410488877736083
Energy: 1.265281231126453
Energy: 1.418662026644063
Energy: 1.2161531682024707
Energy: 1.2250987676239837
Energy: 1.2132871263959892
Energy: 1.2441733733229976
Energy: 1.2756647919755837
Energy: 1.2155154996370985
Energy: 1.2132777742690404
Energy: 1.2160706632428966
Energy: 1.2107586377809931
Energy: 1.2345083638316612
Energy: 1.753263564450021
Energy: 1.2063793963184326
Energy: 1.225300732595819
Energy: 1.231948095851096
Energy: 1.2114005481276136
Energy: 1.1533790674905129

minimum gb energy = 1.1033641801847387 eV
minimum distance =  2.26196439157911 Angstroms
sigma value = 43


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

Energy: 1.2595285763953603
Energy: 1.2488701014459695
Energy: 1.2354507084154762
Energy: 1.2356421966435986
Energy: 1.2354910744890486
Energy: 1.2282377955764203
Energy: 1.3486359416919862
Energy: 1.2370622618379283
Energy: 1.2375376148665727
Energy: 1.2361160776424271
Energy: 1.2376067308867762
Energy: 1.2326730605683758
Energy: 1.3788742825606468
Energy: 1.2827145856176596
Energy: 1.2355480993329684
Energy: 1.2402447574682198
Energy: 1.2357033818894998
Energy: 1.172629593826344
Energy: 1.5462023678218344
Energy: 1.432495915616622
Energy: 1.2307444371723812
Energy: 1.2331189489984593
Energy: 1.373754238695332
Energy: 1.1703549637546158
Energy: 1.3846667607995453
Energy: 1.1712095847240929
Energy: 1.372738399344612
Energy: 1.3288827443379416
Energy: 1.283585166551527
Energy: 1.1716835075024299
Energy: 1.1724674220316287
Energy: 1.169028274311312
Energy: 1.1601905989568673
Energy: 1.1604887286329792
Energy: 1.16757634240673
Energy: 1.1699033795944962
Energy: 1.1686078363970778
Energy: 1.1715563634271604
Energy: 1.2788766944399745
Energy: 1.2595395389535995
Energy: 1.1680679536825824
Energy: 1.1711596783304616
Energy: 1.1757998739073316
Energy: 1.1701419426224724
Energy: 1.384481801801148
Energy: 1.2375013175624794
Energy: 1.1703752206184062
Energy: 1.1702838122778545
Energy: 1.1690676248329104
Energy: 1.168738959216545
Energy: 1.3100466371732773
Energy: 1.1608310565627509
Energy: 1.3527251693998437
Energy: 1.167179513576541
Energy: 1.3945823771001344
Energy: 1.1704588695977443
Energy: 1.306145837802557
Energy: 1.3527972921815403
Energy: 1.4082469522509995
Energy: 1.1705152864439186
Energy: 1.631856501192564
Energy: 1.1777122773680027
Energy: 1.2482876026256342
Energy: 1.2501118708600505
Energy: 1.3021819224579263
Energy: 1.1611841829068321
Energy: 1.2315551355992447
Energy: 1.3583274003831807
Energy: 1.2583500942070645
Energy: 1.2575370913152195
Energy: 1.2585125249157985
Energy: 1.3511627687731371
Energy: 1.1664203340907413
Energy: 1.2569387718209077
Energy: 1.2578891201024789
Energy: 1.2638392654841595
Energy: 1.2580045113622282
Energy: 1.4711511465687725
Energy: 1.4156675099506557
Energy: 1.2504898437447731
Energy: 1.2493016549649778
Energy: 1.255940763646652
Energy: 1.2529398238401637
Energy: 1.1588399924392243
Energy: 1.2428729610334694
Energy: 1.2575888494621692
Energy: 1.2588830256208219
Energy: 1.291922394099488
Energy: 1.2584879257681003
Energy: 1.2589426117322853
Energy: 1.378013979219681
Energy: 1.1623120715295248
Energy: 1.2575571469849525
Energy: 1.2631542511734326
Energy: 1.2575660559395458
Energy: 1.158640121039084
Energy: 1.6376919980313462
Energy: 1.1599224157241583
Energy: 1.254713446168523
Energy: 1.2862843163554432
Energy: 1.3270674936488283
Energy: 1.15996078262069
Energy: 1.6397467525394174
Energy: 1.1613103285717117
Energy: 1.1529888707272633
Energy: 1.2784255313101132
Energy: 1.158226832273307
Energy: 1.1612015608689346
Energy: 1.3117424704807632
Energy: 1.3138457066966143
Energy: 1.1891731613092524
Energy: 1.6404674217827513
Energy: 1.189307053791909
Energy: 1.3134922585823496
Energy: 1.3308960745214191
Energy: 1.1608311669548088
Energy: 1.155608433132053
Energy: 1.2833551955094846
Energy: 1.158351260423507
Energy: 1.160409572046069
Energy: 1.3228281373330897
Energy: 1.158767379053089
Energy: 1.1942287004466599
Energy: 1.2920551183520652
Energy: 1.1583499928612102
Energy: 1.1592119763121893
Energy: 1.3226443170432327
Energy: 1.158839004624368
Energy: 1.192332285351376
Energy: 1.1952734179722115
Energy: 1.4509518998427664
Energy: 1.1582615996994607
Energy: 1.2615848550894861
Energy: 1.303609210365216
Energy: 1.1933830750040926
Energy: 1.292268137896219
Energy: 1.1926472922624414
Energy: 1.400563710491154
Energy: 1.6677456962747286
Energy: 1.1934339720961469
Energy: 1.1880583194022916
Energy: 1.1870565971105433
Energy: 1.1922038458109057
Energy: 1.2733868052236321
Energy: 1.2354319267513036
Energy: 1.1922129768121392
Energy: 1.192325572723878
Energy: 1.1909807136812194
Energy: 1.1926036425181643
Energy: 1.4011777638768739
Energy: 1.1896782579178948
Energy: 1.1876045208370956
Energy: 1.1916990776705683
Energy: 1.191220831892776
Energy: 1.1917759333069953
Energy: 1.4430237225603801
Energy: 1.42505751839921
Energy: 1.360051871475339
Energy: 1.188372378513483
Energy: 1.1881022729946102
Energy: 1.1873513722147806
Energy: 1.1605642267193834
Energy: 1.329167561942505
Energy: 1.3606624960047495
Energy: 1.1902266427756518
Energy: 1.2376871411240575
Energy: 1.190762351766475
Energy: 1.2798529994929464
Energy: 1.2296861708507822
Energy: 1.2276526012583133
Energy: 1.1896771802963861
Energy: 1.1613070504010332
Energy: 1.3627976948214837
Energy: 1.2282239382873092
Energy: 1.2423701872809338
Energy: 1.2369397587546012
Energy: 1.1910439843993517
Energy: 1.236069203340537
Energy: 1.2298902981114777
Energy: 1.2368307807757766
Energy: 1.2430164345826165
Energy: 1.2371477175867212
Energy: 1.2367169543956018
Energy: 1.1922340623602377
Energy: 1.237040260670988
Energy: 1.237170850530793
Energy: 1.231610327410974
Energy: 1.2301709229112228
Energy: 1.1592018221506055
Energy: 1.1604373058611719
Energy: 1.2284526180017963
Energy: 1.230051525644516
Energy: 1.3854877112872224
Energy: 1.2379205577925625
Energy: 1.2368060052729828
Energy: 1.244256792941877
Energy: 1.2324282926520493
Energy: 1.237636130058784
Energy: 1.4233630202649405
Energy: 1.2363372071350816
Energy: 1.2326785306636994
Energy: 1.3028380883387354
Energy: 1.4476456306165506
Energy: 1.236809963372616
Energy: 1.3800855638274578
Energy: 1.2321537498627144
Energy: 1.2362899891005976
Energy: 1.2375631720980693
Energy: 1.2361535383137165
Energy: 1.2381898041837465
Energy: 1.2779627447841164
Energy: 1.2387169143746386
Energy: 1.237487236829899
Energy: 1.23546915510742
Energy: 1.234854486493258
Energy: 1.233131498282737

minimum gb energy = 1.1529888707272633 eV
minimum distance =  2.22659563287104 Angstroms
sigma value = 81


