Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_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=2.863645806908607
cohesive_energy=4.290547129760511
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, 6.23736976676004e-19, 6.35899099504698e-19, 6.465183262348499e-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: 0.0131858229049483
Energy: 0.0135693588009179
Energy: 0.22533357964622905
Energy: 0.22541436471978313
Energy: 0.22674330077187457
Energy: 0.013251185046202105
Energy: 0.0135693588009179
Energy: 1.1064982690315899
Energy: 0.22547999543898065
Energy: 0.2253516931766124
Energy: 0.22542776466341685
Energy: 0.22541848131209177
Energy: 0.22533357964622905
Energy: 0.22547999543898065
Energy: 1.107453975344665
Energy: 0.013444537854317366
Energy: 0.22542841171285477
Energy: 0.22553139433295105
Energy: 0.22541436471978313
Energy: 0.2253516931766124
Energy: 0.013444537854317366
Energy: 0.013335442568840825
Energy: 0.225826585845408
Energy: 0.22540153267069138
Energy: 0.22674330077187457
Energy: 0.22542776466341685
Energy: 0.22542841171285477
Energy: 0.225826585845408
Energy: 1.1062931742662774
Energy: 0.2253788950518485
Energy: 0.013251185046202105
Energy: 0.22541848131209177
Energy: 0.22553139433295105
Energy: 0.22540153267116336
Energy: 0.2253788950518485
Energy: 0.013350339600866611

minimum gb energy = 0.0131858229049483 eV
minimum distance =  2.47891513176016 Angstroms
sigma value = 1


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

Energy: 2.11175190310749
Energy: 1.2456369248086152
Energy: 1.271417641125203
Energy: 1.292865782530866
Energy: 1.2703132467149034
Energy: 1.2458456730347087
Energy: 1.2447369121953116
Energy: 1.2945734128460404
Energy: 1.2714263273062865
Energy: 1.313248747828512
Energy: 1.2683039935779257
Energy: 1.2657906531775087
Energy: 1.305235290326703
Energy: 1.2650217488889421
Energy: 1.2953336718852981
Energy: 1.2748615080138144
Energy: 1.2683339411085972
Energy: 1.2649838984008428
Energy: 1.2990776272421585
Energy: 1.2631896425569833
Energy: 1.2585041679939515
Energy: 1.280740803381107
Energy: 1.2628839104786673
Energy: 1.2606045001025536
Energy: 1.3065155515363116
Energy: 1.2632629770684665
Energy: 1.2646114888223217
Energy: 1.2022529596374893
Energy: 1.2763105232478458
Energy: 1.2637233187461236
Energy: 1.319362265955449
Energy: 1.2768904487049597
Energy: 1.2803006874295129
Energy: 1.2633503742351517
Energy: 1.2789779022533192
Energy: 1.2771773707547827
Energy: 1.3184804568220185
Energy: 1.277758618872506
Energy: 1.279602626242531
Energy: 1.336039490399115
Energy: 1.2786152644983815
Energy: 1.2778762776381218
Energy: 1.3145283508281647
Energy: 1.2321309493456805
Energy: 1.2304152297386537
Energy: 1.2032455435103748
Energy: 1.27755882970304
Energy: 1.2621514803733913
Energy: 1.2317643062375658
Energy: 1.293449940369218
Energy: 1.296066878302535
Energy: 1.2005781383405392
Energy: 1.2942584043385952
Energy: 1.251024261196392
Energy: 1.2305942273440245
Energy: 1.2929125710998546
Energy: 1.2948811051101992
Energy: 1.2014692248891718
Energy: 1.293327728201563
Energy: 1.2666280436624855
Energy: 1.313184390820536
Energy: 1.3015971966248976
Energy: 1.1995011171726284
Energy: 1.2007641948327725
Energy: 1.199970592428425
Energy: 1.230759811481035
Energy: 1.3186587243320118
Energy: 1.2334293836273467
Energy: 1.2324292832233814
Energy: 1.2952735910365647
Energy: 1.232504396185658
Energy: 1.2341018912695283
Energy: 1.3399897655714006
Energy: 1.2338857069208276
Energy: 1.2325344930534823
Energy: 1.296298259991191
Energy: 1.2326441346712562
Energy: 1.2342502695825945
Energy: 1.339978696649143
Energy: 1.2354324109685157
Energy: 1.1996982491069113
Energy: 1.200178237643678
Energy: 1.200136675230449
Energy: 1.2350204551984145
Energy: 1.2759692971979837
Energy: 1.2684863202318961
Energy: 1.268567639732666
Energy: 1.2019875776892617
Energy: 1.2684918944422012
Energy: 1.2585713502352214
Energy: 1.2769570368957919
Energy: 1.275850657007349
Energy: 1.2697472984204459
Energy: 1.2084718195177346
Energy: 1.2697671273115803
Energy: 1.2335087356925925
Energy: 1.2932246198679695
Energy: 1.2342399917373041
Energy: 1.2082205006683953
Energy: 1.2077243193276554
Energy: 1.2779574812012378
Energy: 1.2711395955699016
Energy: 1.320227567176604
Energy: 1.2793127815600673
Energy: 1.2785309469827728
Energy: 1.2780592210881465
Energy: 1.278432593700199
Energy: 1.2786632160773372
Energy: 1.31779130896202
Energy: 1.2788139549522433
Energy: 1.290732243315317
Energy: 1.2810497827865905
Energy: 1.2784576516017436
Energy: 1.277488408928382
Energy: 1.304496745529368
Energy: 1.284788992911709
Energy: 1.237354136531975
Energy: 1.2011644336735288
Energy: 1.2951214367588766
Energy: 1.2649039281760035
Energy: 1.304810621913235
Energy: 1.2839089391790977
Energy: 1.2665610173502309
Energy: 1.308786744595778
Energy: 1.2831609322709967
Energy: 1.300583903195825
Energy: 1.343233460759275
Energy: 1.2848054688505812
Energy: 1.2840450784052944
Energy: 1.232472696209706
Energy: 1.2841050804279301
Energy: 1.2707433114178306
Energy: 1.2765848718281754
Energy: 1.2946020192499748
Energy: 1.2692161745770798
Energy: 1.290601357329041
Energy: 1.2684693543710457
Energy: 1.2657215526717434

minimum gb energy = 1.1995011171726284 eV
minimum distance =  2.24663126983825 Angstroms
sigma value = 33


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

Energy: 2.5513604489848274
Energy: 1.3036286881378947
Energy: 1.2943708581054618
Energy: 1.2855103529426233
Energy: 1.2941217230579205
Energy: 1.302888601174366
Energy: 1.4448977758178563
Energy: 1.3040347185132921
Energy: 1.2871065435498907
Energy: 1.2926069767877704
Energy: 1.2852207106915565
Energy: 1.306072852266275
Energy: 1.3801796745628028
Energy: 1.304132132094545
Energy: 1.341748802861737
Energy: 1.2707150159945793
Energy: 1.3043109292947932
Energy: 1.304588917898696
Energy: 1.3547608088025243
Energy: 1.303538765563902
Energy: 1.3027708700311782
Energy: 1.3734562945857507
Energy: 1.3026431073435591
Energy: 1.3036357020713887
Energy: 1.384702153141778
Energy: 1.3031643685691643
Energy: 1.2800926365322514
Energy: 1.3834590004695249
Energy: 1.3175932522927714
Energy: 1.3037467759749135
Energy: 1.2829570262863466
Energy: 1.313319110559685
Energy: 1.3136468516782043
Energy: 1.2813784154220973
Energy: 1.3146775190910331
Energy: 1.3132090808025914
Energy: 1.2825311427243027
Energy: 1.3139982586941827
Energy: 1.3138735625393099
Energy: 1.311161652112016
Energy: 1.3138194293042473
Energy: 1.3133175237871706
Energy: 1.3075542528310027
Energy: 1.281991312699745
Energy: 1.2824971569825643
Energy: 1.2810847208810998
Energy: 1.3142135821889858
Energy: 1.2814501420184234
Energy: 1.2900224598511425
Energy: 1.3041352483679403
Energy: 1.3051649907430127
Energy: 1.3566133121952648
Energy: 1.3036869773799973
Energy: 1.3168418273610858
Energy: 1.252907377898897
Energy: 1.3026642446670254
Energy: 1.3036518285629266
Energy: 1.3313446558344408
Energy: 1.3027156274509735
Energy: 1.299478279030338
Energy: 1.3510320755936456
Energy: 1.28150773211534
Energy: 1.3040644957852974
Energy: 1.3672679963651706
Energy: 1.302691704038943
Energy: 1.280148675784105
Energy: 1.2802148618580858
Energy: 1.2804464863001952
Energy: 1.2812940319628043
Energy: 1.2688549669786475
Energy: 1.2805151328679492
Energy: 1.280588284805611
Energy: 1.2707171213995132
Energy: 1.2803321448569804
Energy: 1.2814653631113389
Energy: 1.261030028611393
Energy: 1.2809236061915696
Energy: 1.2803584206417844
Energy: 1.2812620333692897
Energy: 1.2526872517211862
Energy: 1.3039615800475068
Energy: 1.3780963712256138
Energy: 1.3030174765697002
Energy: 1.281282240906336
Energy: 1.2791358777336423
Energy: 1.3076210846140552
Energy: 1.3086153389323656
Energy: 1.3312811395424524
Energy: 1.3085584869790086
Energy: 1.30756189153145
Energy: 1.273265317858621
Energy: 1.3083027076306746
Energy: 1.3089412453405316
Energy: 1.3564547792552009
Energy: 1.3093138444469734
Energy: 1.3517905536760377
Energy: 1.2813095052621213
Energy: 1.2530457142591396
Energy: 1.304161779850048
Energy: 1.306929601336766
Energy: 1.3087604372478077
Energy: 1.2528144534445507
Energy: 1.25504111093553
Energy: 1.3075090253739476
Energy: 1.3079557892167761
Energy: 1.398724837588692
Energy: 1.3081017857821386
Energy: 1.3100355655004234
Energy: 1.252740607024897
Energy: 1.3078187730304105
Energy: 1.3084806157487658
Energy: 1.3026667775868404
Energy: 1.3085425510961979
Energy: 1.3076232286841918
Energy: 1.2816399361437094
Energy: 1.280554642837495
Energy: 1.3044193790470975
Energy: 1.3844482076461413
Energy: 1.3026404163493843
Energy: 1.2814503413380156
Energy: 1.272730414725521
Energy: 1.2813144973262887
Energy: 1.2966946877408128
Energy: 1.253433445192563
Energy: 1.2808466446325868
Energy: 1.2814365300893704
Energy: 1.2808522348333449
Energy: 1.2824982137459215
Energy: 1.306340731608144
Energy: 1.2781339695029372
Energy: 1.283839545768574
Energy: 1.282628905890745
Energy: 1.3824602728136766
Energy: 1.3444587658340155
Energy: 1.3075354051295036
Energy: 1.3783355016801906
Energy: 1.3067571230675474
Energy: 1.3087904522879463
Energy: 1.252424303769715
Energy: 1.3045596834470106
Energy: 1.3070712005506753
Energy: 1.3267645968686805
Energy: 1.3052685782061773
Energy: 1.3099529866307473
Energy: 1.3545666609538558
Energy: 1.3195223072345752
Energy: 1.3048377278616548
Energy: 1.326816709155771
Energy: 1.3041572062836904
Energy: 1.3102910005704318
Energy: 1.28061681028581
Energy: 1.3133733460638404
Energy: 1.3131771818668199
Energy: 1.2806641999049948
Energy: 1.3136267338801946
Energy: 1.2839677229521766
Energy: 1.288059535120566
Energy: 1.3137317639442871
Energy: 1.3136111734121665
Energy: 1.3167462117686528
Energy: 1.3135747148893546
Energy: 1.3132579606855066
Energy: 1.281388948965484
Energy: 1.3138357017490891
Energy: 1.2873929446619683
Energy: 1.2837066453322732
Energy: 1.3146843017196859
Energy: 1.2809375619373538
Energy: 1.3568202922900874
Energy: 1.3069035189122498
Energy: 1.3210450369001188
Energy: 1.280008848976999
Energy: 1.3069517535477813
Energy: 1.3065376867773717
Energy: 1.3558858097891835
Energy: 1.3058772447759253
Energy: 1.300211501400541
Energy: 1.312901335824698
Energy: 1.3042657341019472
Energy: 1.3056780291964598
Energy: 1.3678290998613165
Energy: 1.3038065503845107
Energy: 1.3060436247149987
Energy: 1.3503936200747029
Energy: 1.307007413846083
Energy: 1.305465499259032
Energy: 1.3540109411373924
Energy: 1.2829240318343056
Energy: 1.2815594096819298
Energy: 1.282287586856254
Energy: 1.2813336878302295
Energy: 1.3174216636383742
Energy: 1.2620801981127823
Energy: 1.2804715811311003
Energy: 1.2801836622261238
Energy: 1.2717468087079764
Energy: 1.2802545699379828
Energy: 1.3027197550244107
Energy: 1.3855865716528342
Energy: 1.3028491920070484
Energy: 1.2800957533097277
Energy: 1.2818419287260863
Energy: 1.280892574588909
Energy: 1.3034571986784023
Energy: 1.3842366342323025
Energy: 1.308090927110439
Energy: 1.3074812499175992
Energy: 1.2791275273115164
Energy: 1.3075623928124314
Energy: 1.3076971214389685
Energy: 1.3564644554286296
Energy: 1.308101335741018
Energy: 1.3076799219394242
Energy: 1.272371374502637
Energy: 1.3075880424075828
Energy: 1.3419324993558488
Energy: 1.3782051281031917
Energy: 1.3033235733242092
Energy: 1.2527753306866296
Energy: 1.2524405685427697
Energy: 1.2528574147940417
Energy: 1.3061837281442963
Energy: 1.3566321852441412
Energy: 1.3086177050430678
Energy: 1.3078194461790746
Energy: 1.2538792347352832
Energy: 1.308039226749691
Energy: 1.3082556711423228
Energy: 1.3838563544339968
Energy: 1.308044337980726
Energy: 1.3077149748133134
Energy: 1.2517857392796736
Energy: 1.307453515207906
Energy: 1.3077107654414468
Energy: 1.3855201273693547
Energy: 1.3025031255926398
Energy: 1.2805710243813917
Energy: 1.2815391290478644
Energy: 1.2806638302183304
Energy: 1.3030933932544806
Energy: 1.2779465076031664
Energy: 1.280726482404111
Energy: 1.2805630863664557
Energy: 1.2710711079701038
Energy: 1.2806538624693509
Energy: 1.301132279651957

minimum gb energy = 1.2517857392796736 eV
minimum distance =  2.24106303073931 Angstroms
sigma value = 51


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

Energy: 2.666305942766827
Energy: 1.3416805314174334
Energy: 1.3883647595409299
Energy: 1.379616117339789
Energy: 1.3882168878659091
Energy: 1.3408402512898212
Energy: 1.3126736222762112
Energy: 1.4002409439134094
Energy: 1.3771695206885544
Energy: 1.3729343830016283
Energy: 1.4103060556953844
Energy: 1.3786784005786108
Energy: 1.2485759523187319
Energy: 1.3745874717204287
Energy: 1.3999433248926563
Energy: 1.4894537403505748
Energy: 1.3748005849338254
Energy: 1.3740162169680854
Energy: 1.423142290904665
Energy: 1.3749404057907333
Energy: 1.3741284390963246
Energy: 1.3285422944861418
Energy: 1.3740950672590413
Energy: 1.376772796377886
Energy: 1.278709736995036
Energy: 1.3756807711026424
Energy: 1.3152383955443285
Energy: 1.3744856431327093
Energy: 1.316191206263167
Energy: 1.3738944874968633
Energy: 1.2482402348671873
Energy: 1.405532531872159
Energy: 1.315111712729197
Energy: 1.372110829713142
Energy: 1.4051704173885182
Energy: 1.4067918611472192
Energy: 1.2457658714568354
Energy: 1.4062530726980365
Energy: 1.405636222405411
Energy: 1.5028483392607024
Energy: 1.4060124753418373
Energy: 1.4056098521010834
Energy: 1.2454835302269527
Energy: 1.2454909745067864
Energy: 1.314882339525508
Energy: 1.372119957532976
Energy: 1.4848256267785684
Energy: 1.2457585715539155
Energy: 1.2460352450365828
Energy: 1.3129589918012698
Energy: 1.3135712913481359
Energy: 1.4924647985999917
Energy: 1.3139713388279528
Energy: 1.404479326815817
Energy: 1.2487503019888913
Energy: 1.3125718649452454
Energy: 1.3141192884059432
Energy: 1.3125690503124139
Energy: 1.3145729745534371
Energy: 1.3121798202967594
Energy: 1.2455145117195499
Energy: 1.2451440077390856
Energy: 1.3163064988144881
Energy: 1.3805276865820189
Energy: 1.3168556518831402
Energy: 1.2459533877966624
Energy: 1.2446450349865348
Energy: 1.3751213278897445
Energy: 1.3752718841115683
Energy: 1.3282902782715693
Energy: 1.375176673440287
Energy: 1.24492848255446
Energy: 1.245929189504576
Energy: 1.375373073314716
Energy: 1.3754899206924047
Energy: 1.3285454577941045
Energy: 1.3750512091102227
Energy: 1.3753342822482268
Energy: 1.2441276096222418
Energy: 1.3810462373833081
Energy: 1.3169764173236864
Energy: 1.3773861581823752
Energy: 1.3159003627856085
Energy: 1.245115976411944
Energy: 1.2454157308412412
Energy: 1.3954087803042257
Energy: 1.3958602229625314
Energy: 1.3325997853739608
Energy: 1.3957996905176757
Energy: 1.4298253713544338
Energy: 1.2496037759275536
Energy: 1.3955960211335816
Energy: 1.3962785899444539
Energy: 1.4853045285236957
Energy: 1.395873814322896
Energy: 1.373912154466021
Energy: 1.2595902488939053
Energy: 1.375652796051856
Energy: 1.4081767426802354
Energy: 1.3830576386317317
Energy: 1.3154646400517824
Energy: 1.3953640155312694
Energy: 1.3109986476800535
Energy: 1.4139440719192362
Energy: 1.3717575439012555
Energy: 1.4500777887028882
Energy: 1.371841978673853
Energy: 1.332573232732409

minimum gb energy = 1.2441276096222418 eV
minimum distance =  2.23133989917885 Angstroms
sigma value = 19


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

Energy: 2.1547560249100663
Energy: 1.3945223328260494
Energy: 1.3395306695625655
Energy: 1.3401117148335433
Energy: 1.3779806311530118
Energy: 1.3946772115891901
Energy: 1.2838648837941098
Energy: 1.3859259033309153
Energy: 1.3402560211430368
Energy: 1.319146288015817
Energy: 1.339509563315865
Energy: 1.3858875876173014
Energy: 1.351606354948275
Energy: 1.3845733245052432
Energy: 1.383558703018509
Energy: 1.3166928970413898
Energy: 1.384053041997257
Energy: 1.3837041056058286
Energy: 1.5562171694321911
Energy: 1.3857895047194186
Energy: 1.3841845573955887
Energy: 1.4046901369623177
Energy: 1.38479039214051
Energy: 1.3863626379251137
Energy: 1.3515177441484714
Energy: 1.4012721275858104
Energy: 1.368906649522846
Energy: 1.3186630982880667
Energy: 1.4039013588429334
Energy: 1.3880789036396581
Energy: 1.4013467896732135
Energy: 1.3890997207239049
Energy: 1.3685900011730852
Energy: 1.318058279722091
Energy: 1.3869798832860565
Energy: 1.383983505341972
Energy: 1.351240599488712
Energy: 1.400016142593828
Energy: 1.3878360746915306
Energy: 1.3864075764079695
Energy: 1.4003086858948857
Energy: 1.3836357602179015
Energy: 1.3517258479612189
Energy: 1.3868609877797315
Energy: 1.3683052576920676
Energy: 1.3170842200248138
Energy: 1.3877620230359333
Energy: 1.384997417378592
Energy: 1.310692361753697
Energy: 1.387354924476118
Energy: 1.3389274151005661
Energy: 1.3175295812724588
Energy: 1.3392230352626844
Energy: 1.3839816719186309
Energy: 1.310605772971695
Energy: 1.3390423467811376
Energy: 1.3398027573674183
Energy: 1.341511291718846
Energy: 1.3396689154230457
Energy: 1.3853100639280014
Energy: 1.362219030041853
Energy: 1.4010338993705276
Energy: 1.3735163466714275
Energy: 1.357902348658479
Energy: 1.3940740850988025
Energy: 1.410105933563044
Energy: 1.3508688920926017
Energy: 1.3883047485230355
Energy: 1.389007813250992
Energy: 1.4060836425069163
Energy: 1.388716849587535
Energy: 1.384462522182762
Energy: 1.6566575111842043
Energy: 1.3893075721402386
Energy: 1.3890972049621033
Energy: 1.4061004808226225
Energy: 1.3889793831969428
Energy: 1.3889628046520275
Energy: 1.350779760989815
Energy: 1.3877336222489678
Energy: 1.3847138511653962
Energy: 1.352414301851274
Energy: 1.3871823774082506
Energy: 1.3521221118572855
Energy: 1.3593080436396512
Energy: 1.3394108838823728
Energy: 1.4051323065630394
Energy: 1.283127193650531
Energy: 1.375019702945379
Energy: 1.3392809590830312
Energy: 1.3170922210992806
Energy: 1.339779824205966
Energy: 1.3664303991867797
Energy: 1.337439432405208
Energy: 1.3393647535953264
Energy: 1.339572647051561
Energy: 1.3121510456691734
Energy: 1.339673181755084
Energy: 1.4013243586068111
Energy: 1.3505618719261852
Energy: 1.4010905658006612
Energy: 1.374852682485582
Energy: 1.3461623232771367
Energy: 1.383767313061415
Energy: 1.385293751427659
Energy: 1.4051734382285828
Energy: 1.384166013649697
Energy: 1.3839855459399226
Energy: 1.3464152869093526
Energy: 1.3836938928785414
Energy: 1.3840746163925448
Energy: 1.4998410499553398
Energy: 1.383600617434936
Energy: 1.404091462640529
Energy: 1.306940289564889
Energy: 1.38645103511597
Energy: 1.3843133400382213
Energy: 1.352880699251247
Energy: 1.385323038438605
Energy: 1.3449248771507158
Energy: 1.3399593497527988
Energy: 1.384147422926978
Energy: 1.384314108601591
Energy: 1.5558661756279886
Energy: 1.384154620202868
Energy: 1.404136176938536
Energy: 1.3401460293363026
Energy: 1.384342065063473
Energy: 1.38581210047214
Energy: 1.3838283605006167
Energy: 1.3857473238638038
Energy: 1.382955528624292
Energy: 1.307180163746473
Energy: 1.3704884403876223
Energy: 1.3840333744764615
Energy: 1.3633072327148013
Energy: 1.384081366119172
Energy: 1.3398146611362116
Energy: 1.3172085090239705
Energy: 1.3391355750702605
Energy: 1.3848650242246054
Energy: 1.3107342202472783
Energy: 1.3387331774986624
Energy: 1.3392562456809871
Energy: 1.357801806687744
Energy: 1.3389050665808182
Energy: 1.375536898070841
Energy: 1.3105989842404495
Energy: 1.3390327828735704
Energy: 1.3391067158891485
Energy: 1.3494784781457214
Energy: 1.3690302026670913
Energy: 1.3882070562457873
Energy: 1.3488044651394424
Energy: 1.3893685253137145
Energy: 1.369500060598321
Energy: 1.3485098925289634
Energy: 1.3885039213562027
Energy: 1.3887897944382646
Energy: 1.4064909143785334
Energy: 1.3888386704907278
Energy: 1.3882831244446576
Energy: 1.3507418650915486
Energy: 1.3881429266053482
Energy: 1.3887604273810807
Energy: 1.3882158761400303
Energy: 1.3883991343661937
Energy: 1.3850339832222645
Energy: 1.3488923008851343
Energy: 1.383949053088688
Energy: 1.3705486615602154
Energy: 1.3582192430614937
Energy: 1.3685020804179182
Energy: 1.4099380669461155
Energy: 1.3371113746943366
Energy: 1.3759064273648673
Energy: 1.3395938965073058
Energy: 1.3631569905663394
Energy: 1.3391678932833155
Energy: 1.3668984054998798

minimum gb energy = 1.283127193650531 eV
minimum distance =  2.21201136007262 Angstroms
sigma value = 27


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

Energy: 1.7289028452669244
Energy: 1.3236373829057815
Energy: 1.3349020900189998
Energy: 1.1897506453912712
Energy: 1.3358761741827814
Energy: 1.3242754245435955
Energy: 1.1762766998837377
Energy: 1.3206795481715032
Energy: 1.30619638466483
Energy: 1.1918587475904405
Energy: 1.30751293560449
Energy: 1.3075382855730162
Energy: 1.2163181221375716
Energy: 1.306256606418031
Energy: 1.3062607341861057
Energy: 1.1919110565644344
Energy: 1.3062993747080283
Energy: 1.3054162930821196
Energy: 1.3700515099946746
Energy: 1.3087318167853796
Energy: 1.3074406325495753
Energy: 1.3127221533850646
Energy: 1.3080441501874616
Energy: 1.3086681975463725
Energy: 1.1917535666219334
Energy: 1.3120675368956904
Energy: 1.3198497531794209
Energy: 1.1910568600391653
Energy: 1.320149660208528
Energy: 1.312262659579889
Energy: 1.190803792418565
Energy: 1.3083976010766152
Energy: 1.320695135498686
Energy: 1.1930312005368247
Energy: 1.3219518160823174
Energy: 1.3093658389721738
Energy: 1.1896497533725015
Energy: 1.3358722230590612
Energy: 1.323890983275205
Energy: 1.7311512241146216
Energy: 1.3351438638241437
Energy: 1.3352228565510427
Energy: 1.1906802859415841
Energy: 1.306590750160109
Energy: 1.3088645823547147
Energy: 1.1919414344460064
Energy: 1.3215950788199122
Energy: 1.3061703130423032
Energy: 1.1917981830904538
Energy: 1.305986481301154
Energy: 1.3056319898537816
Energy: 1.190163430790259
Energy: 1.3065396916782808
Energy: 1.319233105754218
Energy: 1.390907951090797
Energy: 1.3077457096838991
Energy: 1.308504468019202
Energy: 1.3101085260979124
Energy: 1.3084798550075059
Energy: 1.307041449195454
Energy: 1.217786586658246
Energy: 1.320209781579204
Energy: 1.3122042992791028
Energy: 1.1909614748834851
Energy: 1.3120216517562335
Energy: 1.3203524565286766
Energy: 1.1762766868338934
Energy: 1.3205755575061797
Energy: 1.3083267943421033
Energy: 1.1916684047797126
Energy: 1.3083117591962263
Energy: 1.3203067130697907

minimum gb energy = 1.1762766868338934 eV
minimum distance =  2.26346078491291 Angstroms
sigma value = 9


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

Energy: 1.254505030834988
Energy: 1.3835270931836146
Energy: 1.3587684242289293
Energy: 1.3294489001910865
Energy: 1.3606996105956317
Energy: 1.4261882633230338
Energy: 1.3233472414280514
Energy: 1.4914870740112356
Energy: 1.3157159462109294
Energy: 1.3247837497888777
Energy: 1.3154760038919664
Energy: 1.3809629417835811
Energy: 1.3243316922478525
Energy: 1.4466970106670247
Energy: 1.4479754890012704
Energy: 1.3568395257667623
Energy: 1.4483667600594547
Energy: 1.4282643624388238
Energy: 1.2539643031211336
Energy: 1.446245568892386
Energy: 1.4464760188760823
Energy: 1.3579852843296765
Energy: 1.4465345117683186
Energy: 1.4480122433458573
Energy: 1.3577504804062366
Energy: 1.4476471623885467
Energy: 1.4468775461929044
Energy: 1.3244834359969142
Energy: 1.4479367403780823
Energy: 1.448215494380438
Energy: 1.3250874710984542
Energy: 1.3154503774625617
Energy: 1.4493637655527918
Energy: 1.343960220594176
Energy: 1.4387105096845207
Energy: 1.3154713001038658
Energy: 1.2939464450564642
Energy: 1.291071785146246
Energy: 1.4117362661502753
Energy: 1.4330151440169534
Energy: 1.2912490321149899
Energy: 1.3164402869020544
Energy: 1.2925079415010094
Energy: 1.315210347431776
Energy: 1.4899827588116654
Energy: 1.3437773418593064
Energy: 1.4389456649908752
Energy: 1.3154925855164927
Energy: 1.3053701003754312
Energy: 1.4359610101426084
Energy: 1.4411433285827393
Energy: 1.3244066709587392
Energy: 1.4890807503775705
Energy: 1.4285700032084296
Energy: 1.3036040466841596
Energy: 1.4312986434900699
Energy: 1.4271969258880792
Energy: 1.3231522371395856
Energy: 1.4268732905215118
Energy: 1.4281520051321814
Energy: 1.2955862525083681
Energy: 1.4276006800438028
Energy: 1.4256905068406203
Energy: 1.3233343441435839
Energy: 1.4260719733097993
Energy: 1.4495354917227443
Energy: 1.291831702771654
Energy: 1.4706507292960194
Energy: 1.3894541194674905
Energy: 1.364317412599528
Energy: 1.3892452878708288
Energy: 1.428394900308857
Energy: 1.3545787274192351
Energy: 1.4074893789686815
Energy: 1.4069388611245497
Energy: 1.3413198326050855
Energy: 1.4093148533348347
Energy: 1.4443592530351106
Energy: 1.2915971191357065
Energy: 1.482637578272166
Energy: 1.390818324851111
Energy: 1.3433933511367655
Energy: 1.3887021203481755
Energy: 1.4143648861032347
Energy: 1.296973768426284
Energy: 1.5283590397280018
Energy: 1.3891382813103699
Energy: 1.3428802377129907
Energy: 1.3905107748537588
Energy: 1.409216145341713
Energy: 1.3857855194909254
Energy: 1.3889845311354345
Energy: 1.389820889103039
Energy: 1.3420148489231751
Energy: 1.390093320489058
Energy: 1.4048768282958004
Energy: 1.253974080570279
Energy: 1.3885961785162246
Energy: 1.3889012309646558
Energy: 1.3617462461924472
Energy: 1.3887929333151932
Energy: 1.4320063795339586
Energy: 1.3316474331343942
Energy: 1.4275164931262176
Energy: 1.3891075668749595
Energy: 1.324625835277846
Energy: 1.426326516036751
Energy: 1.4171758460900392
Energy: 1.3081292116834276
Energy: 1.4426743771438075
Energy: 1.4402242528303606
Energy: 1.3949720383875774
Energy: 1.4417040334494762
Energy: 1.4415491842282058
Energy: 1.304644455521617
Energy: 1.4291739884192418
Energy: 1.4278370083061565
Energy: 1.324006440732728
Energy: 1.4263985937596606
Energy: 1.4274919648109101
Energy: 1.291350527498207
Energy: 1.316674613713606
Energy: 1.4896736376247188
Energy: 1.3634031079614117
Energy: 1.4893013029314113
Energy: 1.2913428159509956
Energy: 1.2937208344163913
Energy: 1.3166441744353705
Energy: 1.364686760476281
Energy: 1.2507928428626622
Energy: 1.315582202519187
Energy: 1.316881572165207
Energy: 1.3202892851148624
Energy: 1.315424160633328
Energy: 1.4185619486311984
Energy: 1.2503277449193635
Energy: 1.3147687364582077
Energy: 1.3151870646894683
Energy: 1.3251624349383764
Energy: 1.4392795541628187
Energy: 1.4486472701503812
Energy: 1.3640290829649064
Energy: 1.4493389581810752
Energy: 1.317207394650773
Energy: 1.3567482543680878
Energy: 1.4483092804271063
Energy: 1.4477816171886833
Energy: 1.3158188284955277
Energy: 1.448099424955341
Energy: 1.4480177268559706
Energy: 1.3246749765226609
Energy: 1.4478830247087109
Energy: 1.445944742085018
Energy: 1.2540827951193583
Energy: 1.446757425386468
Energy: 1.44844166620312
Energy: 1.361188406658595
Energy: 1.4469013632898449
Energy: 1.3170563299754028
Energy: 1.3249169812001906
Energy: 1.3177786063146846
Energy: 1.4287103238701675
Energy: 1.353097111836374
Energy: 1.3158590805318435
Energy: 1.3168683840975899
Energy: 1.3064207669401524
Energy: 1.3162299274916895
Energy: 1.3883119293590096
Energy: 1.2884567509652882
Energy: 1.315156648715906
Energy: 1.3149590580623511
Energy: 1.2906425899394958
Energy: 1.3148045941089925
Energy: 1.3888677111160774
Energy: 1.3631044721651568
Energy: 1.4892177970270728
Energy: 1.2920116845490828
Energy: 1.2931158118051909
Energy: 1.4408961643470672
Energy: 1.3896739399276044
Energy: 1.3248899703096915
Energy: 1.4259128880877345
Energy: 1.426441163918547
Energy: 1.3051103255205565
Energy: 1.4261193911406351
Energy: 1.4280014803726542
Energy: 1.3879325979560118
Energy: 1.428297296474328
Energy: 1.4387918955269163
Energy: 1.2919383391000654
Energy: 1.4347362302072004
Energy: 1.4436291671411998
Energy: 1.3247400021110085
Energy: 1.3904951169004365
Energy: 1.4277803513434426
Energy: 1.2971301457990014
Energy: 1.4301542581111093
Energy: 1.3893463411121418
Energy: 1.3430191354896313
Energy: 1.3900849304032201
Energy: 1.389425759165551
Energy: 1.321030717671006
Energy: 1.3895569930446838
Energy: 1.3886365309330493
Energy: 1.3409137073526805
Energy: 1.3888649503069765
Energy: 1.3885315449907931
Energy: 1.3208240968538534
Energy: 1.3886752691092166
Energy: 1.3886361020019877
Energy: 1.339244396829864
Energy: 1.432349604676334
Energy: 1.4309032732560067
Energy: 1.333317077450029
Energy: 1.528442827207971
Energy: 1.3432148586519501
Energy: 1.402198814410491
Energy: 1.3891385121833935
Energy: 1.483065673321763
Energy: 1.2543584754253987
Energy: 1.3882022197588157
Energy: 1.3888285553378574
Energy: 1.3415930802998586
Energy: 1.3903547543301094
Energy: 1.4058337530825007
Energy: 1.3208489636154883
Energy: 1.3901338240854677
Energy: 1.3893073670891745
Energy: 1.3247008867700443
Energy: 1.3900160119172391
Energy: 1.4284789592545324
Energy: 1.2953802922088875
Energy: 1.4276467506692423
Energy: 1.3164726364962012
Energy: 1.3544791127756655
Energy: 1.4274737068643604
Energy: 1.4346205709113107
Energy: 1.2925203333860473
Energy: 1.4326171419751708
Energy: 1.4264823914460525
Energy: 1.3246902368808948
Energy: 1.4258085744358153
Energy: 1.425930556716824
Energy: 1.293110204708835
Energy: 1.4263954842614164
Energy: 1.4275299877012515
Energy: 1.3642922526615877
Energy: 1.4888883843297844
Energy: 1.429420415680554
Energy: 1.293554920940492
Energy: 1.4429322437038499
Energy: 1.3900485580310131
Energy: 1.2501307350078423
Energy: 1.3161448784633816
Energy: 1.3150614908594425
Energy: 1.2898968455687891
Energy: 1.3153734520036842
Energy: 1.4369922454598876