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

Energy: 1.1773713810429578
Energy: 1.1776710208011403
Energy: 1.1854464026062927
Energy: 1.1872398496058925
Energy: 1.4997782828184363
Energy: 1.1773331060815844
Energy: 1.1777046924268957
Energy: 1.3203224138331162
Energy: 1.1854646286798476
Energy: 1.1857023357711136
Energy: 1.1860214958298827
Energy: 1.3163723630660613
Energy: 1.3179484679068376
Energy: 1.3162176397917822
Energy: 1.1859529750835514
Energy: 1.1858866079076307
Energy: 1.185276006351758
Energy: 1.316654336061797
Energy: 1.3163972228107856
Energy: 1.3162574525134094
Energy: 1.1864635754853143
Energy: 1.1858341236950851
Energy: 1.3168179124620834
Energy: 1.3164474559349817
Energy: 1.3161620485320729
Energy: 1.3186736561888686
Energy: 1.1857897907232098
Energy: 1.1776041302499352
Energy: 1.3183404309537203
Energy: 1.316610329251948
Energy: 1.185498708457127
Energy: 1.1853058680627606
Energy: 1.1775293810522716
Energy: 1.1804052360839081
Energy: 1.316124678967817
Energy: 1.1856745205467716
Energy: 1.1852438515811758
Energy: 1.1853794636091353
Energy: 1.3161105374165598
Energy: 1.1856239173300105
Energy: 1.3186132384609048
Energy: 1.1858247399212274
Energy: 1.1857160436473762
Energy: 1.185692612896972
Energy: 1.3165448305709397
Energy: 1.3161209565374379
Energy: 1.3166235298369016
Energy: 1.1861312054957756
Energy: 1.186294845947143
Energy: 1.1863613330173115
Energy: 1.3163454911192858
Energy: 1.3165020747987124
Energy: 1.3165382932600893
Energy: 1.1863959805843587
Energy: 1.1775647440038013
Energy: 1.1856156160558606
Energy: 1.3164158275173448
Energy: 1.3162175069674522
Energy: 1.3177645006575518
Energy: 1.185688622975867

minimum gb energy = 1.1773331060815844 eV
minimum distance =  2.27271600005677 Angstroms
sigma value = 3


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

Energy: 2.3820185125368427
Energy: 1.2181524041487204
Energy: 1.1481006869896586
Energy: 1.1486021635440373
Energy: 1.1453560466067612
Energy: 1.1598480204263617
Energy: 1.12902149876424
Energy: 1.1473280795379655
Energy: 1.146728202821926
Energy: 1.3887391404549585
Energy: 1.1473380010187144
Energy: 1.1459570564382424
Energy: 1.3852897584062942
Energy: 1.259050642315751
Energy: 1.1464332287532994
Energy: 1.3873897031928497
Energy: 1.1468009124994831
Energy: 1.3735418228276406
Energy: 1.3876857632131112
Energy: 1.1466924675035668
Energy: 1.1462496905073936
Energy: 1.1464904483739824
Energy: 1.2594991204214951
Energy: 1.1463460981727214
Energy: 1.3852427931135274
Energy: 1.146718120386068
Energy: 1.1470525154289202
Energy: 1.2297155190347229
Energy: 1.1468194099505715
Energy: 1.3855031315684156
Energy: 1.205533509993962
Energy: 1.2098316796647477
Energy: 1.2565641000493855
Energy: 1.1442752867812231
Energy: 1.144426665176732
Energy: 1.2103272942869208
Energy: 1.596318095836385
Energy: 1.146766420358635
Energy: 1.226506645694018
Energy: 1.1436134571669017
Energy: 1.14780149006036
Energy: 1.3847902114591952
Energy: 1.5955157711661943
Energy: 1.1476596158047654
Energy: 1.1464292814627042
Energy: 1.1461299750265994
Energy: 1.1471193622476819
Energy: 1.146442220434066
Energy: 1.144576135053149
Energy: 1.1462449452126742
Energy: 1.145204280245687
Energy: 1.1468928894797603
Energy: 1.1451099876073776
Energy: 1.2390510358164064
Energy: 1.232905955922949
Energy: 1.1461608579730216
Energy: 1.1460412524412413
Energy: 1.1455652495337372
Energy: 1.1472166722997754
Energy: 1.265328427018482
Energy: 1.3859039867395864
Energy: 1.2583202902164048
Energy: 1.1460015031946207
Energy: 1.1459840558067111
Energy: 1.1439268053879497
Energy: 1.3853052943847797
Energy: 1.2097441202266763
Energy: 1.144775252691889
Energy: 1.146529917891788
Energy: 1.1616841772064803
Energy: 1.146383400471747
Energy: 1.1973908342463702
Energy: 1.1456341685364722
Energy: 1.1441891258773556
Energy: 1.1465967225029359
Energy: 1.1617356468229099
Energy: 1.1485659595766138
Energy: 1.1470408691238896
Energy: 1.1453605903404989
Energy: 1.1450955241110639
Energy: 1.1456830794705781
Energy: 1.2051458940355915
Energy: 1.1455209810290223
Energy: 1.1451806699828109
Energy: 1.1454350369927773
Energy: 1.146668441900784
Energy: 1.1469277275160614
Energy: 1.3889854555590404
Energy: 1.2341571141558112
Energy: 1.1461469775710418
Energy: 1.1443701263013246
Energy: 1.2263009630626112
Energy: 1.1469158672590682
Energy: 1.3817282980823895
Energy: 1.1474800952398785
Energy: 1.1441189521331332
Energy: 1.1591149116846515
Energy: 1.1459305120045735
Energy: 1.3689354801715683
Energy: 1.2067534449469848
Energy: 1.3698840848199219
Energy: 1.1280706835620422
Energy: 1.1600560727852272
Energy: 1.1456356599063031
Energy: 1.385617076005737
Energy: 1.3851627925680772
Energy: 1.146535772093019
Energy: 1.1281025208414621
Energy: 1.1445152848992566
Energy: 1.2557778827277024
Energy: 1.1462704511682087
Energy: 1.3878465821009014
Energy: 1.1459381384968714
Energy: 1.1480296308793123
Energy: 1.3853995435597344
Energy: 1.14691244736635
Energy: 1.147219201296252
Energy: 1.385089970635987
Energy: 1.2615565794249801
Energy: 1.1464973480146516
Energy: 1.3846709214653625
Energy: 1.1465760795431774
Energy: 1.2556900956935177
Energy: 1.1434829952639958
Energy: 1.146003102083109
Energy: 1.3861826759295495
Energy: 1.143680976040409
Energy: 1.14432405980624
Energy: 1.1433454120780475
Energy: 1.1417776853413233
Energy: 1.3706096233826857
Energy: 1.144076730811035
Energy: 1.3896859568203614
Energy: 1.3690223630661984
Energy: 1.3725607534527742
Energy: 1.2296647603354482
Energy: 1.242264529682209
Energy: 1.3807887310212166
Energy: 1.5958569413738246
Energy: 1.3739447066578743
Energy: 1.1458643461513276
Energy: 1.1440955431882416
Energy: 1.1465165986529084
Energy: 1.6474480895105998
Energy: 1.3827863184861504
Energy: 1.233095086292306
Energy: 1.1461223226679476
Energy: 1.1461626665652411
Energy: 1.1462472065641545
Energy: 1.4534855238432165
Energy: 1.2124959783317182
Energy: 1.1483480248668898
Energy: 1.1457443209521245
Energy: 1.1457854247523223
Energy: 1.1460101288047904
Energy: 1.147204648260624
Energy: 1.38575746690097
Energy: 1.2593521582356215
Energy: 1.14445648031703
Energy: 1.1437886156717088
Energy: 1.1441224774684784
Energy: 1.1442147042672615
Energy: 1.209509132109865
Energy: 1.1459687453804297
Energy: 1.1460667374419449
Energy: 1.1612770848365643
Energy: 1.2671543774328664
Energy: 1.1441632900696757
Energy: 1.1444151991512337
Energy: 1.1449187120323294
Energy: 1.160646944492798
Energy: 1.1647311437473564
Energy: 1.144212467744983
Energy: 1.1445438099251932
Energy: 1.1453376450563202
Energy: 1.1458768162179638
Energy: 1.147644408492758
Energy: 1.2129193930046405
Energy: 1.1467752879212907
Energy: 1.145841210841438
Energy: 1.1454251636539252
Energy: 1.1459561458115968
Energy: 1.2340525740133492
Energy: 1.3839459778478083
Energy: 1.1466393723854966
Energy: 1.1460233590891293
Energy: 1.1440907113567507
Energy: 1.1446254336118868
Energy: 1.240352015154266
Energy: 1.405257727574523
Energy: 1.240158023048213
Energy: 1.1442025076052176
Energy: 1.127360181909562
Energy: 1.2405387926850886
Energy: 1.3804679485614657
Energy: 1.3863661661838005
Energy: 1.1467400465174191
Energy: 1.2479692135401272

minimum gb energy = 1.127360181909562 eV
minimum distance =  2.27661820554318 Angstroms
sigma value = 67


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

Energy: 2.012531457127564
Energy: 1.122682370492478
Energy: 1.0971863867760492
Energy: 1.3430371264095615
Energy: 1.0967165910067416
Energy: 1.122818568305367
Energy: 1.0961169126655235
Energy: 1.2865410123404097
Energy: 1.2769097716996651
Energy: 1.3533365716877885
Energy: 1.0887057448318656
Energy: 1.0904812487029127
Energy: 1.1285346017209716
Energy: 1.1929341980958137
Energy: 1.0883490600752357
Energy: 1.3556036980052726
Energy: 1.0881892099966906
Energy: 1.1258502164370008
Energy: 1.4114738146667565
Energy: 1.122252777365125
Energy: 1.2866695901983918
Energy: 1.0914813975820123
Energy: 1.1958648055101317
Energy: 1.1244803715265261
Energy: 1.4080855962515038
Energy: 1.1225206057869244
Energy: 1.188913650090418
Energy: 1.0886500610004295
Energy: 1.1887463187980374
Energy: 1.1304034612952316
Energy: 1.351720318696075
Energy: 1.3449767268861625
Energy: 1.2639070908393837
Energy: 1.2519937059262691
Energy: 1.1532089323627221
Energy: 1.3446682728112975
Energy: 1.1035734558019203
Energy: 1.1238230534030755
Energy: 1.3702034035045212
Energy: 1.0936331977818277
Energy: 1.3100702082532296
Energy: 1.407236586687697
Energy: 1.3800793373328766
Energy: 1.1234551349700455
Energy: 1.23859536561979
Energy: 1.2396571152094393
Energy: 1.2384017571161976
Energy: 1.0958436375891514
Energy: 1.1499453149228587
Energy: 1.0854797704937844
Energy: 1.240235966047109
Energy: 1.2407392303955997
Energy: 1.251867956167118
Energy: 1.155758501562888
Energy: 1.1702420424808777
Energy: 1.163845566072907
Energy: 1.086896986168232
Energy: 1.245000840605839
Energy: 1.0874523372026175
Energy: 1.1620981215867328
Energy: 1.1192346543711802
Energy: 1.086356150709245
Energy: 1.089869249408613
Energy: 1.0870490044628183
Energy: 1.2878042662690246
Energy: 1.0860390582966408
Energy: 1.1669712135763644
Energy: 1.0900554939515008
Energy: 1.0865971662129708
Energy: 1.0931808810790122
Energy: 1.1640975637860809
Energy: 1.124756854005866
Energy: 1.1251928199396126
Energy: 1.0903413155204236
Energy: 1.0863371592315112
Energy: 1.0896102730980266
Energy: 1.0898915567464789
Energy: 1.0895481874376287
Energy: 1.1213548328649723
Energy: 1.0859876600842826
Energy: 1.1614190534670388
Energy: 1.0866316439942798
Energy: 1.124422941507476
Energy: 1.0857301545545506
Energy: 1.1302894344707985
Energy: 1.0872242284930254
Energy: 1.087091165970315
Energy: 1.5258619616688651
Energy: 1.1623725337456683
Energy: 1.086856189515745
Energy: 1.132451904494129
Energy: 1.160908127445435
Energy: 1.2451715633316631
Energy: 1.5260457407580472
Energy: 1.24482079325726
Energy: 1.1334727974561691
Energy: 1.0953260260253688
Energy: 1.121705321563686
Energy: 1.238844386013613
Energy: 1.239054669352954
Energy: 1.238625644889479
Energy: 1.09469198886581
Energy: 1.1159895081141873
Energy: 1.1223014539312446
Energy: 1.092348225189451
Energy: 1.1123030084334526
Energy: 1.238748121889546
Energy: 1.1221116149687456
Energy: 1.1196960328798196
Energy: 1.1229359661996652
Energy: 1.5950466648136081
Energy: 1.527949253546564
Energy: 1.087480247728907
Energy: 1.1229556681979949
Energy: 1.128514901995317
Energy: 1.1219370873085843
Energy: 1.1219131922241394
Energy: 1.1117948031695117
Energy: 1.1223608733186354
Energy: 1.1222448503138513
Energy: 1.123590935866413
Energy: 1.1222843346781382
Energy: 1.1245843220414131
Energy: 1.5577499069095353
Energy: 1.1220993074760781
Energy: 1.1224424208303698
Energy: 1.1229086137376152
Energy: 1.122340476210451
Energy: 1.0895503591507214
Energy: 1.3389586195154175
Energy: 1.1639214301487806
Energy: 1.1229513648582623
Energy: 1.0979234906349453
Energy: 1.1237482836334172
Energy: 1.2874513957405196
Energy: 1.3563770743547232
Energy: 1.0886615346097992
Energy: 1.1529488885932015

minimum gb energy = 1.0854797704937844 eV
minimum distance =  2.27068788374046 Angstroms
sigma value = 33