minimum gb energy = 1.2501307350078423 eV
minimum distance =  2.22973820201774 Angstroms
sigma value = 57


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

Energy: 2.4665911622338106
Energy: 1.3962034633132083
Energy: 1.1922329442755943
Energy: 1.1373013012820121
Energy: 1.333808686194758
Energy: 1.39679456256438
Energy: 1.1270966621888603
Energy: 1.3889604255053356
Energy: 1.28229390997217
Energy: 1.1320336278855994
Energy: 1.282919818252787
Energy: 1.3786994638424543
Energy: 1.1340030480995138
Energy: 1.3893338593560731
Energy: 1.3920505339424527
Energy: 1.1697785983494335
Energy: 1.3900552676355649
Energy: 1.28377617474249
Energy: 1.129769035425688
Energy: 1.3890981737499417
Energy: 1.389400191223676
Energy: 1.1337764127569432
Energy: 1.3895539679996436
Energy: 1.1293468121049872
Energy: 1.1291613776939158
Energy: 1.3900870266989633
Energy: 1.3889638018865864
Energy: 1.13491109261034
Energy: 1.390283808734719
Energy: 1.3221639074911835
Energy: 1.1312342514057463
Energy: 1.282068077518599
Energy: 1.3898673915262767
Energy: 1.1348421591703308
Energy: 1.2826938527606933
Energy: 1.2809876502289117
Energy: 1.1700880202378923
Energy: 1.297924037510802
Energy: 1.29975153040431
Energy: 1.3153176702505724
Energy: 1.2998879357535813
Energy: 1.3009689522733627
Energy: 1.1343356063558916
Energy: 1.2822953997508681
Energy: 1.3901613762754252
Energy: 1.2856976883698799
Energy: 1.2837101606246852
Energy: 1.2825129981284362
Energy: 1.1673374227396682
Energy: 1.3933964869878706
Energy: 1.3890514954983217
Energy: 1.136236163240962
Energy: 1.3907450561668666
Energy: 1.1674462567638677
Energy: 1.1674818846890755
Energy: 1.2842607317402515
Energy: 1.3779053973005515
Energy: 1.1271911930537655
Energy: 1.2839096082705495
Energy: 1.1679544285487489
Energy: 1.1339805661761047
Energy: 1.2834604657409079
Energy: 1.3759753721952233
Energy: 1.1267638563792373
Energy: 1.2826706323969208
Energy: 1.1345641848308707
Energy: 1.1341106426418932
Energy: 1.3949596114951395
Energy: 1.3768603150380638
Energy: 1.133906553225107
Energy: 1.3951542562500645
Energy: 1.2838465863606543
Energy: 1.169325456607172
Energy: 1.3918769699818372
Energy: 1.3203349073232484
Energy: 1.2948030060838003
Energy: 1.3953922286462541
Energy: 1.3905233859221573
Energy: 1.1337625630897885
Energy: 1.3954723362172412
Energy: 1.3895214992858618
Energy: 1.1287127419478213
Energy: 1.3904618667625663
Energy: 1.3952825490349134
Energy: 1.135499628902052
Energy: 1.3951201260591024
Energy: 1.2846129981278476
Energy: 1.1356126276137084
Energy: 1.2846778345866376
Energy: 1.3779913947544942
Energy: 1.1229528368763932
Energy: 1.2838384656565476
Energy: 1.2852500316455489
Energy: 1.134156875797255
Energy: 1.2860122347458212
Energy: 1.3154046834009512
Energy: 1.122782007684222
Energy: 1.2818443570358906
Energy: 1.28293964598986
Energy: 1.1679164322189832
Energy: 1.2824836656636458
Energy: 1.3772056154343404
Energy: 1.1335608658824223
Energy: 1.400771720627027
Energy: 1.2990996999742745
Energy: 1.1662825601690376
Energy: 1.3966529663381384
Energy: 1.3765217852446507
Energy: 1.1260371231724213
Energy: 1.3760180153885506
Energy: 1.282680610439446
Energy: 1.1677987495565845
Energy: 1.282787816972086
Energy: 1.3946240959383953

minimum gb energy = 1.122782007684222 eV
minimum distance =  2.2371136005621 Angstroms
sigma value = 11


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

Energy: 1.4662493849451335
Energy: 1.0610102298399724
Energy: 1.110118902509372
Energy: 1.110902728206631
Energy: 1.237034589640966
Energy: 1.0639630970840686
Energy: 1.051880093524905
Energy: 1.3162996216789506
Energy: 1.175868176906234
Energy: 1.0508795285305415
Energy: 1.1741361294169224
Energy: 1.3383594854535272
Energy: 1.0552946661690124
Energy: 1.3123175015417334
Energy: 1.3158089135751097
Energy: 1.051839556430473
Energy: 1.3147983865354336
Energy: 1.3391088821170858
Energy: 1.044599189928021
Energy: 1.31203654230504
Energy: 1.3158149676694821
Energy: 1.1781075918519464
Energy: 1.3147431096284217
Energy: 1.3365067280192322
Energy: 1.044657746485075
Energy: 1.311367126228285
Energy: 1.315150612156529
Energy: 1.05216258095003
Energy: 1.3154826366858319
Energy: 1.3358728381136205
Energy: 1.049914787208712
Energy: 1.311562558613162
Energy: 1.3173004241047515
Energy: 1.0538404486869424
Energy: 1.3118864490017774
Energy: 1.3155012169462443
Energy: 1.0519115032771575
Energy: 1.2238864591204912
Energy: 1.3150880061570585
Energy: 1.2214121461078629
Energy: 1.3161006135590296
Energy: 1.2252306879014798
Energy: 1.0471691791797273
Energy: 1.3118258376151228
Energy: 1.310350010680339
Energy: 1.0700348597156923
Energy: 1.3113080213797828
Energy: 1.3125927296135502
Energy: 1.0525943002829183
Energy: 1.174678533031243
Energy: 1.336261612324318
Energy: 1.1751572933457777
Energy: 1.316616191426351
Energy: 1.1778343855589144
Energy: 1.0529515804718537
Energy: 1.1757378567355794
Energy: 1.174822663642466
Energy: 1.2219570586845026
Energy: 1.1753864878991607
Energy: 1.1780950012295188
Energy: 1.0709554458687696
Energy: 1.1749066736526685
Energy: 1.1736485616711922
Energy: 1.0468691568389157
Energy: 1.1736251455972802
Energy: 1.1764267288526589
Energy: 1.0658017914689786
Energy: 1.176554864531045
Energy: 1.335670975320044
Energy: 1.276503285151602
Energy: 1.2943619742030037
Energy: 1.0687289706432157
Energy: 1.0703881735805856
Energy: 1.1743777652011735
Energy: 1.3109307632343332
Energy: 1.0475412248411926
Energy: 1.1742283884165199
Energy: 1.0707548599848076
Energy: 1.0511455134620111
Energy: 1.2117018991388966
Energy: 1.2785743245410104
Energy: 1.3398899333891467
Energy: 1.1771435517568956
Energy: 1.0514292386270832
Energy: 1.0511534405877345
Energy: 1.1746485337199528
Energy: 1.3400004738847295
Energy: 1.1775289942260239
Energy: 1.3182151909484832
Energy: 1.1747092036934041
Energy: 1.0547264379523886
Energy: 1.3165097562449892
Energy: 1.3114320930855894
Energy: 1.224233367509504
Energy: 1.3112040370917941
Energy: 1.315418019864779
Energy: 1.054087168715424
Energy: 1.3163016972029435
Energy: 1.3402917184758383
Energy: 1.33704956766099
Energy: 1.3152688825978824
Energy: 1.2260078169647075
Energy: 1.0510410908110042
Energy: 1.3143005364428109
Energy: 1.3104808373566819
Energy: 1.0464136709612628
Energy: 1.3120248427133432
Energy: 1.3172500720425209
Energy: 1.0546972735253017
Energy: 1.312193670206991
Energy: 1.3154308607637284
Energy: 1.052750292272624
Energy: 1.3119175189748802
Energy: 1.315103860859443
Energy: 1.049079741037168
Energy: 1.3160896102101574
Energy: 1.2238083139778708
Energy: 1.051480540054342
Energy: 1.3153043562352942
Energy: 1.3125645814546743
Energy: 1.052927058774816
Energy: 1.310920973349519
Energy: 1.3146003608993502
Energy: 1.0477248425018677
Energy: 1.3139339987117
Energy: 1.3384238579627217
Energy: 1.0518864027029007
Energy: 1.317937594075776
Energy: 1.1765596202759314
Energy: 1.0525600330370346
Energy: 1.1741614487854029
Energy: 1.3376777039231575
Energy: 1.0482692937706295
Energy: 1.1772478954741379
Energy: 1.1787051015602448
Energy: 1.053033043893716
Energy: 1.1785328223532396
Energy: 1.3155119553750105
Energy: 1.0467414073943937
Energy: 1.173401321203399
Energy: 1.1748950621514773
Energy: 1.0711059641440532
Energy: 1.173537117287088
Energy: 1.3106116644537917
Energy: 1.050229084264333
Energy: 1.3178696669638184
Energy: 1.0681593844050576
Energy: 1.0665675635492993
Energy: 1.2921673159146776
Energy: 1.335762702090277
Energy: 1.0451892713062019
Energy: 1.1747268916478837
Energy: 1.177493917615729
Energy: 1.0720503094501956
Energy: 1.1749000664230518
Energy: 1.2747240723632394

minimum gb energy = 1.044599189928021 eV
minimum distance =  2.21166697198116 Angstroms
sigma value = 41