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

Energy: 2.510888080095397
Energy: 1.052695585852238
Energy: 1.274250219222287
Energy: 1.4439563128993216
Energy: 1.2738462084397755
Energy: 1.3976287813135981
Energy: 1.033181577589413
Energy: 1.1093339118378045
Energy: 1.4461730133939714
Energy: 1.4460872936586477
Energy: 1.1083121835225382
Energy: 1.1035364862360113
Energy: 1.1972066439315732
Energy: 1.0320302088823374
Energy: 1.0314883141088618
Energy: 1.3583204599191796
Energy: 1.1084254919755612
Energy: 1.0309683896134914
Energy: 1.2026294991048856
Energy: 1.030255947383271
Energy: 1.106118886674867
Energy: 1.4461453367867199
Energy: 1.0302499281935755
Energy: 1.218109294185378
Energy: 1.1995518702093593
Energy: 1.1975097411907103
Energy: 1.0324084442809303
Energy: 1.1970276490416858
Energy: 1.0321868627349629
Energy: 1.1967075807870233
Energy: 1.0333119852737285
Energy: 1.0322615308452059
Energy: 1.2768139270256198
Energy: 1.4437267745226332
Energy: 1.2788836267594514
Energy: 1.0324218546735562
Energy: 1.0319462417513263
Energy: 1.0312700507942023
Energy: 1.2146696628018765
Energy: 1.0296995726544034
Energy: 1.0317943885236796
Energy: 1.3586179604904887
Energy: 1.0306279836594807
Energy: 1.1101805189798613
Energy: 1.197632427411715
Energy: 1.1972065177317694
Energy: 1.1972360626216012
Energy: 1.0290411818741874
Energy: 1.446887886614517
Energy: 1.0296453676461603
Energy: 1.030766861944465
Energy: 1.1987562006051469
Energy: 1.0308207933788005
Energy: 1.1219750778279949
Energy: 1.446531357755094
Energy: 1.1098817698170231
Energy: 1.0315798834351313
Energy: 1.1985120213139082
Energy: 1.0313442804047348
Energy: 1.1085058102883572
Energy: 1.444104939790813
Energy: 1.0315692071796805
Energy: 1.0348838285552313
Energy: 1.196122103867338
Energy: 1.1105283370890575
Energy: 1.0314811656040848
Energy: 1.4443624642346762
Energy: 1.4446507850219803
Energy: 1.0307494782294562
Energy: 1.0331997732553249
Energy: 1.0305665731319344
Energy: 1.4447195324260806
Energy: 1.033975055297065
Energy: 1.4440772907388215
Energy: 1.030831322809378
Energy: 1.0336789216448516
Energy: 1.0314905638750658
Energy: 1.034267487518008
Energy: 1.5215838233497878
Energy: 1.031665647726623
Energy: 1.0320398157023656
Energy: 1.0305332234154652
Energy: 1.0312615217944678
Energy: 1.0305408487484515
Energy: 1.5078520302735348
Energy: 1.0319935522372217
Energy: 1.031556144686134
Energy: 1.0374865500487123
Energy: 1.0310954993596995
Energy: 1.1060232943980728
Energy: 1.5127131024285692
Energy: 1.0293659403931654
Energy: 1.0294534043471326
Energy: 1.0303262903908108
Energy: 1.0287928549307312
Energy: 1.1094593474042376
Energy: 1.4410528395305644
Energy: 1.0303786164629807
Energy: 1.032425587687784
Energy: 1.0316105202421115
Energy: 1.0327086800291456
Energy: 1.0313727244219144
Energy: 1.0334158652016072
Energy: 1.1083413377611893
Energy: 1.0319920066746184
Energy: 1.0343637614731769
Energy: 1.031529838948562
Energy: 1.4474648224979623
Energy: 1.2380011692029345
Energy: 1.2659821215049507
Energy: 1.3676174667352037
Energy: 1.356457903660038
Energy: 1.446871840321908
Energy: 1.2652220699679735
Energy: 1.445779726681827
Energy: 1.267786894637188
Energy: 1.1068279987379754
Energy: 1.193755238766445
Energy: 1.1089740726536532
Energy: 1.4468174179571662
Energy: 1.358473121327077
Energy: 1.0321061267283593
Energy: 1.031622113281689
Energy: 1.197135618450831
Energy: 1.1098394958803428
Energy: 1.030864615209215
Energy: 1.4456483162293658
Energy: 1.110913120850187
Energy: 1.0301873901168572
Energy: 1.2016972864159534
Energy: 1.0301037699039224
Energy: 1.197375626459298
Energy: 1.0316017741787575
Energy: 1.031748825027727
Energy: 1.1978137774869257
Energy: 1.1986779489296633
Energy: 1.0311693397791086
Energy: 1.0302454652474147
Energy: 1.0466957018873417
Energy: 1.2142842893643322
Energy: 1.031536330507863
Energy: 1.0326656794665958
Energy: 1.032127852215909
Energy: 1.611133740009677
Energy: 1.0344343924512607
Energy: 1.0311546482501068
Energy: 1.1974990633974294
Energy: 1.0292913460634434
Energy: 1.0319780511960877
Energy: 1.2160165251613646
Energy: 1.1979137642386053
Energy: 1.1956472787092896
Energy: 1.0294030605507611
Energy: 1.5198433195237095
Energy: 1.0350633998439276
Energy: 1.196911129514217
Energy: 1.1964869331939156
Energy: 1.0310248592430236
Energy: 1.0300156579393085
Energy: 1.4024399100561165
Energy: 1.0307998972694237
Energy: 1.034278985265588
Energy: 1.1975541998611023
Energy: 1.0312880966152216
Energy: 1.1087719704310617
Energy: 1.4469579200927205
Energy: 1.1095222782931877
Energy: 1.0309100344868554
Energy: 1.1982884959824296
Energy: 1.1067768855292575
Energy: 1.0315389539456725
Energy: 1.4476245894037452
Energy: 1.219246561850755
Energy: 1.1971681303584327
Energy: 1.0333016473462635
Energy: 1.0306670433582577
Energy: 1.4443364576902826
Energy: 1.4452640339354763
Energy: 1.2927363991878504
Energy: 1.029431259078681
Energy: 1.0335954538276602
Energy: 1.0311948999606777
Energy: 1.0332468955159346
Energy: 1.0301853529624687
Energy: 1.444145010924905
Energy: 1.1943451902439264
Energy: 1.030354524491991
Energy: 1.0316096912216857
Energy: 1.0318520876415445
Energy: 1.5171756344828538
Energy: 1.1076018674897001
Energy: 1.0315722597848707
Energy: 1.0366317703525911
Energy: 1.0315226141383604
Energy: 1.1067456246107108
Energy: 1.5081441439333918
Energy: 1.0316153728302133
Energy: 1.0318977894523425
Energy: 1.0287377962516193
Energy: 1.0289541072814583
Energy: 1.0300716064850084
Energy: 1.5125217921198544
Energy: 1.0292967947310867
Energy: 1.029168329336426
Energy: 1.0318124944013058
Energy: 1.0321662060862904
Energy: 1.106712965316032
Energy: 1.2802691788091234
Energy: 1.0335319056696055
Energy: 1.0323982374711889
Energy: 1.0328916353734514
Energy: 1.0304126284486723
Energy: 1.2693086149504171
Energy: 1.0386010316733916
Energy: 1.1080226448066772
Energy: 1.0324253891430952
Energy: 1.0275010627094636
Energy: 1.0297390768562273
Energy: 1.031146916564244
Energy: 1.0500155482876044
Energy: 1.4451398591069375
Energy: 1.3582813342878373

minimum gb energy = 1.0275010627094636 eV
minimum distance =  2.20759698285021 Angstroms
sigma value = 41


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

Energy: 1.8995114424619088
Energy: 0.8432854809788782
Energy: 1.1631962047430475
Energy: 1.1669481671102713
Energy: 1.1631803841675186
Energy: 1.844179567110774
Energy: 1.4733954352787257
Energy: 0.9094182360575043
Energy: 0.9059803981227103
Energy: 1.1665253519381638
Energy: 0.9084200539489099
Energy: 0.9067340784745388
Energy: 1.1650375099668586
Energy: 0.90989628998325
Energy: 0.9101238147932448
Energy: 0.8469705500364273
Energy: 0.9091200898127628
Energy: 0.9061180197815442
Energy: 1.1682360150326985
Energy: 0.9112190299323061
Energy: 0.9055493867113037
Energy: 1.1715623204572863
Energy: 0.9092102681374129
Energy: 1.3583119623164723
Energy: 1.1670947753807228
Energy: 1.167762289843351
Energy: 0.9099989412342735
Energy: 1.1631707017641755
Energy: 0.9081258409774005
Energy: 1.167394674394613
Energy: 1.1663125643610788
Energy: 1.162488226288407
Energy: 1.1644936671845787
Energy: 1.1571072339810375
Energy: 1.1634171877784427
Energy: 1.1644421795743027
Energy: 1.4747337658229038
Energy: 1.167548020367685
Energy: 0.9055832401946804
Energy: 1.1700605129183084
Energy: 0.9072545371000988
Energy: 1.2241353015688363
Energy: 1.4745628586682091
Energy: 0.9102130321706202
Energy: 1.1654493744597751
Energy: 1.1720862486670496
Energy: 0.9088818709544982
Energy: 1.474598166876942
Energy: 1.1704318279796284
Energy: 0.9099747622877604
Energy: 0.9059701966112362
Energy: 0.8468536281655903
Energy: 0.9088505314732057
Energy: 0.9057853664389391
Energy: 1.167156285323805
Energy: 0.9097577653747101
Energy: 0.905996681123062
Energy: 1.1665276670277815
Energy: 0.9091096507834763
Energy: 0.9058762209610258
Energy: 1.1683162015260153
Energy: 0.9050317843749381
Energy: 0.9105779696987188
Energy: 1.168644417305874
Energy: 0.9104150063573923
Energy: 1.1688380674262178
Energy: 1.1696224276257627
Energy: 1.164953370451925
Energy: 0.910422498303305
Energy: 1.1566928070648643
Energy: 0.9077790415700271
Energy: 1.1648426607794902
Energy: 1.1709198543569392
Energy: 1.1650786637419728
Energy: 0.9104573679552543
Energy: 1.1620954618652515
Energy: 0.9081329443726951
Energy: 1.1616454127740758
Energy: 1.4756481704937319
Energy: 0.9051269410120332
Energy: 1.163667340265022
Energy: 1.1689822708292186
Energy: 0.9101069707304262
Energy: 1.4748494490321582

minimum gb energy = 0.8432854809788782 eV
minimum distance =  2.34172824020012 Angstroms
sigma value = 11