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

Energy: 1.833708749420762
Energy: 0.9706841768192
Energy: 1.0297865392826984
Energy: 1.0296150887658213
Energy: 0.9844802554614976
Energy: 1.2558159739365318
Energy: 1.191365334124648
Energy: 1.2432748722550002
Energy: 1.0733076131153552
Energy: 1.0809857598106771
Energy: 1.0733429894467261
Energy: 1.2390931707814976
Energy: 0.9625103585416125
Energy: 1.200920746065224
Energy: 1.2100183787125796
Energy: 1.0748105238692505
Energy: 1.2002810431255297
Energy: 1.2432753827498213
Energy: 1.191044266523952
Energy: 1.2013159684177355
Energy: 1.2112828182304975
Energy: 1.0747519333336262
Energy: 1.1996177777552754
Energy: 1.2260788958011584
Energy: 1.1913640788215358
Energy: 1.1998003533540424
Energy: 1.2078966766486368
Energy: 1.075147278639132
Energy: 1.2000063928933926
Energy: 1.225317276230399
Energy: 0.9639449705957831
Energy: 1.238345090514184
Energy: 1.2003857780308196
Energy: 1.2430335554548604
Energy: 1.2404519541071453
Energy: 1.2357212900021017
Energy: 0.9641232188074583
Energy: 1.2408279011568772
Energy: 1.2381900529236884
Energy: 1.2377292627837215
Energy: 1.2391939934387428
Energy: 1.210482799669597
Energy: 1.1922383400349688
Energy: 1.2393507549183427
Energy: 1.240835111417791
Energy: 1.1991083240976623
Energy: 1.2419449616769505
Energy: 1.2288441567404567
Energy: 0.9636717492251166
Energy: 1.2008589287470774
Energy: 1.2398690337743723
Energy: 1.2280024616085476
Energy: 1.2415350279795252
Energy: 1.1998061143376846
Energy: 1.0810766217776457
Energy: 1.1988381494934073
Energy: 1.201855039355783
Energy: 1.2008248636339116
Energy: 1.1987111150246479
Energy: 1.1354713790761706
Energy: 1.0820561174618253
Energy: 1.2024775226451807
Energy: 1.1991696406743733
Energy: 1.2017835292759027
Energy: 1.199360275517959
Energy: 1.1487291071459937
Energy: 1.0824365502346296
Energy: 1.1371512982892018
Energy: 1.2437033124507455
Energy: 1.227069391394242
Energy: 1.1985790343464882
Energy: 1.1391540774717408
Energy: 1.078676640959363
Energy: 1.0730170656068783
Energy: 1.140780379213476
Energy: 1.2365193392277212
Energy: 1.0731359187271938
Energy: 1.0732884782708108
Energy: 0.9832411402498239
Energy: 0.984088310704353
Energy: 1.2020468327605027
Energy: 1.199602589052861
Energy: 1.0725843600715148
Energy: 0.9833696948256633
Energy: 0.9850576758105488
Energy: 1.0733263671061959
Energy: 1.2429186676724566
Energy: 1.226589512175425
Energy: 0.9836844525463563
Energy: 1.0735476642458757
Energy: 0.9847109370819495
Energy: 1.0739686024912383
Energy: 1.200606548475483
Energy: 1.2273231799168245
Energy: 0.98398908637974
Energy: 0.98444747261447
Energy: 0.9830021477469151
Energy: 0.9846699839595625
Energy: 1.1627385590294723
Energy: 1.2285951564218591
Energy: 1.0748688487174338
Energy: 0.9837993326950677
Energy: 1.0796853789107668
Energy: 1.0735683478320057
Energy: 1.1986300229852542
Energy: 1.2450347354204823
Energy: 1.0728284811373654
Energy: 0.9843492861922261
Energy: 1.0825934778922723
Energy: 1.1994588428168351
Energy: 1.245096192135005
Energy: 1.2277356190610378
Energy: 1.1988513904216584
Energy: 0.9831664480980825
Energy: 1.0812490078348156
Energy: 1.2017210972848846
Energy: 1.1990542800758712
Energy: 1.2250521156002174
Energy: 1.1991565758493026
Energy: 1.2023623674535138
Energy: 1.080641875173536
Energy: 1.1990018202314303
Energy: 1.2247083095762528
Energy: 1.2276220452135689
Energy: 1.198929001102375
Energy: 1.1351614405850936
Energy: 1.1985560939795166
Energy: 1.2005080985900818
Energy: 1.2401936393258362
Energy: 1.2315622303775835
Energy: 1.2413628426926697
Energy: 1.1996306715464324
Energy: 1.0801296256618589
Energy: 1.2379281827134758
Energy: 1.2408522304057166
Energy: 1.199356559749805
Energy: 1.2422192563891532
Energy: 1.2359635657478512
Energy: 1.0798280339004838
Energy: 1.2410219380495564
Energy: 1.2367253686933024
Energy: 1.2461880019309828
Energy: 1.239278086123439
Energy: 1.2407741194291089
Energy: 0.96429680772069
Energy: 1.2378244061612056
Energy: 1.199436364640162
Energy: 1.2440568295900483
Energy: 1.2403037737319245
Energy: 1.2355824602168153
Energy: 1.0772516020704237
Energy: 1.1994431303751265
Energy: 1.2001537683948915
Energy: 1.1875019244148572
Energy: 1.200069916637859
Energy: 1.1991064926343828
Energy: 1.0762927956529846
Energy: 1.2015750575507174
Energy: 1.1377321140969316
Energy: 0.9837526289903064
Energy: 1.1997212041859624
Energy: 1.20124814587904
Energy: 0.9673747006124688
Energy: 1.2008057738630995
Energy: 1.15154294208847
Energy: 0.9835679235693047
Energy: 1.2007229621332327
Energy: 1.2428315275233166
Energy: 0.9615681843227181
Energy: 1.2162064445781207
Energy: 1.0729088632065382
Energy: 1.081291472633071
Energy: 1.0728545497008757
Energy: 1.2395418699430312
Energy: 1.0748901463251115
Energy: 0.9839440470717168
Energy: 0.9628241467937085
Energy: 0.9633492945528042
Energy: 0.9854814242888232
Energy: 1.0673551320483066
Energy: 0.9613749130825859
Energy: 0.9855931237335499
Energy: 1.0726811087750578
Energy: 0.9833451446840656
Energy: 1.072486434024237
Energy: 1.2387522147524368
Energy: 0.9673643423659095
Energy: 1.1995070041833327
Energy: 0.9853545984400961
Energy: 0.9842785268735313
Energy: 1.1784626815353247
Energy: 1.2442453529491122
Energy: 1.1893997643912264
Energy: 1.0737748840366148
Energy: 0.9862096329885323
Energy: 0.9852220154321905
Energy: 1.0755981801294856
Energy: 1.1596118025120379

minimum gb energy = 0.9613749130825859 eV
minimum distance =  2.20418424351925 Angstroms
sigma value = 33


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

Energy: 1.7453712341852898
Energy: 0.8519607438163191
Energy: 0.9231853163086761
Energy: 0.9250901088979777
Energy: 0.8648916895368782
Energy: 0.8755840693215868
Energy: 1.6148012350710108
Energy: 0.9917616772113664
Energy: 0.9333857968968231
Energy: 0.9366439652654228
Energy: 0.9325893864206044
Energy: 1.0438437887187855
Energy: 1.6386158295139628
Energy: 1.081404530090341
Energy: 1.045379113286256
Energy: 0.8653745787020335
Energy: 0.9880013590868026
Energy: 1.0867623397884418
Energy: 1.6245523544126184
Energy: 0.9909557292545595
Energy: 0.9829271161169985
Energy: 0.8656238333097172
Energy: 0.9866089581850916
Energy: 1.0738440059787686
Energy: 1.6247827039937959
Energy: 1.0438551593472405
Energy: 0.9870117506127534
Energy: 1.0607467022222388
Energy: 1.04417415244269
Energy: 1.0725691376061912
Energy: 1.6374505541118458
Energy: 1.0864354919101555
Energy: 0.9933959347218158
Energy: 1.0607552754327707
Energy: 1.0902548102532936
Energy: 1.0929142437635926
Energy: 1.4655365771363618
Energy: 1.084399920910291
Energy: 1.0850126210927105
Energy: 1.0870823013452626
Energy: 1.0844335037523447
Energy: 1.0890213794657166
Energy: 1.3305865505850951
Energy: 1.087651780088568
Energy: 0.9815765851996259
Energy: 0.9921428685657688
Energy: 1.0601956290938017
Energy: 1.0909136999833744
Energy: 1.4652883026841363
Energy: 1.0990149099267619
Energy: 1.0864835850213237
Energy: 1.0846371951108098
Energy: 1.086334517616614
Energy: 1.0968280506357018
Energy: 1.483358950960307
Energy: 1.0948280344440902
Energy: 1.0938892510441667
Energy: 1.0948772643579836
Energy: 1.094795461271562
Energy: 1.0946310609034633
Energy: 1.3352331377595097
Energy: 1.093812266170836
Energy: 1.094494189086089
Energy: 1.0891912991592965
Energy: 1.094556078147118
Energy: 1.0935794634703733
Energy: 1.3350186641484478
Energy: 1.094373584044575
Energy: 1.0933444821537908
Energy: 1.0931020818173764
Energy: 1.0942432224582206
Energy: 1.0955831575480925
Energy: 1.490560139087365
Energy: 1.0855105161738807
Energy: 1.0853372464542357
Energy: 1.0971947592349185
Energy: 1.084762595154547
Energy: 1.0856663707426388
Energy: 1.1791276428686406
Energy: 1.0891290480631195
Energy: 1.0865673579018722
Energy: 1.0942409617855058
Energy: 1.0864292645071842
Energy: 0.9936635434259529
Energy: 1.0196308075782676
Energy: 1.0848177036107816
Energy: 1.0954189731377184
Energy: 1.0946074111518957
Energy: 1.0844876930982188
Energy: 1.0852096741327457
Energy: 1.1790049012013821
Energy: 1.0439279205117824
Energy: 1.0891416746331868
Energy: 1.0938433735718742
Energy: 0.9973051229655232
Energy: 1.0428018791687481
Energy: 0.9391708021490814
Energy: 0.9831288240669986
Energy: 1.0855830734750949
Energy: 1.085309402020367
Energy: 0.9869506764109738
Energy: 0.8645098209807903
Energy: 0.9379442853382773
Energy: 1.0445509335116256
Energy: 1.0426381366946518
Energy: 1.0984970003164032
Energy: 1.0427967390366575
Energy: 0.9870583636011352
Energy: 0.9388026996517053
Energy: 0.981214258214381
Energy: 1.0937777004981506
Energy: 1.0932063054214725
Energy: 0.9851473328200313
Energy: 0.8659968596622861
Energy: 0.9381448913635885
Energy: 0.9329913642634704
Energy: 0.8669342642969713
Energy: 1.1049473767562905
Energy: 0.9336216321660483
Energy: 0.8666442635634872
Energy: 0.8617679192053052
Energy: 0.8670996678445921
Energy: 0.9856000362161466
Energy: 1.0867400146065158
Energy: 0.8654355678523834
Energy: 0.863575198246753
Energy: 0.8657934574530333
Energy: 0.9331530027898366
Energy: 1.0815251892573328
Energy: 1.0932557623552352
Energy: 0.8632135833381905
Energy: 0.9333691854064389
Energy: 0.8661198880542111
Energy: 0.9328775321808626
Energy: 0.9908549933287732
Energy: 1.09526468176442
Energy: 1.0443995497281071
Energy: 0.8665244383473708
Energy: 0.8628027873142022
Energy: 0.8636964486336706
Energy: 1.0770150350205028
Energy: 1.0749643406837162
Energy: 0.8654745333368075
Energy: 0.8638137682943481
Energy: 0.9353826123191533
Energy: 0.9333728035428658
Energy: 0.9922204832040007
Energy: 1.095503114386844
Energy: 0.9327082782944078
Energy: 0.936905185419416
Energy: 0.9377468567286988
Energy: 0.9855464146735313
Energy: 1.0819839802464843
Energy: 1.093631980971259
Energy: 0.990442174573845
Energy: 0.865648414494039
Energy: 0.9372387416800889
Energy: 1.0456731857907111
Energy: 1.0435926588073834
Energy: 1.100123598721884
Energy: 1.043963998560318
Energy: 0.9833448593046815
Energy: 1.1802484619133058
Energy: 0.9856334471689251
Energy: 1.0750698462402362
Energy: 1.0954336158440856
Energy: 0.9876741961840634
Energy: 0.9829314789543924
Energy: 1.1808221340481082
Energy: 0.9910466339367235
Energy: 1.0875117598402142
Energy: 1.0937126307214917
Energy: 1.0881840400756366
Energy: 0.9909946138568886
Energy: 1.1788963253744558
Energy: 1.0910641727935815
Energy: 1.0867122718689064
Energy: 1.0957416888891898
Energy: 1.0911130863655158
Energy: 1.084506096595287
Energy: 1.1791132927663297
Energy: 1.0906062408978747
Energy: 1.0915070956362456
Energy: 1.0914257827235057
Energy: 1.0883406043198145
Energy: 0.9901908674370946
Energy: 1.4194055227470805
Energy: 1.084541829081245
Energy: 1.0979402562713563
Energy: 1.0965371613573351
Energy: 1.0850458178587123
Energy: 1.0846723830522447
Energy: 1.4753492191741957
Energy: 1.0941266724583463
Energy: 1.0936447960287023
Energy: 1.0943147011262617
Energy: 1.0941170213980569
Energy: 1.0937756285122617
Energy: 1.4750084264186423
Energy: 1.0939970779620956
Energy: 1.0938004321185868
Energy: 1.0765812899344498
Energy: 1.0944743893051745
Energy: 1.0939800551218604
Energy: 1.4217277180582206
Energy: 1.094214828513891
Energy: 1.0938368466152137
Energy: 1.0735346863131525
Energy: 1.094715295490424
Energy: 1.093725070152732
Energy: 1.465331200269672
Energy: 1.086910254263297
Energy: 1.0852704584818402
Energy: 1.085145178591929
Energy: 1.0849913050267905
Energy: 1.0990184479126799
Energy: 1.4809528033048769
Energy: 1.0880094703831609
Energy: 0.9933962163922435
Energy: 0.9916059316030599
Energy: 1.0921245747755464
Energy: 1.093873482118377
Energy: 1.4653197956236081
Energy: 1.0895345421394855
Energy: 1.0910261471486378
Energy: 1.0756530246736737
Energy: 1.0904755391153536
Energy: 1.0998053324102746
Energy: 1.4647934575525403
Energy: 1.0879545582326127
Energy: 0.9903999747083766
Energy: 1.0602626110387317
Energy: 0.9910075687231817
Energy: 1.086738775330574
Energy: 1.4730780274777016
Energy: 1.0444230306507953
Energy: 0.9846045415516436
Energy: 0.9387961934837552
Energy: 0.98571262845757
Energy: 1.0848919900486873
Energy: 1.4734235761607
Energy: 1.0433829947426148
Energy: 0.9851349945022779
Energy: 0.8644400253762398
Energy: 1.044875299393821
Energy: 1.0433497762228927
Energy: 1.6030268646936017
Energy: 1.081314257229334
Energy: 0.9824837898101989
Energy: 0.8665560509155877
Energy: 0.9857835550038546
Energy: 1.0864412914435437
Energy: 1.6275229634295139
Energy: 0.8680663079613222
Energy: 0.9330263135447867
Energy: 0.9372296212820984
Energy: 0.9330799050870581
Energy: 0.9909127314905884
Energy: 1.4767662864492916
Energy: 0.8647921888909897
Energy: 0.8637919807745552
Energy: 0.8627972160824241
Energy: 0.8668390132100936
Energy: 1.0868462845152278
Energy: 1.464715346501794
Energy: 1.044135392526927
Energy: 0.9329587377466012
Energy: 0.8673606449041764
Energy: 0.9325253558388812
Energy: 1.0819147428980498
Energy: 1.465524696887931
Energy: 1.0436393666782884
Energy: 0.9336114130669058
Energy: 0.8667215331797982
Energy: 0.9341529280376272
Energy: 1.081750496442454
Energy: 1.6286278862904726
Energy: 0.8656457714474342
Energy: 0.8634785966180628
Energy: 0.8620164699735413
Energy: 0.8668676830085255
Energy: 1.0765535893915508

minimum gb energy = 0.8519607438163191 eV
minimum distance =  2.24606445488467 Angstroms
sigma value = 67


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

Energy: 0.25494668800864534
Energy: 0.2563011472842008
Energy: 0.4045100503322814
Energy: 0.4052536578058448
Energy: 0.4928013854678563
Energy: 0.2552178095666642
Energy: 0.2566159320913335
Energy: 0.401494830735211
Energy: 0.402424046833834
Energy: 0.40325530290731226
Energy: 0.40098575858823504
Energy: 0.4018119599126742
Energy: 1.4004133646718342
Energy: 0.40512133549424545
Energy: 0.40561379397425673
Energy: 0.4094160462058811
Energy: 0.4045806665755983
Energy: 0.4049951710743403
Energy: 0.260535097821382
Energy: 0.40772502876529393
Energy: 0.4070724967701451
Energy: 0.40594517785622575
Energy: 0.40658179807420924
Energy: 0.2598186932058707
Energy: 0.26141680951198476
Energy: 0.4087796826499145
Energy: 0.40923459305738413
Energy: 0.4097973863274794
Energy: 0.40797455079160694
Energy: 0.261235724896735
Energy: 1.4008989791122917
Energy: 0.40599312385089936
Energy: 0.4052783279355012
Energy: 0.40494629242471725
Energy: 0.404935860105549
Energy: 0.40607788015493246
Energy: 0.25742338944547677
Energy: 0.40274353676838637
Energy: 0.403523172891774
Energy: 0.4087801457878647
Energy: 0.402442559985479
Energy: 0.40284735332729205

minimum gb energy = 0.25494668800864534 eV
minimum distance =  2.43519087845256 Angstroms
sigma value = 3