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

Energy: 1.165781783591593
Energy: 1.137635448143611
Energy: 1.3046503666700828
Energy: 1.3066466290569936
Energy: 1.2846470435081865
Energy: 1.1410122055964427
Energy: 1.1385911157481337
Energy: 1.1542169392315313
Energy: 1.1535969955821297
Energy: 1.2846487918933645
Energy: 1.3161156850671039
Energy: 1.267792306483257
Energy: 1.1537483638717054
Energy: 1.1539741602301063
Energy: 1.2240934006793505
Energy: 1.2190001196794744
Energy: 1.2247832539255605
Energy: 1.153760594722395
Energy: 1.1543190423983616
Energy: 1.1544203716353034
Energy: 1.224981518301013
Energy: 1.1529096250891782
Energy: 1.155102445444507
Energy: 1.1545169086891975
Energy: 1.154867950859346
Energy: 1.1542828701205128
Energy: 1.2910959233433543
Energy: 1.2576780215280037
Energy: 1.154758820732872
Energy: 1.154147628713167
Energy: 1.1530158009029823
Energy: 1.1544441273114436
Energy: 1.3371892813644215
Energy: 1.257360571132607
Energy: 1.337013075831028
Energy: 1.1535869849047407
Energy: 1.1380987448374997
Energy: 1.2916053054475747
Energy: 1.2572345687683546
Energy: 1.2574612787983352
Energy: 1.2455684162981406
Energy: 1.2110917210198762
Energy: 1.1379881002290093
Energy: 1.127652060808581
Energy: 1.1276168453012498
Energy: 1.1272946600169422
Energy: 1.1274919590763741
Energy: 1.138873563077723
Energy: 1.1557152255847858
Energy: 1.153722694232766
Energy: 1.3375996321122514
Energy: 1.140252563945658
Energy: 1.2904276675026367
Energy: 1.153666123189405
Energy: 1.214746919893351
Energy: 1.2153973660116644
Energy: 1.2910505490196624
Energy: 1.1397784758575464
Energy: 1.1544346158162468
Energy: 1.1541914918614309
Energy: 1.2144469675925542
Energy: 1.1273052094419722
Energy: 1.2024597783579274
Energy: 1.127131439895854
Energy: 1.2027968395776074
Energy: 1.2146762627982006
Energy: 1.2146398491156334
Energy: 1.2945334827236024
Energy: 1.225762675480638
Energy: 1.1589216056728564
Energy: 1.2025829738705254
Energy: 1.2154836315456754
Energy: 1.231232259703376
Energy: 1.224425312935194
Energy: 1.2258529540737233
Energy: 1.2256450468422078
Energy: 1.2251022353706125
Energy: 1.2327901499049214
Energy: 1.2211951766934246
Energy: 1.2034728902665202
Energy: 1.1268169099001413
Energy: 1.1280517238545067
Energy: 1.1271197398996704
Energy: 1.127017756208725
Energy: 1.2303444075235908
Energy: 1.1276097740477735
Energy: 1.1276788829858058
Energy: 1.1261270983850158
Energy: 1.1274044409715236
Energy: 1.1272047626663362
Energy: 1.233153856415598
Energy: 1.2307971423264348
Energy: 1.393836704549976
Energy: 1.1245821020510582
Energy: 1.2310064485376624
Energy: 1.2305874169724726
Energy: 1.2311459401095253
Energy: 1.127459136068527
Energy: 1.1274006586069234
Energy: 1.1263995266335287
Energy: 1.1276468561434898
Energy: 1.1277183005027864
Energy: 1.2194241832230934
Energy: 1.226017957491177
Energy: 1.1265840352926835
Energy: 1.1305023359751873
Energy: 1.1268529311542366
Energy: 1.1390042489838066
Energy: 1.2277353194957534
Energy: 1.1282525652416526
Energy: 1.12732888982443
Energy: 1.1284414327989492
Energy: 1.224797427920011
Energy: 1.2118515741358908
Energy: 1.2067516910923723
Energy: 1.3017481316525432
Energy: 1.2148170971516978
Energy: 1.2162371407441408
Energy: 1.214760114984077
Energy: 1.3083889144300564
Energy: 1.205591749516714
Energy: 1.2252157719846644
Energy: 1.1634979311867546
Energy: 1.158857952528556
Energy: 1.159630926249528
Energy: 1.2025223187133125
Energy: 1.2063084725204318
Energy: 1.147496955161427
Energy: 1.2792219659999788
Energy: 1.13801201448719
Energy: 1.2997434876182787
Energy: 1.1474332516966026
Energy: 1.1538049347073882
Energy: 1.1544028669147752
Energy: 1.2173072156936704
Energy: 1.2477457952991935
Energy: 1.147107930540849
Energy: 1.156814247646449
Energy: 1.1401881444928936
Energy: 1.1273569893517041
Energy: 1.1271230894194566
Energy: 1.1268469969647192
Energy: 1.2521436541932331
Energy: 1.2953614789850063
Energy: 1.1399202688699734
Energy: 1.2792178725775614
Energy: 1.2613253989469893
Energy: 1.1609589350346046
Energy: 1.2465550194314112
Energy: 1.2123456263981038
Energy: 1.1559449871044996
Energy: 1.2371199822721974
Energy: 1.26181077003773
Energy: 1.2624831229075184
Energy: 1.278545755891862
Energy: 1.1552466958866245
Energy: 1.1545792644610189
Energy: 1.1542252893328055
Energy: 1.2786346914379887
Energy: 1.2618762524127072
Energy: 1.299859994009217
Energy: 1.1555679274736737
Energy: 1.1564363538555773
Energy: 1.1565909847150073
Energy: 1.2358085605021385
Energy: 1.1598399106378154
Energy: 1.156392433609871
Energy: 1.1564190903613383
Energy: 1.1570731918997426
Energy: 1.1545733162940492
Energy: 1.2254659742032035
Energy: 1.2210834670492394
Energy: 1.154378195568823
Energy: 1.1542111693323527
Energy: 1.1563055585580093
Energy: 1.154918074979908
Energy: 1.3361734103994793
Energy: 1.285904346937107
Energy: 1.2239922259795133
Energy: 1.1539548055409865
Energy: 1.1368771814930456
Energy: 1.1552278624790362
Energy: 1.1597069129798256
Energy: 1.289216479682433
Energy: 1.1598099956679653
Energy: 1.1403761342916385

minimum gb energy = 1.1245821020510582 eV
minimum distance =  2.24721471115374 Angstroms
sigma value = 57


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

Energy: 2.3392558243869646
Energy: 1.2459281703065732
Energy: 1.2768576702749008
Energy: 1.275069853548152
Energy: 1.2768188756881116
Energy: 1.2455027091245592
Energy: 1.2635685322410444
Energy: 1.263050380110227
Energy: 1.2629005083270144
Energy: 1.2066746027075952
Energy: 1.2650277524068863
Energy: 1.206844885410575
Energy: 1.206526937371805
Energy: 1.2079625289056932
Energy: 1.2629583623366394
Energy: 1.1903466293210787
Energy: 1.2653247691840308
Energy: 1.2078282663902475
Energy: 1.207165067487212
Energy: 1.2080022163134256
Energy: 1.263653468966396
Energy: 1.2066592914413763
Energy: 1.2075320844592519
Energy: 1.2082553528033613
Energy: 1.2083017299344576
Energy: 1.207778346083579
Energy: 1.2623350325416471
Energy: 1.2066327254220404
Energy: 1.2632019243193757
Energy: 1.2082846533781335
Energy: 1.2064186290113317
Energy: 1.2635416066341782
Energy: 1.2630718841103927
Energy: 1.20671851285814
Energy: 1.2623236183953372
Energy: 1.2085065341198475
Energy: 1.2702837211990732
Energy: 1.2637113591011475
Energy: 1.2073254571408636
Energy: 1.2770902036497402
Energy: 1.207363075193725
Energy: 1.2625726988329549
Energy: 1.270137298792704
Energy: 1.2623844557888575
Energy: 1.2070153765479361
Energy: 1.285901472536815
Energy: 1.207492332834445
Energy: 1.2628537566197473
Energy: 1.2061896432503068
Energy: 1.2069877282004318
Energy: 1.1903643297183821
Energy: 1.189690187775946
Energy: 1.2626758752229212
Energy: 1.2087659384009568
Energy: 1.2775529649432782
Energy: 1.2070619868887762
Energy: 1.1909184902425132
Energy: 1.1895222133718415
Energy: 1.2625882295983408
Energy: 1.2072548076083722
Energy: 1.1897713696123713
Energy: 1.2628039806655431
Energy: 1.2072948064237066
Energy: 1.2065952841199328
Energy: 1.4140518843275856
Energy: 1.2629199317121707
Energy: 1.189613684813632
Energy: 1.2642329379190176
Energy: 1.2077477273821886
Energy: 1.2087517869655728
Energy: 1.2073767332655754
Energy: 1.262430689112973
Energy: 1.2086479989244758
Energy: 1.207263494910094
Energy: 1.2081166562924204
Energy: 1.2088122745452914
Energy: 1.207584418470501
Energy: 1.2071747669263968
Energy: 1.2065166029616994
Energy: 1.2632966538821266
Energy: 1.207687440135187
Energy: 1.2069049598012054
Energy: 1.206740116259469
Energy: 1.2635754017923793
Energy: 1.2069426543033783
Energy: 1.262718063539996
Energy: 1.2632842106477848
Energy: 1.2066648107917617
Energy: 1.2629817742503004
Energy: 1.2082470793094362
Energy: 1.2750518047649297
Energy: 1.275405322229591
Energy: 1.2093313813239936
Energy: 1.2036118248715315
Energy: 1.207148930552668
Energy: 1.2758293465919874
Energy: 1.2646534182967417
Energy: 1.2621142152546978
Energy: 1.2629277722627972
Energy: 1.2061227738396674
Energy: 1.264949955596736
Energy: 1.208236820619134