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

Energy: 1.653003307661623
Energy: 1.0148339404362368
Energy: 0.847943513280292
Energy: 0.9770487686462657
Energy: 1.0576707025730958
Energy: 1.0639087396955837
Energy: 1.3518020236456125
Energy: 0.8898054543603094
Energy: 0.8422040525376413
Energy: 0.8423236844973631
Energy: 0.8416777122177515
Energy: 0.9616951954009323
Energy: 1.3101839741985426
Energy: 0.8420359159982987
Energy: 0.842037889794352
Energy: 0.8464760757317551
Energy: 0.841625500734239
Energy: 0.844107418110227
Energy: 1.5436398261166706
Energy: 0.8427734066418463
Energy: 0.8414104353090909
Energy: 0.8432244662058539
Energy: 0.8420708756647974
Energy: 1.0239217777613707
Energy: 1.6233189441221494
Energy: 0.843412821195763
Energy: 0.8838176765783479
Energy: 0.8431147997301107
Energy: 0.842510122139879
Energy: 0.9065029821888883
Energy: 1.3103928634426034
Energy: 0.841756376194245
Energy: 0.8417786562105687
Energy: 0.844216356966362
Energy: 0.8425497271065083
Energy: 0.900005870729159
Energy: 1.7790746473702237
Energy: 0.9606668554829967
Energy: 0.842834195311515
Energy: 0.8445527187428077
Energy: 0.9281643048405542
Energy: 0.9615068574999585
Energy: 1.2467261947567991
Energy: 0.9660336846333901
Energy: 1.0460404622987916
Energy: 0.9575659206457521
Energy: 1.0416630112986975
Energy: 1.0779980040205241
Energy: 1.4216375852202663
Energy: 0.8425222295111243
Energy: 0.8425094814932635
Energy: 0.8448508031838226
Energy: 0.8423813680233389
Energy: 0.9285577252323528
Energy: 1.3049603320349537
Energy: 1.061479240999105
Energy: 1.0432205646492547
Energy: 0.8524657965194887
Energy: 1.040061210422607
Energy: 1.06000246203825
Energy: 1.240092744388526
Energy: 1.0800863113336439
Energy: 1.0835235561388579
Energy: 1.060933684229287
Energy: 1.0806061881417657
Energy: 1.0801180188729687
Energy: 1.2450577504746825
Energy: 1.079153327197789
Energy: 1.080111118484246
Energy: 1.0047893293463166
Energy: 1.0808129156308843
Energy: 1.0789487863106202
Energy: 1.3047915314314869
Energy: 1.0792158941989245
Energy: 1.081939446150319
Energy: 1.0346717800712348
Energy: 1.0830199571027779
Energy: 1.0970260571291988
Energy: 1.3304862756455993
Energy: 1.0911236516213387
Energy: 1.0799504477531212
Energy: 1.0809293317785178
Energy: 1.09805562229818
Energy: 1.0897711376680357
Energy: 1.3622928579546172
Energy: 1.0936139590685428
Energy: 1.0850660418126474
Energy: 1.0830550873928277
Energy: 1.0921210920187103
Energy: 1.0855072570268072
Energy: 1.3315776525057978
Energy: 1.0984093236141559
Energy: 1.0923790221986442
Energy: 1.0727296940311797
Energy: 1.097678548292561
Energy: 1.0925300250581949
Energy: 1.4380691124362146
Energy: 1.0838170912112788
Energy: 1.0899751498143764
Energy: 1.0885147955205428
Energy: 1.0924293330247263
Energy: 1.0771054569964191
Energy: 1.2981608286983803
Energy: 1.078229438809271
Energy: 1.0758413587718063
Energy: 1.0964935004288927
Energy: 1.0759034563272847
Energy: 1.03538629630048
Energy: 1.3009660048134761
Energy: 1.0749695103900712
Energy: 1.0752882913211372
Energy: 1.0840780390185645
Energy: 1.075227592762439
Energy: 1.078126054731182
Energy: 1.1876255270002025
Energy: 1.0421290155124072
Energy: 1.0753768051050059
Energy: 1.0867086918677005
Energy: 1.075659144560703
Energy: 1.0139036414792502
Energy: 1.188115430149066
Energy: 1.0132357682444015
Energy: 1.0362524061464613
Energy: 1.0904399610559536
Energy: 1.014420359853629
Energy: 1.013087556421443
Energy: 1.1815716337523827
Energy: 0.8484773984887662
Energy: 1.0644986024542997
Energy: 1.005301757725537
Energy: 1.0152377813719557
Energy: 0.9756192144794855
Energy: 1.002964665442192
Energy: 1.0147369717079682
Energy: 1.054363891242328
Energy: 1.0904275263961147
Energy: 1.0153737594453431
Energy: 1.0189105009538437
Energy: 0.9865444025667326
Energy: 0.9704580153440417
Energy: 1.0639372187669072
Energy: 0.8447988318714357
Energy: 1.0158221856808158
Energy: 0.8443683907705422
Energy: 1.0123266210788742
Energy: 0.8348637988449441
Energy: 0.8378971891352575
Energy: 1.0897054377563897
Energy: 0.8366957351099716
Energy: 0.8348642723110279
Energy: 0.9918404393168588
Energy: 0.8442859448910776
Energy: 0.8477940309602497
Energy: 1.0632786418795377
Energy: 0.8448625463762032
Energy: 0.8446936225199005
Energy: 0.895374244692563
Energy: 0.8845908231359704
Energy: 0.8432941699759822
Energy: 1.0621974443707387
Energy: 0.8452998238478866
Energy: 0.8851501309109338
Energy: 0.9022862045402148
Energy: 0.8370787529753844
Energy: 0.8390909659428567
Energy: 1.0928004882130238
Energy: 0.8380556922876161
Energy: 0.8344752108280878
Energy: 0.8898502646303514
Energy: 0.8880654690052255
Energy: 1.0631078994654395
Energy: 1.0722814427565723
Energy: 0.9044238183792689
Energy: 0.8879297015527895
Energy: 0.9592823363101443
Energy: 0.899631420836812
Energy: 0.9086590068350764
Energy: 1.0919772912146233
Energy: 0.8994793816961341
Energy: 0.8997831577580218
Energy: 0.9679469433305198
Energy: 0.888213822220127
Energy: 0.845378990151926
Energy: 0.8450208167779398
Energy: 0.8877956868304019
Energy: 0.8892979003419754
Energy: 0.9527179328125979
Energy: 0.8982366746129623
Energy: 0.8988806291628028
Energy: 1.0893244961170359
Energy: 0.8990046427374243
Energy: 0.8990763068811899
Energy: 0.9626287339229628
Energy: 0.9213199281690878
Energy: 0.960671800222868
Energy: 1.0928221654818118
Energy: 0.9602546718440627
Energy: 0.9173722167140469
Energy: 1.1683807058406717
Energy: 0.9595007633743695
Energy: 0.9602567014071715
Energy: 1.0635389512600009
Energy: 0.9599607850746481
Energy: 1.036610679783968
Energy: 1.168887061844558
Energy: 0.9195955962175375
Energy: 1.0377559351475967
Energy: 1.089865656284399
Energy: 0.9587722512005814
Energy: 0.9053049622592533
Energy: 1.1675036957707254
Energy: 0.9214656950375133
Energy: 1.0785763453767205
Energy: 1.0576310829510511
Energy: 1.0786211342313228
Energy: 1.0453401781990437
Energy: 1.167030490364207
Energy: 1.0824547677036334
Energy: 1.0815771805359906
Energy: 1.0855433942842911
Energy: 1.0806593759230154
Energy: 1.07930819231114
Energy: 1.363971324018727
Energy: 1.084434946770207
Energy: 1.081961168380933
Energy: 1.0878717498732833
Energy: 0.9279337621526265
Energy: 1.0408752400923384
Energy: 1.304857114651699
Energy: 1.079944380292656
Energy: 1.0927623498185917
Energy: 1.093149780395264
Energy: 1.0980187144261873
Energy: 1.0812952800602076
Energy: 1.3063000862423912
Energy: 1.0913580620086982
Energy: 1.0927453971026144
Energy: 1.0199456264391007
Energy: 1.095467929384264
Energy: 1.0825881521886236
Energy: 1.250167486048606
Energy: 1.0914145093305672
Energy: 1.0903793027123305
Energy: 1.0925707960067612
Energy: 1.0933351117917443
Energy: 1.0907978512059653
Energy: 1.2500194810128493
Energy: 1.0919563651311293
Energy: 1.092836327222699
Energy: 1.083872965775629
Energy: 1.0935659016887156
Energy: 1.0910694097916298
Energy: 1.3123651965897007
Energy: 1.0950520497636005
Energy: 1.0805469264357876
Energy: 1.0042108101718845
Energy: 1.08106596792774
Energy: 1.0944636972010198
Energy: 1.4599666545399286
Energy: 1.0812757151261427
Energy: 1.0836297918605358
Energy: 0.9696616989959823
Energy: 1.0847369502609754
Energy: 1.060017335356478
Energy: 1.447788496416911
Energy: 1.0820790488186294
Energy: 1.087927694318976
Energy: 1.062848092629111
Energy: 1.0876066700876401
Energy: 1.0935759634688986
Energy: 1.4714299623563065
Energy: 1.0809655877762478
Energy: 1.046444940785449
Energy: 0.8510914211399766
Energy: 1.042340000186466
Energy: 1.0806687554191658
Energy: 1.3062702866517772
Energy: 0.8866066761433348
Energy: 0.8426118878017654
Energy: 0.9287671645062722
Energy: 0.8449474512664416
Energy: 1.0185738885568756
Energy: 1.3354537799566442
Energy: 0.9649717559408558
Energy: 1.0430452887592718
Energy: 0.944511017647974
Energy: 0.9640821107519485
Energy: 1.05214511652053
Energy: 1.346537359655081
Energy: 0.9649419428589694
Energy: 0.9354336070329412
Energy: 0.9427907816505713
Energy: 0.9627565247999084
Energy: 1.0156255464291413
Energy: 1.3107087377294293
Energy: 0.8447571830987795
Energy: 0.8420400518413048
Energy: 0.8432427725586523
Energy: 0.8429858759821445
Energy: 0.8428053882425495
Energy: 1.3500658452337007
Energy: 0.9052564309775479
Energy: 0.841972264371162
Energy: 0.8444545572394001
Energy: 0.8442931102078528
Energy: 0.9629983184781712

minimum gb energy = 0.8344752108280878 eV
minimum distance =  2.26834744973801 Angstroms
sigma value = 81


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

Energy: 1.2200553202967388
Energy: 0.9456828920596938
Energy: 0.9304882600372346
Energy: 1.0802545622590316
Energy: 0.9320396138553548
Energy: 1.2345782759060897
Energy: 1.2126318937343297
Energy: 0.9329217882415711
Energy: 0.9269432959993459
Energy: 0.9277694383346111
Energy: 0.9268965214481425
Energy: 0.9326486914567006
Energy: 1.220019284659178
Energy: 0.9277087403694192
Energy: 0.9280143252413463
Energy: 0.9284331966946445
Energy: 0.9280252932355187
Energy: 0.9291814420635134
Energy: 1.2387066776319786
Energy: 0.9306518367575761
Energy: 0.9287540253265699
Energy: 0.9300515763310491
Energy: 0.9289914844908684
Energy: 0.9327726412126256
Energy: 1.239443640561206
Energy: 0.9303396182313101
Energy: 0.9291599735139023
Energy: 0.9300475261957941
Energy: 0.9294868359128882
Energy: 0.9322943640065373
Energy: 1.2193715508610141
Energy: 0.9270264646844344
Energy: 0.9266248845347289
Energy: 0.9265753661766086
Energy: 0.9276108319927039
Energy: 0.9266970688370602
Energy: 1.2399555235580804
Energy: 0.9314360011203194
Energy: 0.9310145218094507
Energy: 0.9331033326743635
Energy: 0.9318895453752314
Energy: 0.9324318390209569
Energy: 1.2395966421985083
Energy: 0.9335915735233831
Energy: 1.2093281549122055
Energy: 1.0707007513573619
Energy: 0.9317061516897474
Energy: 0.9298765731219317
Energy: 1.2391011641426177
Energy: 0.9297625798015917
Energy: 0.9307147978181046
Energy: 0.9228462698338066
Energy: 0.931970698554151
Energy: 0.9322624872293822
Energy: 1.220170755081719
Energy: 1.232204723991273
Energy: 1.196902862158379
Energy: 0.9311510237210605
Energy: 1.1969695133743197
Energy: 1.2311733846607522
Energy: 1.2179398525498955
Energy: 1.2300028128114886
Energy: 1.217008474642934
Energy: 1.2423213356911997
Energy: 1.2294082359120786
Energy: 1.2172764142971377
Energy: 1.239650032958708
Energy: 1.2293476240907266
Energy: 1.2295544027982332
Energy: 0.9231433885209673
Energy: 1.2301501695407848
Energy: 1.2176896909995345
Energy: 1.2191678405806834
Energy: 1.2290055439149137
Energy: 1.2174814938426066
Energy: 0.9285010458116479
Energy: 1.2317496609608758
Energy: 0.9319497676097761
Energy: 1.2204839386876611
Energy: 1.198561337978109
Energy: 1.2317890129777591
Energy: 1.266449107136015
Energy: 1.2299405902377443
Energy: 1.0958929892303715
Energy: 1.2199145571071608
Energy: 0.9308738723384559
Energy: 0.9297729512001243
Energy: 1.2645174614831325
Energy: 0.9298739839092685
Energy: 0.9305210077460603
Energy: 1.0701636353469854
Energy: 0.9311174703981008
Energy: 1.2256146588222927
Energy: 0.9346098008154414
Energy: 0.9330830447971219
Energy: 0.9279820912334832
Energy: 1.0695821455298167
Energy: 0.9315881112074902
Energy: 0.9310569294894981
Energy: 1.2613337101595588
Energy: 0.9318950009076052
Energy: 0.9314019294409795
Energy: 1.0734699565769013
Energy: 0.9266883197117731
Energy: 0.9268800867187386
Energy: 1.2412633243668558
Energy: 0.9272267977047098
Energy: 0.9264041040949826
Energy: 1.0734392172227876
Energy: 0.9292495833842814
Energy: 0.930312812192018
Energy: 1.2331958415351378
Energy: 0.929974928402382
Energy: 0.928343508574573
Energy: 0.9286502715602344
Energy: 0.9291369031481037
Energy: 0.932440200668108
Energy: 1.2228793735206058
Energy: 0.931336645877536
Energy: 0.9287324513999463
Energy: 0.9278311232204363
Energy: 0.9344241147749524
Energy: 0.9275405014986255
Energy: 1.2301615253296665
Energy: 0.9298925371054833
Energy: 0.9281166239309269
Energy: 0.9270953412712094
Energy: 0.9272846453806072
Energy: 0.9310099000665498
Energy: 1.2300332501251972
Energy: 0.9281440647454727
Energy: 0.9270584712763692
Energy: 0.9372379425316205
Energy: 0.9365911327523478
Energy: 1.2072314815327658
Energy: 1.196559886829202
Energy: 0.9369195482957309
Energy: 0.9362962782383499
Energy: 1.0707404109467922
Energy: 0.9278361193057088
Energy: 0.9290275225852096
Energy: 1.215738359440769
Energy: 0.9284145146849581
Energy: 0.9264527144525693
Energy: 1.0707919432952824
Energy: 0.929474006225258
Energy: 0.9288160959333555
Energy: 1.261201867390615
Energy: 0.9306219801463094
Energy: 0.9297190749636194
Energy: 1.0775168039922949
Energy: 1.0976957119919695
Energy: 0.9342949086258285
Energy: 0.9291837215316161
Energy: 1.197990178905363
Energy: 0.9325906515449001
Energy: 1.2206966343627281
Energy: 1.1969107472488993
Energy: 0.9345109756951295
Energy: 1.096182206007771
Energy: 0.9319324023625464
Energy: 0.934130835164405
Energy: 1.2138325895133333
Energy: 0.9333058766671757
Energy: 1.0986442439863418
Energy: 1.2588753510221014
Energy: 0.9309021774515006
Energy: 0.9309405128819498
Energy: 1.2209521168757815
Energy: 0.9322434518572059
Energy: 1.2289186835273493
Energy: 1.2167828937258365
Energy: 1.2291656190562508
Energy: 1.0933301232880197
Energy: 1.239432533789595
Energy: 1.2413991983336239
Energy: 1.2169104559336095
Energy: 0.9290079343676971
Energy: 1.2293312011793747
Energy: 1.2308958220842054
Energy: 1.211715415785116
Energy: 1.234098111451895
Energy: 1.230435446036004
Energy: 1.243020748406704
Energy: 1.230349877059348
Energy: 0.9322992038874216
Energy: 1.2395957308782553
Energy: 1.2286013364368147
Energy: 0.9305143424862728
Energy: 0.9330898092492916
Energy: 0.9312053439986245
Energy: 1.229399421834402
Energy: 1.2191878200667785
Energy: 1.0965750359954844
Energy: 0.9314710719808563
Energy: 0.9318743532814303
Energy: 1.0955385771910537
Energy: 1.2356825601008103
Energy: 1.2121876189767424
Energy: 1.196234471287647
Energy: 1.1959517134849926
Energy: 0.9307041449985767
Energy: 0.9317566845524239
Energy: 1.2230117076000055
Energy: 1.2133652315989043
Energy: 1.198531963826588
Energy: 0.9342981979827008
Energy: 1.0775961907238445
Energy: 1.0978998470727006
Energy: 1.2335172359320905
Energy: 1.2218284892362963
Energy: 0.9292697730530725
Energy: 0.9303620454897685
Energy: 0.9300583855795085
Energy: 0.930026493482517
Energy: 0.9294312280478207
Energy: 1.2392108732766043
Energy: 0.9288317855689872
Energy: 0.9267895881666961
Energy: 0.9266292763529607
Energy: 0.9282285293561463
Energy: 0.9292940171371599
Energy: 1.2114655783750392
Energy: 0.932138533529974
Energy: 0.9293759143387322
Energy: 0.9385772033499389
Energy: 0.9315060913382928
Energy: 1.2228022216405297

minimum gb energy = 0.9228462698338066 eV
minimum distance =  2.28843445597466 Angstroms
sigma value = 43


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

Energy: 1.3439613311708676
Energy: 1.0075320066906126
Energy: 1.005057288815238
Energy: 1.0033032875424932
Energy: 1.0158086070448271
Energy: 1.3192769669301019
Energy: 1.2793006602493977
Energy: 1.0061348194258883
Energy: 1.0006322881815182
Energy: 1.0007589071023546
Energy: 1.000656850424577
Energy: 1.1989413516279004
Energy: 1.4031489135829998
Energy: 1.0020960334340476
Energy: 1.0026893919764337
Energy: 1.0036335490829578
Energy: 1.0026403921035525
Energy: 1.0026493878816622
Energy: 1.2710335779621258
Energy: 1.003245879534177
Energy: 1.0033862071836135
Energy: 1.003757929436691
Energy: 1.0036563859990755
Energy: 0.9897148088813916
Energy: 1.2706419604025552
Energy: 1.002665567787728
Energy: 1.002566547594698
Energy: 1.0029689639437056
Energy: 1.0041850673509936
Energy: 0.9898967788516834
Energy: 1.4024690361162273
Energy: 1.001052172837199
Energy: 1.0009945083945122
Energy: 1.0007891670332247
Energy: 1.0013731114425304
Energy: 1.3776370423925814
Energy: 1.4044480335870817
Energy: 1.1985025150058757
Energy: 1.0037414808050276
Energy: 0.9816949764868752
Energy: 1.0040093510398111
Energy: 1.2007290600434224
Energy: 1.5160238946881486
Energy: 1.320157688936603
Energy: 1.2146058183796897
Energy: 0.9797100930446317
Energy: 1.3270298228298973
Energy: 1.3228776907268203
Energy: 1.4039072138261257
Energy: 1.0032107245898576
Energy: 1.0039137812280168
Energy: 0.9883010553674317
Energy: 1.1991123021519825
Energy: 1.1847710784976984
Energy: 1.404265561291825
Energy: 1.2764393021098195
Energy: 1.31589762195126
Energy: 1.2228675452828284
Energy: 1.3157001420050287
Energy: 1.277077466682264
Energy: 1.4034020357229098
Energy: 0.9937812078540496
Energy: 1.3248128172175806
Energy: 1.1820262004715067
Energy: 0.9935055247634705
Energy: 0.9979246409537555
Energy: 1.4037705764904982
Energy: 1.2774800223932805
Energy: 1.282364223583414
Energy: 1.3207584511053316
Energy: 1.2769175001067
Energy: 0.9977569790339137
Energy: 1.2744758985053273
Energy: 0.9936081398700513
Energy: 1.321345194474908
Energy: 0.9884534275645653
Energy: 1.2791703644020993
Energy: 0.9937941666295647
Energy: 1.2734229663627492
Energy: 0.987911821599902
Energy: 1.3299279170964011
Energy: 1.205775584951826
Energy: 0.9966963233634029
Energy: 0.9798731891355497
Energy: 1.2876752205643698
Energy: 0.9813369446975704
Energy: 0.9796325654362111
Energy: 0.9802324912719742
Energy: 0.9798572224743202
Energy: 0.9810377667683843
Energy: 1.080100354036871
Energy: 0.9799701381726268
Energy: 0.9912532843385055
Energy: 0.9897177026224847
Energy: 0.9900155122490543
Energy: 1.0110580015517223
Energy: 1.091928628292406
Energy: 0.9837331006332118
Energy: 0.9791957908976492
Energy: 0.9817002716270393
Energy: 0.9866696941202384
Energy: 0.9815387433139883
Energy: 1.0905166565650222
Energy: 0.9816466381587186
Energy: 0.9801440504495668
Energy: 1.3418636743422845
Energy: 0.9827188957560039
Energy: 0.9833802462136154
Energy: 1.0856486864349586
Energy: 0.9808945510192913
Energy: 0.9804894151876572
Energy: 0.9878148417449416
Energy: 0.9803414003798626
Energy: 0.9806216674589913
Energy: 1.206314127795263
Energy: 0.9803269873259944
Energy: 0.9801709351226912
Energy: 1.3221981335082407
Energy: 0.9800990542694864
Energy: 0.9807526778898519
Energy: 1.2071779110199685
Energy: 0.9950101813723211
Energy: 0.9946770298273329
Energy: 1.1990951340895042
Energy: 0.9936447967855304
Energy: 0.9947482842308999
Energy: 1.2056541345294995
Energy: 0.9800404971081745
Energy: 1.3180470934754676
Energy: 0.9801689929076467
Energy: 0.9808635270956415
Energy: 0.9809536967391189
Energy: 1.205409685086733
Energy: 0.9799935443723531
Energy: 1.3347465238837153
Energy: 0.9917461658411849
Energy: 1.3345490849036958
Energy: 0.9805302979403682
Energy: 1.2783080021539182
Energy: 0.9798730528459053
Energy: 0.980306177586709
Energy: 0.9881999340717417
Energy: 0.9801384585987172
Energy: 0.9802127257718863
Energy: 1.403257870239175
Energy: 1.3171976261989238
Energy: 1.0054175648726011
Energy: 0.9892636669333591
Energy: 1.3193024924518193
Energy: 0.9797767578336898
Energy: 1.4033191814657957
Energy: 1.3253283136659446
Energy: 1.0066425892089865
Energy: 1.0055762384500264
Energy: 1.0042886953831063
Energy: 1.318253450656243
Energy: 1.2798818552485713
Energy: 1.0054847507373317
Energy: 1.007383990267989
Energy: 1.006579912453629
Energy: 1.323407658415251
Energy: 1.283889036353167
Energy: 1.2797389184439685
Energy: 1.007288192996937
Energy: 1.0059450269902548
Energy: 1.1901483696531252
Energy: 1.0046144185847647
Energy: 0.991209129229843
Energy: 1.4038533097639125
Energy: 1.0076382217977955
Energy: 1.0048886625016435
Energy: 1.0037597175601969
Energy: 1.0053692728785724
Energy: 1.3401505870801012
Energy: 1.4044815312399404
Energy: 1.0011184783202778
Energy: 1.0011668679186452
Energy: 1.0015951364365485
Energy: 1.0019888470226588
Energy: 1.0030707504173602
Energy: 1.2793761003216007
Energy: 1.0041055115144708
Energy: 1.0043199879710252
Energy: 1.018373048421251
Energy: 1.0049947256042249
Energy: 0.9937698530960186

minimum gb energy = 0.9791957908976492 eV
minimum distance =  2.28809676157308 Angstroms
sigma value = 57


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

Energy: 1.8026730326612974
Energy: 1.4408409404988891
Energy: 1.0614090413705854
Energy: 1.0641645029931976
Energy: 1.0829941904483513
Energy: 1.440734510984497
Energy: 1.0613838723419888
Energy: 1.0616405403323208
Energy: 1.0609645682834785
Energy: 1.0611792839034309
Energy: 1.0611508616322793
Energy: 1.2964761453846136
Energy: 1.0822744448163741
Energy: 1.272578310296904
Energy: 1.0631236709982794
Energy: 1.0680844896912407
Energy: 1.0625945894725812
Energy: 1.454317950361891
Energy: 1.0577835677450573
Energy: 1.0626697463140553
Energy: 1.0654851715381057
Energy: 1.0643029320881958
Energy: 1.0651250380640351
Energy: 1.062438771933065
Energy: 1.0577979716715393
Energy: 1.0623899216780535
Energy: 1.0632184137224783
Energy: 1.0629981359534442
Energy: 1.0650598391571093
Energy: 1.0578791723660919
Energy: 1.0792498440645806
Energy: 1.071431344170602
Energy: 1.062535554360435
Energy: 1.0612482847474747
Energy: 1.0630091030705588
Energy: 1.3170256179504254
Energy: 1.06098226358163
Energy: 1.4402014879409908
Energy: 1.0636301728287811
Energy: 1.0638452051102787
Energy: 1.0656621683479541
Energy: 1.2985773261721951
Energy: 1.0595491124312186
Energy: 1.4400805420346363
Energy: 1.3169268817959785
Energy: 1.0635271759869702
Energy: 1.4547750101548125
Energy: 1.0639885349835976
Energy: 1.0628141601921184
Energy: 1.3174440706970536
Energy: 1.05982062203291
Energy: 1.0579112705163676
Energy: 1.4393769758633226
Energy: 1.2947328812696217
Energy: 1.0633004307808254
Energy: 1.0651300269645798
Energy: 1.295023477219867
Energy: 1.0565190373896478
Energy: 1.4396731042873079
Energy: 1.0674325058829837
Energy: 1.0645510670799099
Energy: 1.0627471670359991
Energy: 1.45610297800404
Energy: 1.06234329040047
Energy: 1.0627900404997712
Energy: 1.0607216519790772
Energy: 1.062685855875957
Energy: 1.0647071876679863
Energy: 1.062764283812733
Energy: 1.0935209115297218
Energy: 1.0624004574718318
Energy: 1.0625379376270305
Energy: 1.061720542957368
Energy: 1.0666753327842533
Energy: 1.4571761334021565
Energy: 1.0570960745053417
Energy: 1.0629196229733582
Energy: 1.0664618841872044
Energy: 1.0668511728296737
Energy: 1.0678133554693268
Energy: 1.4311058312905507
Energy: 1.0620346847342188
Energy: 1.0624249696513384
Energy: 1.067776041852899
Energy: 1.060921946612465
Energy: 1.0608017781329893
Energy: 1.43166246349309
Energy: 1.0684071293678896
Energy: 1.0621997386585122
Energy: 1.0606352510101675
Energy: 1.0604346433058724
Energy: 1.0689969712363445
Energy: 1.0625686014406788
Energy: 1.060379532471279
Energy: 1.062806672090906
Energy: 1.0617630678535457
Energy: 1.0645662517242218
Energy: 1.0650955307468588
Energy: 1.0617088624505486
Energy: 1.0657597975522832
Energy: 1.0617878355147907
Energy: 1.0612259035004243
Energy: 1.0641156156680491
Energy: 1.064573293277065
Energy: 1.294375150931031
Energy: 1.0664848542407503
Energy: 1.0625344335428708
Energy: 1.0617976374861076
Energy: 1.079512926866379
Energy: 1.2958146607998846
Energy: 1.2946852040487458
Energy: 1.0633347222172218
Energy: 1.4406187015405627
Energy: 1.0657591531480302
Energy: 1.0608444427924268
Energy: 1.2958582837400219
Energy: 1.2946852540265559
Energy: 1.2939394104077124
Energy: 1.4419123309691912
Energy: 1.3008874060636433
Energy: 1.0586996872263241
Energy: 1.4406680156578142
Energy: 1.2960206498396822
Energy: 1.0800005083288144
Energy: 1.4386539096842073
Energy: 1.0575910518503016
Energy: 1.0622137053455258
Energy: 1.443231581919228
Energy: 1.0635669366098235
Energy: 1.0645251205570685
Energy: 1.065720790825703
Energy: 1.2950748156668945
Energy: 1.0825916720475024
Energy: 1.4329218289726218
Energy: 1.0622289671090666
Energy: 1.0650777600105095
Energy: 1.0636356419003032
Energy: 1.0868665052102238
Energy: 1.0566313158462501
Energy: 1.0632605162322921
Energy: 1.0647283103137444
Energy: 1.062401076895503
Energy: 1.0657287751119804
Energy: 1.0570431817542072

minimum gb energy = 1.0565190373896478 eV
minimum distance =  2.30326713627167 Angstroms
sigma value = 17


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

Energy: 2.335704275856916
Energy: 1.598537880644568
Energy: 1.152617004299604
Energy: 1.139417996105541
Energy: 1.1831266381939305
Energy: 1.5978786788261978
Energy: 1.1339713144488357
Energy: 1.2571807702069893
Energy: 1.1406257769390125
Energy: 1.1422192124630093
Energy: 1.140335370127924
Energy: 1.1448916267449099
Energy: 1.1548715752218197
Energy: 1.4068575262781546
Energy: 1.1370230225699407
Energy: 1.1391347626159554
Energy: 1.1368106262661049
Energy: 1.1810998553633534
Energy: 1.1474165705392845
Energy: 1.143089532092171
Energy: 1.1460965266869478
Energy: 1.1430728895968565
Energy: 1.1455368532378427
Energy: 1.2564594605862414
Energy: 1.147783520103014
Energy: 1.2580115521658108
Energy: 1.1442359228913919
Energy: 1.1568390724928292
Energy: 1.1438366035976395
Energy: 1.2561534939003391
Energy: 1.154442444512659
Energy: 1.2566689180351582
Energy: 1.4052191246636447
Energy: 1.134302522514416
Energy: 1.4046405036206777
Energy: 1.156982031941455
Energy: 1.1564289437071111
Energy: 1.1444827550480936
Energy: 1.1430642496549177
Energy: 1.1544688289993656
Energy: 1.256937571634017
Energy: 1.1438050449086314
Energy: 1.1529511283567384
Energy: 1.405955022955559
Energy: 1.1562805734377408
Energy: 1.1544067586090396
Energy: 1.4045053360077593
Energy: 1.140363766689285
Energy: 1.1554854478948275
Energy: 1.142667150364064
Energy: 1.5883487799056037
Energy: 1.133956261438397
Energy: 1.1431122552967719
Energy: 1.1544496439996434
Energy: 1.1451174722735302
Energy: 1.1426589467362236
Energy: 1.2581822744043036
Energy: 1.1607624603198956
Energy: 1.1431913478180877
Energy: 1.1427391819390325
Energy: 1.1388321144943188
Energy: 1.1379476628886003
Energy: 1.143466652801002
Energy: 1.158697872922725
Energy: 1.137339091512621
Energy: 1.1378514887667324
Energy: 1.1422003816018962
Energy: 1.1438898867433491
Energy: 1.2586628644241697
Energy: 1.1340040670360076
Energy: 1.1428184407999262
Energy: 1.1439923396266047
Energy: 1.1550824702256828
Energy: 1.143615776534963
Energy: 1.4108008978022375
Energy: 1.132192142250515
Energy: 1.142680413533822
Energy: 1.154443596019846
Energy: 1.1325203218775042
Energy: 1.40689319153488
Energy: 1.2494251373770144
Energy: 1.1546625255894756
Energy: 1.4073401640641496
Energy: 1.132184154966352
Energy: 1.1561208975157773
Energy: 1.1443003533615759
Energy: 1.1448266490429801
Energy: 1.1542268463772685
Energy: 1.256767787377143
Energy: 1.1442837161268071
Energy: 1.1569357681919388
Energy: 1.1519195601360628
Energy: 1.4078721649120507
Energy: 1.1373984541864335
Energy: 1.406236019836241
Energy: 1.1570236241328902
Energy: 1.131937628810747
Energy: 1.2561109581400174
Energy: 1.1439570053033925
Energy: 1.1556282797930215
Energy: 1.1439647632955103
Energy: 1.1356607831582899

minimum gb energy = 1.131937628810747 eV
minimum distance =  2.28758786941814 Angstroms
sigma value = 17