minimum gb energy = 1.1895222133718415 eV
minimum distance =  2.26765977863024 Angstroms
sigma value = 9


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

Energy: 2.5331533059283236
Energy: 1.3182727365287243
Energy: 1.3141893201606203
Energy: 1.3143857770578995
Energy: 1.3150768454304589
Energy: 1.3183810904255804
Energy: 1.3519140931976874
Energy: 1.4523573088372286
Energy: 1.306955856462962
Energy: 1.3309100226900739
Energy: 1.3510983657359574
Energy: 1.2955308780172246
Energy: 1.2825418100365216
Energy: 1.3004662107358662
Energy: 1.5592254253996412
Energy: 1.2557181991491837
Energy: 1.4514440755477473
Energy: 1.2825679076931396
Energy: 1.297582789148414
Energy: 1.2997636904478875
Energy: 1.447571125299909
Energy: 1.3071121306122326
Energy: 1.2822866159901196
Energy: 1.2989689490985503
Energy: 1.2828539674670885
Energy: 1.3629573558107124
Energy: 1.3645902698518784
Energy: 1.3011579224210723
Energy: 1.3632992664709804
Energy: 1.4462044954351958
Energy: 1.289610786735049
Energy: 1.3639747949548786
Energy: 1.2826750414491177
Energy: 1.298558314280885
Energy: 1.4509130501798182
Energy: 1.2884513367084878
Energy: 1.3311757481656254
Energy: 1.298668134890156
Energy: 1.2991266894019249
Energy: 1.299717333923962
Energy: 1.3022610410300122
Energy: 1.350924186875259
Energy: 1.3317708752352062
Energy: 1.335421169645774
Energy: 1.284279925122577
Energy: 1.2814526090981824
Energy: 1.4362460823779195
Energy: 1.3356635748068715
Energy: 1.3301821647888057
Energy: 1.3312728577906594
Energy: 1.3358657570583308
Energy: 1.3286390847858072
Energy: 1.4508433912852932
Energy: 1.3311938186148997
Energy: 1.3124917290213047
Energy: 1.2889315183561323
Energy: 1.3371025930815377
Energy: 1.3286001376365633
Energy: 1.450843017979627
Energy: 1.3132661048519687
Energy: 1.3587584377458903
Energy: 1.4507293133742836
Energy: 1.2845352609502796
Energy: 1.3126428378573527
Energy: 1.2894967190469
Energy: 1.284852098419584
Energy: 1.357219702832201
Energy: 1.3357437261294582
Energy: 1.3075724535555158
Energy: 1.3328450380302634
Energy: 1.3071924825965786
Energy: 1.3086447156680425
Energy: 1.28121088472336
Energy: 1.284749024826439
Energy: 1.3362323206679028
Energy: 1.2562260634438907
Energy: 1.4512691253507557
Energy: 1.2838740282230703
Energy: 1.3008165137069465
Energy: 1.301224361222799
Energy: 1.2993733039223803
Energy: 1.2838793542132774
Energy: 1.2991780997009499
Energy: 1.2994228229042744
Energy: 1.2811668925635464
Energy: 1.4489123262435089
Energy: 1.3644225820078915
Energy: 1.299949740505918
Energy: 1.3645489239051845
Energy: 1.2854756125546882
Energy: 1.298300723869772
Energy: 1.3635219917744985
Energy: 1.4575869068522032
Energy: 1.4474518477619438
Energy: 1.46106114772997
Energy: 1.2989048745200507
Energy: 1.3059729886010896
Energy: 1.2835080633537328
Energy: 1.299043398716494
Energy: 1.2998580419068826
Energy: 1.302530629421795
Energy: 1.282390499928565
Energy: 1.3214974810261266
Energy: 1.4511363304899398
Energy: 1.284134726875139
Energy: 1.281553603871851
Energy: 1.283527331998662
Energy: 1.4516398422627936
Energy: 1.3308514206647728
Energy: 1.2949990009592147
Energy: 1.298308762610713
Energy: 1.2881290962877971
Energy: 1.3512911658450835
Energy: 1.3078935412556436
Energy: 1.3130725249052009
Energy: 1.31422632900478
Energy: 1.3095343369367882
Energy: 1.3191932355491889
Energy: 1.2825657926217546
Energy: 1.314780272733547
Energy: 1.3568782437561946
Energy: 1.3514796002450136
Energy: 1.2829027231540224
Energy: 1.3125488435162607
Energy: 1.4527357499613236
Energy: 1.2950118745293826

minimum gb energy = 1.2557181991491837 eV
minimum distance =  2.26300028114582 Angstroms
sigma value = 27