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

Energy: 1.3182969510963083
Energy: 1.190715515789031
Energy: 1.1908605132491705
Energy: 1.1911754109335702
Energy: 1.1914355029687418
Energy: 1.172922962344037
Energy: 1.220221958898832
Energy: 1.19480206190203
Energy: 1.1971461077896177
Energy: 1.2016047569678907
Energy: 1.1957178438446512
Energy: 1.2051696657546938
Energy: 1.192806985100596
Energy: 1.3135427183767798
Energy: 1.1958658393705077
Energy: 1.199509163397912
Energy: 1.1960333342016476
Energy: 1.1454507570849293
Energy: 1.3568450053212133
Energy: 1.5125886215676285
Energy: 1.195545553737977
Energy: 1.1927970125603498
Energy: 1.1942167072732384
Energy: 1.3656555672218518
Energy: 1.1915375399511954
Energy: 1.3641159778158636
Energy: 1.3577337111952001
Energy: 1.1924361411064226
Energy: 1.3567810271689513
Energy: 1.3664751486814772
Energy: 1.1959901141998814
Energy: 1.1988387011873682
Energy: 1.3400900489070013
Energy: 1.166057742253054
Energy: 1.368221295072604
Energy: 1.197968914552119
Energy: 1.2040363157747753
Energy: 1.1990733941700102
Energy: 1.357902950580961
Energy: 1.2924379649106232
Energy: 1.1925650007789248
Energy: 1.1980631451040444
Energy: 1.1972665485019554
Energy: 1.196364036536848
Energy: 1.195503336947544
Energy: 1.1924362121066947
Energy: 1.1966773463220448
Energy: 1.196310203547028
Energy: 1.1948409567109617
Energy: 1.2036256376809351
Energy: 1.1622567877641627
Energy: 1.218031211725931
Energy: 1.2007725296299072
Energy: 1.2044220315733596
Energy: 1.3517510264753962
Energy: 1.1994215404778508
Energy: 1.1967688016589495
Energy: 1.3526635611812718
Energy: 1.1967896096731063
Energy: 1.199367019752918
Energy: 1.4351465514984567
Energy: 1.1959937992509673
Energy: 1.1614542727618393
Energy: 1.3018608017279614
Energy: 1.1998586173296975
Energy: 1.1964841731930584
Energy: 1.3369687248024478
Energy: 1.194329783101104
Energy: 1.164978533129644
Energy: 1.1660495086951859
Energy: 1.5012676698392373
Energy: 1.2027478035066441
Energy: 1.3284319121777717
Energy: 1.5017357001149005
Energy: 1.1660843801250318
Energy: 1.1730509724925677
Energy: 1.3947356165753177
Energy: 1.1928682723221788
Energy: 1.2725165421226698
Energy: 1.1654533109053704
Energy: 1.178559555817683
Energy: 1.1617255639078445
Energy: 1.1646326173638832
Energy: 1.5354458819373653
Energy: 1.5278142732611886
Energy: 1.1624148074749956
Energy: 1.1626810561801606
Energy: 1.1630969402616442
Energy: 1.1626442052145236
Energy: 1.4979950657695174
Energy: 1.3261064677759606
Energy: 1.1574728220950419
Energy: 1.1605686752598625
Energy: 1.1628170530186617
Energy: 1.1606351454108974
Energy: 1.1818347239576963
Energy: 1.3879179692545973
Energy: 1.2939905972426957
Energy: 1.1605726452643406
Energy: 1.1589925531534624
Energy: 1.1616783020615582
Energy: 1.4639566104978758
Energy: 1.386606554896719
Energy: 1.3121303485276088
Energy: 1.256337448002071
Energy: 1.1911554013288068
Energy: 1.2567023863953224
Energy: 1.4640074266426895
Energy: 1.2756635858767926
Energy: 1.3161933043886846
Energy: 1.3147552614289473
Energy: 1.1396101750260301
Energy: 1.3155027415265117
Energy: 1.1379101573234398
Energy: 1.4907295422046076
Energy: 1.1342792114998907
Energy: 1.2560859314576232
Energy: 1.1331449911094613
Energy: 1.31257846204589
Energy: 1.134238458823185
Energy: 1.5012863975074706
Energy: 1.1332235817892418
Energy: 1.13484375979792
Energy: 1.2319218769778333
Energy: 1.1341351491725022
Energy: 1.133764354567648
Energy: 1.2200917254407628
Energy: 1.1376972446527596
Energy: 1.132904583655069
Energy: 1.5376916617323422
Energy: 1.1323231837192533
Energy: 1.136779713194656
Energy: 1.2607300487383617
Energy: 1.1387311178828008
Energy: 1.1319343088538778
Energy: 1.1972573198337793
Energy: 1.1327014862015556
Energy: 1.1379940579251253
Energy: 1.2575891321376038
Energy: 1.1339379522969721
Energy: 1.3225388008201653
Energy: 1.232185583572964
Energy: 1.1340742408716016
Energy: 1.1345600985175461
Energy: 1.2570433474805796
Energy: 1.1372393098378353
Energy: 1.4587816652498606
Energy: 1.1399335019637482
Energy: 1.2995072268252215
Energy: 1.1373755521511881
Energy: 1.2618955184195662
Energy: 1.3014324610159291
Energy: 1.4637989608808155
Energy: 1.1385980479912399
Energy: 1.3022026032728296
Energy: 1.1355334861908892
Energy: 1.3099359642536468
Energy: 1.4836973137873857
Energy: 1.3384247784243943
Energy: 1.2042717487252224
Energy: 1.46340936904625
Energy: 1.165952729340457
Energy: 1.136975214455285
Energy: 1.3167481806908827
Energy: 1.2208674125826455
Energy: 1.2180456525486631
Energy: 1.2211441259933438
Energy: 1.3013251189507793
Energy: 1.2675393059168456
Energy: 1.2145302987983133
Energy: 1.2146118449566161
Energy: 1.2167354666485308
Energy: 1.2147701445460346
Energy: 1.1448385569615294
Energy: 1.3031443347270772
Energy: 1.354882456032991
Energy: 1.2204565981336122
Energy: 1.2173928398877751
Energy: 1.2210861490659746
Energy: 1.161198366625733
Energy: 1.5400821892407361
Energy: 1.2440837766868202
Energy: 1.2196982729348216
Energy: 1.3557375114598549
Energy: 1.2200301973280525
Energy: 1.1611551023132487
Energy: 1.266398081307458
Energy: 1.3544002656610423
Energy: 1.213932344650821
Energy: 1.2183351763277344
Energy: 1.2143863922866023
Energy: 1.1466692506296974
Energy: 1.259870544557663
Energy: 1.1450292479941664
Energy: 1.2202306631353048
Energy: 1.2204396660034227
Energy: 1.3552047591660374
Energy: 1.1451677968857843
Energy: 1.3829353569767784
Energy: 1.3788397229832716
Energy: 1.2398089266565406
Energy: 1.2452931306074695
Energy: 1.3789038281009203
Energy: 1.1394647213546643
Energy: 1.2604989058658707
Energy: 1.1460292964857046
Energy: 1.5355617431672566
Energy: 1.137178770132631
Energy: 1.377568870262247
Energy: 1.1459216674719153
Energy: 1.1407520678182848
Energy: 1.1466521696023704
Energy: 1.3753550798959582
Energy: 1.1380492941647435
Energy: 1.1452476485587446
Energy: 1.1460756463771427
Energy: 1.1415862118706002
Energy: 1.1410677503091533
Energy: 1.1385589723036598
Energy: 1.2803108474607714
Energy: 1.141691988965995
Energy: 1.1410622167659774
Energy: 1.1466193978236232
Energy: 1.1451722776665552
Energy: 1.3612721226109348
Energy: 1.21884025273651
Energy: 1.1481416107623308
Energy: 1.1454785624363675
Energy: 1.1423241873135175
Energy: 1.3169456785934956
Energy: 1.4899135448195648
Energy: 1.2187357768380722
Energy: 1.1465792689717587
Energy: 1.1442050862737838
Energy: 1.572807143863844
Energy: 1.3210667863746681
Energy: 1.371538730134435
Energy: 1.268311520719318
Energy: 1.368605034280976
Energy: 1.1421784041722765
Energy: 1.3971163722315219
Energy: 1.1403276393446304
Energy: 1.1990603471907355
Energy: 1.192359557419943
Energy: 1.1905660938101437
Energy: 1.146182760646209
Energy: 1.1398456660234524
Energy: 1.42840841038686
Energy: 1.1938930536638
Energy: 1.1950952500619154
Energy: 1.1937582539192106
Energy: 1.1464128805622713
Energy: 1.3634034876517263
Energy: 1.1943665140446074
Energy: 1.1960404118230665
Energy: 1.1996694456641093
Energy: 1.1962702989297564
Energy: 1.160844963816549

minimum gb energy = 1.1319343088538778 eV
minimum distance =  2.2429231555618 Angstroms
sigma value = 57


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

Energy: 1.765445594989742
Energy: 1.1772143573200176
Energy: 1.2200374579562951
Energy: 1.409707838489148
Energy: 1.2354748866532794
Energy: 1.1706100387236398
Energy: 1.2438557126026657
Energy: 1.2076380519856063
Energy: 1.21368424376291
Energy: 1.2207574554114684
Energy: 1.2133752993945133
Energy: 1.2162896117688713
Energy: 1.2762855663869332
Energy: 1.3668984688650747
Energy: 1.2116309999633463
Energy: 1.2158232204541255
Energy: 1.211625024400978
Energy: 1.2773922366632384
Energy: 1.7474514871228015
Energy: 1.4600939016862766
Energy: 1.2088441742728635
Energy: 1.2063461397239212
Energy: 1.2040729835281514
Energy: 1.4563029801747487
Energy: 1.2423311447336767
Energy: 1.4552770832462048
Energy: 1.3644838439490294
Energy: 1.1525349902077768
Energy: 1.3682793432279614
Energy: 1.4546756048740854
Energy: 1.2435311414143535
Energy: 1.2347620142468223
Energy: 1.1479880646772402
Energy: 1.155510698245872
Energy: 1.2423107781194707
Energy: 1.2447369856249506
Energy: 1.2496163211925575
Energy: 1.240475342357062
Energy: 1.367502695947611
Energy: 1.2174882651638617
Energy: 1.228064584288283
Energy: 1.240414548307122
Energy: 1.241165984635528
Energy: 1.2393040498937318
Energy: 1.246159577290254
Energy: 1.2216765240095915
Energy: 1.2357788301295984
Energy: 1.2394083993633724
Energy: 1.2398492199203983
Energy: 1.2402234716537572
Energy: 1.2212778414270655
Energy: 1.2297459915433238
Energy: 1.2419444812098666
Energy: 1.2457983583678889
Energy: 1.2768936725764644
Energy: 1.237009010460063
Energy: 1.2496492400554402
Energy: 1.2637476599916315
Energy: 1.246417433103926
Energy: 1.2384192416966244
Energy: 1.4449664198734313
Energy: 1.2452216286313544
Energy: 1.1078705187827604
Energy: 1.3363927236934001
Energy: 1.2710893116853037
Energy: 1.2450475828238659
Energy: 1.2667046392658283
Energy: 1.2666113879098613
Energy: 1.1072979320795426
Energy: 1.113860528964981
Energy: 1.1066854259882242
Energy: 1.23814775345323
Energy: 1.2446980518046653
Energy: 1.1041286887894535
Energy: 1.105942213376681
Energy: 1.1123986785664772
Energy: 1.1045581954868509
Energy: 1.4095123110441805
Energy: 1.8725984566197593
Energy: 1.1072188561453842
Energy: 1.122628196268058
Energy: 1.3123581009902767
Energy: 1.106272750754305
Energy: 1.1033507725397187
Energy: 1.2810847035148356
Energy: 1.1050063428408285
Energy: 1.1078155434122816
Energy: 1.112478770485246
Energy: 1.1071973021151047
Energy: 1.1034141860825533
Energy: 1.2671546673408658
Energy: 1.1081602048100065
Energy: 1.1049822985677518
Energy: 1.1055033679549078
Energy: 1.1049196625018378
Energy: 1.3005856419706194
Energy: 1.7525351583061382
Energy: 1.2402275422973876
Energy: 1.106680750232433
Energy: 1.1047781756872186
Energy: 1.1069516485420523
Energy: 1.4583237355487044
Energy: 1.2718136593849958
Energy: 1.4600652995476195
Energy: 1.376063240828304
Energy: 1.2260887912640666
Energy: 1.370017363584749
Energy: 1.4576802898495664
Energy: 1.2392398984660364
Energy: 1.2436085465068571
Energy: 1.3492711156974462
Energy: 1.1593360537250643
Energy: 1.246570743532259
Energy: 1.2303210378376752
Energy: 1.2513840483173555
Energy: 1.2421421359727411
Energy: 1.374332507987204
Energy: 1.2169481207114918
Energy: 1.226895727294095
Energy: 1.2418510500184596
Energy: 1.2409529297907305
Energy: 1.2394927664466393
Energy: 1.2357676522566328
Energy: 1.3107954434232125
Energy: 1.2398636612878844
Energy: 1.2395312954378352
Energy: 1.2383635585927444
Energy: 1.2425629218146166
Energy: 1.442479746634442
Energy: 1.4469357330977153
Energy: 1.2450764516160648
Energy: 1.240981224239507
Energy: 1.2686809506283185
Energy: 1.2433713744536319
Energy: 1.4397055826053387
Energy: 1.24001689724174
Energy: 1.4183895080735291
Energy: 1.242093932592211
Energy: 1.4475448536918687
Energy: 1.2414197902805062
Energy: 1.2110022636483675
Energy: 1.2322897630686434
Energy: 1.4392315301064027
Energy: 1.2409367854834914
Energy: 1.265266680412035
Energy: 1.418663333010774
Energy: 1.216151403017304
Energy: 1.225173433235253
Energy: 1.2134605394507374
Energy: 1.244017121264865
Energy: 1.275211172041178
Energy: 1.2144439619800804
Energy: 1.2135910832079488
Energy: 1.2155321310615508
Energy: 1.211048315775629
Energy: 1.2344880810263337
Energy: 1.7531649329524779
Energy: 1.2062435625277412
Energy: 1.2252295900248156
Energy: 1.2319446703993155
Energy: 1.2120783066258378
Energy: 1.1536451300900454

minimum gb energy = 1.1033507725397187 eV
minimum distance =  2.26940523352847 Angstroms
sigma value = 43