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

Energy: 1.3464006806101192
Energy: 1.2782542976055717
Energy: 1.3145937899828253
Energy: 1.3157796546121323
Energy: 1.3146768995151854
Energy: 1.278435851060325
Energy: 1.312067323426008
Energy: 1.2707763095810114
Energy: 1.3123190544980927
Energy: 1.3264175175220638
Energy: 1.2693375299105532
Energy: 1.2980334436859775
Energy: 1.270039390085539
Energy: 1.2673265891924748
Energy: 1.62344101829797
Energy: 1.4819138877430056
Energy: 1.2667146967584428
Energy: 1.267236035379623
Energy: 1.2665352695971022
Energy: 1.2672604954468516
Energy: 1.3696957167125094
Energy: 1.2954896104776366
Energy: 1.425390723156134
Energy: 1.2681633802389534
Energy: 1.2645207667545102
Energy: 1.3762083712712012
Energy: 1.2795437860294523
Energy: 1.313732600786882
Energy: 1.3774905306364027
Energy: 1.5268082637101332
Energy: 1.2714256384052058
Energy: 1.4861150818380786
Energy: 1.2791984853287246
Energy: 1.2961777783252775
Energy: 1.3612005872513053
Energy: 1.2697723299908765
Energy: 1.2842991265174557
Energy: 1.3766586718582121
Energy: 1.3627397021949783
Energy: 1.2974542250638774
Energy: 1.3619071975393806
Energy: 1.2703731955685105
Energy: 1.2841146089227484
Energy: 1.378180713464193
Energy: 1.297145271990529
Energy: 1.2955945989566013
Energy: 1.3762290052834178
Energy: 1.2666775837670006
Energy: 1.2664362246332221
Energy: 1.2674261314506101
Energy: 1.2663975608555766
Energy: 1.3238263893058242
Energy: 1.2693983880718847
Energy: 1.2681668242663393
Energy: 1.266531449505721
Energy: 1.368888342579943
Energy: 1.3374734038793592
Energy: 1.3238130053190478
Energy: 1.2675517331710506
Energy: 1.3775415782005433
Energy: 1.3209807131956068
Energy: 1.4678620698838283
Energy: 1.3146961461023385
Energy: 1.3161841421861105
Energy: 1.3147530009245414
Energy: 1.2672171943328723
Energy: 1.320924908010639
Energy: 1.2699839812635192
Energy: 1.315043559965735
Energy: 1.3139330748763454
Energy: 1.280386821448459
Energy: 1.3119985715905977
Energy: 1.3136801058352974
Energy: 1.2688700328136846
Energy: 1.265594291540268
Energy: 1.2640390184746477
Energy: 1.2804330850036296
Energy: 1.3165280556511576
Energy: 1.313731421353827
Energy: 1.296560528415773
Energy: 1.2669248068088723
Energy: 1.3540962584694376
Energy: 1.2694033664031183
Energy: 1.2967356736326106
Energy: 1.264654770326151
Energy: 1.4678050640479652
Energy: 1.266539125930818
Energy: 1.2671653048108567
Energy: 1.3532969557343182
Energy: 1.6241491958321588
Energy: 1.2645758459396466
Energy: 1.26965198257821
Energy: 1.2718671400709343
Energy: 1.2694828999025358
Energy: 1.2661769983264393
Energy: 1.2815353334059547
Energy: 1.313163512633151
Energy: 1.3782358799680152
Energy: 1.5268330727607302
Energy: 1.2653492037058909
Energy: 1.526372703493147
Energy: 1.2803620190125475
Energy: 1.2963725002468565
Energy: 1.3636431139885536
Energy: 1.2692494044285494
Energy: 1.2672446692196777
Energy: 1.363577341390435
Energy: 1.3608543673916074
Energy: 1.295553421759337
Energy: 1.3627496208491106
Energy: 1.2703786659183944
Energy: 1.2668359554872723
Energy: 1.3632225886959026
Energy: 1.360811960003191
Energy: 1.3128072726367321
Energy: 1.3781732213166642
Energy: 1.5273537760501095
Energy: 1.2665072280375484
Energy: 1.5271263831897217
Energy: 1.2802475210146076
Energy: 1.3236174170943027
Energy: 1.3754578687401473
Energy: 1.2706557616773728
Energy: 1.2695119866540425
Energy: 1.2670198153949719
Energy: 1.2987136327091624
Energy: 1.263978357063821
Energy: 1.4675934255654173
Energy: 1.266726544182283
Energy: 1.2670122540930602
Energy: 1.2666040886046324
Energy: 1.4678396705280397
Energy: 1.3142301658587987
Energy: 1.2796804504922812
Energy: 1.2674680155432667
Energy: 1.32131629600098
Energy: 1.2696804307583582
Energy: 1.3149009168425199
Energy: 1.3140820726028923
Energy: 1.3936825851683765
Energy: 1.465296408436583
Energy: 1.3211300042685221
Energy: 1.2800361245723615
Energy: 1.3164811677019836
Energy: 1.353629851792635
Energy: 1.3380586567417228
Energy: 1.2796289611734555
Energy: 1.3137909467298363
Energy: 1.2808732128120734
Energy: 1.2659029144097322

minimum gb energy = 1.263978357063821 eV
minimum distance =  2.2839768900247 Angstroms
sigma value = 19


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

Energy: 1.3967048879958874
Energy: 1.279168996530346
Energy: 1.3122817089906327
Energy: 1.3120531278537875
Energy: 1.3123791174435557
Energy: 1.2793933133980409
Energy: 1.2681391547889762
Energy: 1.2616912313863733
Energy: 1.314717956208354
Energy: 1.312329416324037
Energy: 1.329942134189131
Energy: 1.273737052730244
Energy: 1.2613061711286246
Energy: 1.2621400590174676
Energy: 1.2529256811639322
Energy: 1.2529673455642623
Energy: 1.2618839142323401
Energy: 1.2633572392183383
Energy: 1.2615667768130525
Energy: 1.2615963189241488
Energy: 1.2963511032930035
Energy: 1.27389043591829
Energy: 1.2763877438661555
Energy: 1.2616420477599246
Energy: 1.2545710253618225
Energy: 1.3851634697550557
Energy: 1.26469740321863
Energy: 1.2774899523642296
Energy: 1.3520211064483654
Energy: 1.3913239529203736
Energy: 1.2644184984307216
Energy: 1.268058116669647
Energy: 1.2768430775334623
Energy: 1.2773531006773622
Energy: 1.336451187944192
Energy: 1.265728904922068
Energy: 1.271146858035452
Energy: 1.4209472810496309
Energy: 1.4344289658602645
Energy: 1.3921540406423638
Energy: 1.4356484816174486
Energy: 1.4002794071822917
Energy: 1.2712633628316268
Energy: 1.4003670818452036
Energy: 1.264446299832146
Energy: 1.2657771525642354
Energy: 1.277135277465935
Energy: 1.27206754451396
Energy: 1.2685723612273234
Energy: 1.3244429067895809
Energy: 1.3227484579264301
Energy: 1.2635034865967125
Energy: 1.3231447849795526
Energy: 1.3223781781404746
Energy: 1.2711372599615036
Energy: 1.2721460117419545
Energy: 1.2632812511526572
Energy: 1.2638234838691123
Energy: 1.3224638165904306
Energy: 1.2721623073857802
Energy: 1.2643322043177292
Energy: 1.264959726081255
Energy: 1.2661657380629603
Energy: 1.2634248329760505
Energy: 1.2659372759685785
Energy: 1.2647319075118
Energy: 1.3126052456675565
Energy: 1.2613785268778055
Energy: 1.251236876594639
Energy: 1.259853087638911
Energy: 1.251761838309751
Energy: 1.3134568083031213
Energy: 1.312415892862021
Energy: 1.3131596532998517
Energy: 1.2528027091060456
Energy: 1.3293864249274834
Energy: 1.2717857904257346
Energy: 1.3129382875712652
Energy: 1.3120061974235033
Energy: 1.2271234142255985
Energy: 1.2512979771526338
Energy: 1.327285660980144
Energy: 1.2262710929129486
Energy: 1.3126685843450665
Energy: 1.2502174097248124
Energy: 1.2514420264637383
Energy: 1.2595682555739884
Energy: 1.2600036231738871
Energy: 1.26086222095647
Energy: 1.2522991828403756
Energy: 1.3258089986383645
Energy: 1.2521525224222185
Energy: 1.2520746789986745
Energy: 1.2600203341140794
Energy: 1.2519773977305861
Energy: 1.2611396668571435
Energy: 1.2606726408480564
Energy: 1.2610412262473372
Energy: 1.2526481272030459
Energy: 1.2894336763236696
Energy: 1.2422543862147675
Energy: 1.2606212823801328
Energy: 1.2620610687685279
Energy: 1.2626518124942538
Energy: 1.2517177830471702
Energy: 1.27391202879485
Energy: 1.2269088971507447
Energy: 1.2631752449782299
Energy: 1.2544431890761323
Energy: 1.3829041461501697
Energy: 1.2722273366931351
Energy: 1.2720024114178123
Energy: 1.262044613387734
Energy: 1.3374857168944998
Energy: 1.2623570822885468
Energy: 1.2268563394329557
Energy: 1.335181245735667
Energy: 1.2648178721000725
Energy: 1.2635388582684501
Energy: 1.2690272714771378
Energy: 1.268815593355836
Energy: 1.3782311988124187
Energy: 1.4501258138741324
Energy: 1.2606349451593801
Energy: 1.4489263476452507
Energy: 1.270157652198466
Energy: 1.2708936899279586
Energy: 1.4308151794335853
Energy: 1.2764556197887122
Energy: 1.2817398749040787
Energy: 1.4150384612458888
Energy: 1.4319797081602725
Energy: 1.268594705585546
Energy: 1.268889235739907
Energy: 1.2763426626922834
Energy: 1.2622302122023912
Energy: 1.33820188772284
Energy: 1.2690204045161058
Energy: 1.2685936874896793
Energy: 1.2690826235984627
Energy: 1.3848812553987335
Energy: 1.2618048318307293
Energy: 1.3787643044131628
Energy: 1.2689989254742629
Energy: 1.3246749699976834
Energy: 1.2615374530325607
Energy: 1.2646067052726757
Energy: 1.2649953583847056
Energy: 1.264389427093122
Energy: 1.2698766615201131
Energy: 1.2665624284542507
Energy: 1.2646117666751737
Energy: 1.2613922649436422
Energy: 1.2613499515436897
Energy: 1.361536590037417
Energy: 1.3757069801265203
Energy: 1.3130120156457408
Energy: 1.313737503185046
Energy: 1.3781573529809654
Energy: 1.3269362624305285
Energy: 1.2616852552105955
Energy: 1.314071690860822
Energy: 1.3120502582526672
Energy: 1.3518221725230006
Energy: 1.2529464539473538
Energy: 1.3271939113464095
Energy: 1.2737945394937766
Energy: 1.3124035308512576
Energy: 1.2886243482709887
Energy: 1.2612356258913537
Energy: 1.2983365106972342
Energy: 1.3127919140226776
Energy: 1.2984233295848209
Energy: 1.297719315251868

minimum gb energy = 1.2262710929129486 eV
minimum distance =  2.26831719674601 Angstroms
sigma value = 101


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

Energy: 1.2607199296054885
Energy: 1.1950251709169708
Energy: 1.245664041835891
Energy: 1.2657894609683489
Energy: 1.2462610263038403
Energy: 1.6200278745912102
Energy: 1.2477850608031578
Energy: 1.2044882079789185
Energy: 1.2421322885145532
Energy: 1.2630358784759241
Energy: 1.2161493108982457
Energy: 1.1989314930065555
Energy: 1.2006342188774455
Energy: 1.2038130554125865
Energy: 1.1939048012341116
Energy: 1.1950267494239124
Energy: 1.2062859658254508
Energy: 1.2036030150322405
Energy: 1.2161181153543115
Energy: 1.2155252441624749
Energy: 1.2042941633685862
Energy: 1.2211532689345452
Energy: 1.2033406961676563
Energy: 1.2172688772046958
Energy: 1.1941672337251
Energy: 1.2003543147308735
Energy: 1.200581745760064
Energy: 1.1993551989198867
Energy: 1.1990367312487804
Energy: 1.4414375180975851
Energy: 1.2151080266982903
Energy: 1.204008438023957
Energy: 1.1995586984873594
Energy: 1.1979342647944522
Energy: 1.197405204692976
Energy: 1.2167489731504118
Energy: 1.2035524299227098
Energy: 1.3009094045310416
Energy: 1.3117597413844235
Energy: 1.4073655206504865
Energy: 1.3024946984082357
Energy: 1.3012699856978402
Energy: 1.204253254063875
Energy: 1.3025123590613206
Energy: 1.1981299108995702
Energy: 1.1993732374243684
Energy: 1.1977251159666888
Energy: 1.2043525246068585
Energy: 1.2161002426495315
Energy: 1.3601840916283137
Energy: 1.3090530789976949
Energy: 1.1980631177617014
Energy: 1.3092528189103565
Energy: 1.300034487149401
Energy: 1.2158147053501442
Energy: 1.2035457860157004
Energy: 1.1983638515300197
Energy: 1.197990334328817
Energy: 1.3096049420241918
Energy: 1.204763875421102
Energy: 1.199960150045472
Energy: 1.1982166536855123
Energy: 1.1982520330207849
Energy: 1.2012176666434822
Energy: 1.1996531637926622
Energy: 1.2003597069067213
Energy: 1.2143563777655801
Energy: 1.3170008684407863
Energy: 1.3072804460837184
Energy: 1.1972474478330375
Energy: 1.2003641730576162
Energy: 1.2007133083081567
Energy: 1.2153642275507832
Energy: 1.2158624276163679
Energy: 1.2018316069350403
Energy: 1.1985539644627872
Energy: 1.205161777790379
Energy: 1.2158393322807957
Energy: 1.1995906587451692
Energy: 1.2161842586545393
Energy: 1.1981696559197481
Energy: 1.2124988133691446
Energy: 1.2158742992038722
Energy: 1.3330020530804922
Energy: 1.2599479895749808
Energy: 1.1985342854404666
Energy: 1.2626241493801276
Energy: 1.2638557628991638
Energy: 1.2457450762254016
Energy: 1.2021054163812677
Energy: 1.26829250725845
Energy: 1.2729282786504519
Energy: 1.2454045315360451
Energy: 1.2447499956359533
Energy: 1.1986223471686568
Energy: 1.2715091607642939
Energy: 1.244318699428372
Energy: 1.2459341564117725
Energy: 1.1941794521734002
Energy: 1.1943040147130088
Energy: 1.2902225641736764
Energy: 1.245650039809622
Energy: 1.2621251650308716
Energy: 1.1988525513991255
Energy: 1.2044776692347179
Energy: 1.2915170081352336
Energy: 1.2161514492368006
Energy: 1.2220881865290327
Energy: 1.1948606645858826
Energy: 1.1999595435553723
Energy: 1.2041228376436743
Energy: 1.2006474672313727
Energy: 1.2037457214355434
Energy: 1.194047605964882
Energy: 1.235136967626015
Energy: 1.2037061487901322
Energy: 1.2165883636367403
Energy: 1.215454996240138
Energy: 1.2159709556085923
Energy: 1.2167778293413374
Energy: 1.1974937758013426
Energy: 1.2005255391183092
Energy: 1.197474886130298
Energy: 1.1951550612084814
Energy: 1.2013196967001614
Energy: 1.2011619467078323
Energy: 1.1980209129064496
Energy: 1.198784636742694
Energy: 1.2040995350408625
Energy: 1.2152948625839797
Energy: 1.2005664180463531
Energy: 1.19861341854181
Energy: 1.2209241035698233
Energy: 1.4074582656599297
Energy: 1.2041861643449714
Energy: 1.2050242660074653
Energy: 1.309022727628598
Energy: 1.4079989699064865
Energy: 1.1977501098109054
Energy: 1.1977457523880108
Energy: 1.3011382456146565
Energy: 1.2040325820679794
Energy: 1.300062058687714
Energy: 1.1997264180222993
Energy: 1.197471242158674
Energy: 1.3081069517976622
Energy: 1.3006564924533217
Energy: 1.2039865490730652
Energy: 1.3003542548562694
Energy: 1.1977440270968132
Energy: 1.1980598574913248
Energy: 1.31092347799335
Energy: 1.2038103220625422
Energy: 1.205305980701606
Energy: 1.2048453950116937
Energy: 1.3108232258195294
Energy: 1.1982925536561693
Energy: 1.1990846921885785
Energy: 1.1981967062030279
Energy: 1.2146529280180147
Energy: 1.2012180977769162
Energy: 1.1976614346552537
Energy: 1.1976594870572492
Energy: 1.2006175073298393
Energy: 1.1985817827572762
Energy: 1.2005699532738148
Energy: 1.1981976254071958
Energy: 1.1976101172142597
Energy: 1.2128256693644486
Energy: 1.2008551407917147
Energy: 1.2161445313896533
Energy: 1.2155809501427055
Energy: 1.216542266234042
Energy: 1.2000504741374531
Energy: 1.1985451426822742
Energy: 1.2058096082138559
Energy: 1.2656291062399798
Energy: 1.201410161535269
Energy: 1.3564488804060528
Energy: 1.2046631448585179
Energy: 1.2626639340134356
Energy: 1.2635111977191678
Energy: 1.200783696383543
Energy: 1.2611035523870437
Energy: 1.197741131140661
Energy: 1.2632652381634197
Energy: 1.2443828991115777
Energy: 1.3376973884044958
Energy: 1.2141923373319519
Energy: 1.2607467028289652
Energy: 1.1980527358485766
Energy: 1.2452841815677411
Energy: 1.2291304399108698
Energy: 1.2001722300942506
Energy: 1.2924628975994898
Energy: 1.2446641322939254
Energy: 1.2900680649729421
Energy: 1.213700891879978

minimum gb energy = 1.1939048012341116 eV
minimum distance =  2.27075770419385 Angstroms
sigma value = 33


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

Energy: 0.014918055981982762
Energy: 0.015496375758537474
Energy: 0.09444473882290054
Energy: 0.09417595822013783
Energy: 0.09603595811663637
Energy: 0.01557241146857779
Energy: 0.015129672482788428
Energy: 0.1090377975909722
Energy: 0.1093311593153823
Energy: 0.10998841365032982
Energy: 0.10898384421660173
Energy: 0.10938754704635233
Energy: 0.94732257233735
Energy: 0.09481043613672283
Energy: 0.015548667426131549
Energy: 0.016934598467149814
Energy: 0.09520314142430757
Energy: 0.09437971285661115
Energy: 0.10911950691156916
Energy: 0.1090377975909722
Energy: 0.10933115931604981
Energy: 0.10998841365032982
Energy: 0.10898384421593424
Energy: 0.10938754704568482

minimum gb energy = 0.014918055981982762 eV
minimum distance =  2.45281937569878 Angstroms
sigma value = 1