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

Energy: 1.28908634999929
Energy: 1.2234300769015116
Energy: 1.2274614933041146
Energy: 1.2289523001664184
Energy: 1.2272288560213394
Energy: 1.6375334375298676
Energy: 1.2721031640111677
Energy: 1.2278582859632063
Energy: 1.228249209655679
Energy: 1.2268804865094105
Energy: 1.228517490012994
Energy: 1.223231050825706
Energy: 1.2922059290289616
Energy: 1.2698035925898747
Energy: 1.2259703581546209
Energy: 1.2306062820719186
Energy: 1.2263682668875298
Energy: 1.162473734591564
Energy: 1.28204095969931
Energy: 1.4212943700788068
Energy: 1.2222528837865652
Energy: 1.2204513018969954
Energy: 1.2216299762657001
Energy: 1.1605740605414323
Energy: 1.5478610918643423
Energy: 1.1612098674653772
Energy: 1.4379961694729497
Energy: 1.2813403325890136
Energy: 1.2791990583203445
Energy: 1.1613219521557256
Energy: 1.1599916814658935
Energy: 1.1605402926646076
Energy: 1.1609764142857852
Energy: 1.1625197004880532
Energy: 1.1610405062336575
Energy: 1.1618839792984856
Energy: 1.169578318052738
Energy: 1.1610659291914676
Energy: 1.2717370941494437
Energy: 1.2285788831443858
Energy: 1.1595911260858998
Energy: 1.1608116232399215
Energy: 1.1654863617696172
Energy: 1.1601738354065134
Energy: 1.2684770606500417
Energy: 1.2265110759294149
Energy: 1.1616818767273223
Energy: 1.1600256893053527
Energy: 1.1586194393129479
Energy: 1.1576437733530387
Energy: 1.1608884977877696
Energy: 1.157930645449267
Energy: 1.160349003579924
Energy: 1.1595649714519332
Energy: 1.4319046346890298
Energy: 1.1623640256664611
Energy: 1.4376455948812505
Energy: 1.3394673932172447
Energy: 1.280550915488386
Energy: 1.1619880265228546
Energy: 1.2755034662510847
Energy: 1.4211001483704662
Energy: 1.2189694288802744
Energy: 1.219375996436978
Energy: 1.2667911292357628
Energy: 1.1582184506109143
Energy: 1.260740521382523
Energy: 1.2730752474934994
Energy: 1.2269634952238146
Energy: 1.2334452888114473
Energy: 1.2271671616038538
Energy: 1.1622195011967824
Energy: 1.160772146983779
Energy: 1.227325486950223
Energy: 1.2273461973456603
Energy: 1.2337900927908823
Energy: 1.2273594068182347
Energy: 1.4254982629047857
Energy: 1.5400731482714156
Energy: 1.223995048853755
Energy: 1.2211401485614912
Energy: 1.2216759629128573
Energy: 1.2210805054419904
Energy: 1.2882383603064893
Energy: 1.2222309807332623
Energy: 1.2298707888112081
Energy: 1.228528695110205
Energy: 1.225945895879388
Energy: 1.2273144978362969
Energy: 1.2247928825537622
Energy: 1.2685306559219443
Energy: 1.2238199508248284
Energy: 1.2264485391613216
Energy: 1.228677103157072
Energy: 1.2264481174249617
Energy: 1.2210336399006727
Energy: 1.5450188900036437
Energy: 1.2273005936187098
Energy: 1.2230600545830137
Energy: 1.2803386372325132
Energy: 1.3872666521536405
Energy: 1.2270021286619364
Energy: 1.5457740665713369
Energy: 1.2265361847391751
Energy: 1.224265619483149
Energy: 1.2690953261221811
Energy: 1.2294149883529992
Energy: 1.2283693704163374
Energy: 1.229682739711074
Energy: 1.2272175971714196
Energy: 1.2233298450562835
Energy: 1.6401567034197464
Energy: 1.226694890568097
Energy: 1.2272082119719572
Energy: 1.23611696653072
Energy: 1.2282394194193667
Energy: 1.224222445370064
Energy: 1.1582893116481876
Energy: 1.227157272595649
Energy: 1.228119081575273
Energy: 1.2292416756231
Energy: 1.2260239758785787
Energy: 1.1636473229388598
Energy: 1.2798623327927492
Energy: 1.219123815312597
Energy: 1.22601800007276
Energy: 1.224172407450508
Energy: 1.2191009041101069
Energy: 1.1615288163892696
Energy: 1.1599588289976046
Energy: 1.1604805662961648
Energy: 1.22097145908394
Energy: 1.2902087219346554
Energy: 1.279241876714588
Energy: 1.161482319064193
Energy: 1.2257818992230238
Energy: 1.1604483493178852
Energy: 1.4397771630820884
Energy: 1.7862498858787144
Energy: 1.160447726137222
Energy: 1.1590962702482974
Energy: 1.1599183468992895
Energy: 1.1580799671986748
Energy: 1.1609155434946736
Energy: 1.2269937689582968
Energy: 1.1605719163292256
Energy: 1.160940979325259
Energy: 1.1595465968082606
Energy: 1.16137195009789
Energy: 1.2793103092523594
Energy: 1.2272000734253958
Energy: 1.1601139062314565
Energy: 1.1601648068422545
Energy: 1.1664469145684015
Energy: 1.1604565078803835
Energy: 1.2922414535060298
Energy: 1.5424682370408187
Energy: 1.1586421794101218
Energy: 1.1572842136182926
Energy: 1.1588749883783958
Energy: 1.1582346605805651
Energy: 1.1561855892547648
Energy: 1.216652584843525
Energy: 1.4369620782271748
Energy: 1.1622615614825431
Energy: 1.228319623777542
Energy: 1.1616266417334595
Energy: 1.437875032663406
Energy: 1.219459125554844
Energy: 1.2261067077337573
Energy: 1.161875933949379
Energy: 1.1584413910129048
Energy: 1.1602817726037615
Energy: 1.220733850474441
Energy: 1.2321426993040088
Energy: 1.2270275599027156
Energy: 1.1636996559596964
Energy: 1.2271108876634784
Energy: 1.2188626845103774
Energy: 1.2268205629954894
Energy: 1.232736867079872
Energy: 1.2274339270282282
Energy: 1.224386210376744
Energy: 1.1607014951473107
Energy: 1.2278750360287243
Energy: 1.227338973523024
Energy: 1.2213720685474476
Energy: 1.22068275120696
Energy: 1.159022832009049
Energy: 1.1577693151856407
Energy: 1.2217423989645007
Energy: 1.220490693567154
Energy: 1.5478725941974676
Energy: 1.227305464395997
Energy: 1.224388865645282
Energy: 1.213431102252327
Energy: 1.2298792423324127
Energy: 1.2288567443185447
Energy: 1.2934845695470643
Energy: 1.2264962406752162
Energy: 1.2212895561692496
Energy: 1.258898083817317
Energy: 1.3851158711022757
Energy: 1.2265852105375452
Energy: 1.2799448517132286
Energy: 1.2234408948372806
Energy: 1.2269940031131712
Energy: 1.2263362451796667
Energy: 1.2269055736584227
Energy: 1.2272891613256762
Energy: 1.2690674755713551
Energy: 1.2234576099809857
Energy: 1.2265538869332835
Energy: 1.2262833231923336
Energy: 1.2259422512302225
Energy: 1.2242306383416939

minimum gb energy = 1.1561855892547648 eV
minimum distance =  2.24515673038745 Angstroms
sigma value = 81


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

Energy: 1.1773713373290897
Energy: 1.1776710562488748
Energy: 1.1854198000840652
Energy: 1.1874600843496337
Energy: 1.4997532315968796
Energy: 1.1773330161492506
Energy: 1.177704557478179
Energy: 1.3203224478367586
Energy: 1.1854645032874525
Energy: 1.185702272382891
Energy: 1.186021209318479
Energy: 1.3163724185947734
Energy: 1.3179484482095005
Energy: 1.316218350830758
Energy: 1.1859529889262452
Energy: 1.1858864831229328
Energy: 1.1852759006448024
Energy: 1.3166530499350686
Energy: 1.3166016275263217
Energy: 1.3162583569284259
Energy: 1.1864643584897816
Energy: 1.1858345319244745
Energy: 1.3168175416656642
Energy: 1.3164231535612183
Energy: 1.3161627317907565
Energy: 1.318673676464023
Energy: 1.185791283484459
Energy: 1.1776041054084492
Energy: 1.3183402988019124
Energy: 1.3166103726378262
Energy: 1.1855008003975702
Energy: 1.1853027990137046
Energy: 1.177529322559633
Energy: 1.1804052058793908
Energy: 1.3161248921717994
Energy: 1.1856748605152503
Energy: 1.1852439093685907
Energy: 1.185379525617524
Energy: 1.3161108856024752
Energy: 1.1856238124076612
Energy: 1.3186089670646568
Energy: 1.1858247424808617
Energy: 1.185715892415554
Energy: 1.185692347078653
Energy: 1.3165446697600025
Energy: 1.316120871995393
Energy: 1.3166209785190253
Energy: 1.1861311382267512
Energy: 1.1863272065558965
Energy: 1.186364530545606
Energy: 1.316342672831454
Energy: 1.3165048419820118
Energy: 1.3165382513500297
Energy: 1.186396227161896
Energy: 1.1775647078063614
Energy: 1.1856272750764052
Energy: 1.3164180543156652
Energy: 1.3162175045612672
Energy: 1.317764502887699
Energy: 1.1856886192680254

minimum gb energy = 1.1773330161492506 eV
minimum distance =  2.27271644375239 Angstroms
sigma value = 3


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

Energy: 2.3818369596751965
Energy: 1.2184707326829536
Energy: 1.1481001269566284
Energy: 1.1486025134765294
Energy: 1.1458948166325709
Energy: 1.1598480893307277
Energy: 1.1276157152147477
Energy: 1.1473334270177362
Energy: 1.1467266646553638
Energy: 1.3887389257763303
Energy: 1.1473530945137245
Energy: 1.145964371543565
Energy: 1.385286806613247
Energy: 1.2590575321228463
Energy: 1.1464296516256602
Energy: 1.3872934964864436
Energy: 1.1468008568453536
Energy: 1.3734762727625192
Energy: 1.3876265204038718
Energy: 1.1466867968544956
Energy: 1.1461619537315269
Energy: 1.1469708980621796
Energy: 1.259498753417183
Energy: 1.1465014462429102
Energy: 1.3859737191307746
Energy: 1.1467443311511152
Energy: 1.1472427405267231
Energy: 1.2296928417588218
Energy: 1.1469936763214468
Energy: 1.3852693498955189
Energy: 1.2055318541960147
Energy: 1.2098266987701347
Energy: 1.255438917848028
Energy: 1.1443003403898546
Energy: 1.14459613998038
Energy: 1.213248669070447
Energy: 1.5961001442346627
Energy: 1.1467752494612866
Energy: 1.2263876645512564
Energy: 1.1436406055123105
Energy: 1.147776364045834
Energy: 1.3847795139060575
Energy: 1.595232678296551
Energy: 1.1476402336984475
Energy: 1.1464263893859346
Energy: 1.146128386363442
Energy: 1.147120022693162
Energy: 1.1464431366945482
Energy: 1.1462163893773525
Energy: 1.1462449243682697
Energy: 1.1452041695401265
Energy: 1.1468925398811407
Energy: 1.1451098746143011
Energy: 1.2390405596124594
Energy: 1.2321687171778195
Energy: 1.1459625538912923
Energy: 1.1460405097512463
Energy: 1.145564653643112
Energy: 1.1472167450589772
Energy: 1.265225601315593
Energy: 1.385679047607487
Energy: 1.2579728852102197
Energy: 1.1460180615947515
Energy: 1.1459748063643207
Energy: 1.1439584164183574
Energy: 1.3856387183577206
Energy: 1.2097764870186676
Energy: 1.1449150216900457
Energy: 1.146531270844399
Energy: 1.1621354518835019
Energy: 1.1463569368634439
Energy: 1.197410224206365
Energy: 1.1456334922680766
Energy: 1.1441885522191528
Energy: 1.1465966388372981
Energy: 1.161487501586784
Energy: 1.1485670631257496
Energy: 1.147040392355947
Energy: 1.1453602941200014
Energy: 1.1450953779893795
Energy: 1.1456871233881272
Energy: 1.2050083799138516
Energy: 1.145521294156568
Energy: 1.1451804975516764
Energy: 1.1454342832721494
Energy: 1.1466678608456817
Energy: 1.1469617928839921
Energy: 1.388646274451225
Energy: 1.2341538030379466
Energy: 1.1461464086434998
Energy: 1.144240119298905
Energy: 1.2261699823346612
Energy: 1.1464353492278851
Energy: 1.381480883944508
Energy: 1.147482816718982
Energy: 1.144028662660421
Energy: 1.1596934631427822
Energy: 1.146242469032408
Energy: 1.3688891799051859
Energy: 1.2072624158104004
Energy: 1.3698253217772538
Energy: 1.1280259373592632
Energy: 1.1599457279932723
Energy: 1.1456350964283288
Energy: 1.3856099727678393
Energy: 1.3851616667415112
Energy: 1.1464371536461322
Energy: 1.1280681420641436
Energy: 1.1445159997072165
Energy: 1.2557897569124084
Energy: 1.1462213121236076
Energy: 1.3877379214514098
Energy: 1.1459377828699406
Energy: 1.1478620813170957
Energy: 1.3852920064570176
Energy: 1.1469756363878982
Energy: 1.147228517542669
Energy: 1.3850867717898707
Energy: 1.261556055871753
Energy: 1.1465963032753383
Energy: 1.3845580004037812
Energy: 1.1465706301988472
Energy: 1.255646227332241
Energy: 1.1432631065316663
Energy: 1.1462414135657852
Energy: 1.3863773232606562
Energy: 1.1436624398709037
Energy: 1.1443360518329113
Energy: 1.1433144042235786
Energy: 1.1417517201804028
Energy: 1.3702112325627567
Energy: 1.143964268118997
Energy: 1.389668600711867
Energy: 1.368583019205277
Energy: 1.3725297283691058
Energy: 1.2298386137144923
Energy: 1.2417837452577551
Energy: 1.3808114267033034
Energy: 1.5956636058480453
Energy: 1.3739169704354253
Energy: 1.1458640448282624
Energy: 1.1441139895154686
Energy: 1.1465395945571832
Energy: 1.647431632727519
Energy: 1.3826084479238991
Energy: 1.23309209839036
Energy: 1.1461215774335822
Energy: 1.1461621150571146
Energy: 1.1462469323442013
Energy: 1.4534796303568944
Energy: 1.2096506236726423
Energy: 1.1483475625336463
Energy: 1.1457438730598415
Energy: 1.1457848004995785
Energy: 1.1460101346088574
Energy: 1.1471662316373756
Energy: 1.3852812145909945
Energy: 1.2594590296267356
Energy: 1.1444561033922103
Energy: 1.143783728739219
Energy: 1.1441224722491659
Energy: 1.1443007397699896
Energy: 1.2103136969722041
Energy: 1.1459536014748037
Energy: 1.1462677451246204
Energy: 1.1612464247315004
Energy: 1.2671620664501038
Energy: 1.1441872210618047
Energy: 1.144416118445513
Energy: 1.1449210572551145
Energy: 1.160670902291673
Energy: 1.1647001907662875
Energy: 1.1442130972976363
Energy: 1.1445440173030283
Energy: 1.145337709354026
Energy: 1.1458863398280912
Energy: 1.1476623746834063
Energy: 1.212329520853687
Energy: 1.1467752140277023
Energy: 1.1458406693849383
Energy: 1.1454246445769927
Energy: 1.1459540154872736
Energy: 1.2340824139207398
Energy: 1.3831210325551673
Energy: 1.1466399240869098
Energy: 1.1460227165626975
Energy: 1.1440899452512108
Energy: 1.1446258874672304
Energy: 1.2403128652443174
Energy: 1.405355646405137
Energy: 1.2401038089102592
Energy: 1.1442016598856122
Energy: 1.1275884427561322
Energy: 1.2408668454807619
Energy: 1.3805897385283192
Energy: 1.3856471124687555
Energy: 1.1469415938744578
Energy: 1.247860622606717

minimum gb energy = 1.1275884427561322 eV
minimum distance =  2.27233131350823 Angstroms
sigma value = 67


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

Energy: 1.625785421760242
Energy: 1.1130980180759507
Energy: 1.0974320389673018
Energy: 1.34303401053211
Energy: 1.0965699793758787
Energy: 1.1227486488724927
Energy: 1.0959517138789365
Energy: 1.2866216516695708
Energy: 1.2767092123986745
Energy: 1.3539968207546735
Energy: 1.0885200166312137
Energy: 1.0881789102936739
Energy: 1.1287630723160107
Energy: 1.1929477124896517
Energy: 1.0882614791987102
Energy: 1.3554541226197014
Energy: 1.0881931185319205
Energy: 1.1225945738269323
Energy: 1.4111631571049341
Energy: 1.1222649669670033
Energy: 1.286668946614985
Energy: 1.0917930302297936
Energy: 1.1958652789159432
Energy: 1.1244722301252452
Energy: 1.4080848860738624
Energy: 1.1235186364118972
Energy: 1.1891708181010034
Energy: 1.0885852128842706
Energy: 1.1885403003875468
Energy: 1.130356837681917
Energy: 1.3517261499801405
Energy: 1.3449837906640523
Energy: 1.263834377163739
Energy: 1.2516904224105347
Energy: 1.15327640169505
Energy: 1.3446712720189078
Energy: 1.1025666968537087
Energy: 1.1241143229091686
Energy: 1.3700420950047754
Energy: 1.093732159669553
Energy: 1.3098378717446848
Energy: 1.4070848044258373
Energy: 1.3798947730648976
Energy: 1.1235971420906499
Energy: 1.2385893009308018
Energy: 1.2395695322838525
Energy: 1.2383918943834678
Energy: 1.0956429569997448
Energy: 1.1500296192337076
Energy: 1.085648856626012
Energy: 1.240542585295323
Energy: 1.240739015721476
Energy: 1.251900773473044
Energy: 1.154766145747366
Energy: 1.170563269193318
Energy: 1.1638462376035799
Energy: 1.0868953137683024
Energy: 1.245000913822589
Energy: 1.087549520121262
Energy: 1.1618657392697362
Energy: 1.1198301900559997
Energy: 1.0863546410062053
Energy: 1.090138242143606
Energy: 1.0869144479440145
Energy: 1.287711387209989
Energy: 1.0857687689020052
Energy: 1.1667098977737875
Energy: 1.0900716020676264
Energy: 1.0865983415914955
Energy: 1.0932746480783426
Energy: 1.1640861489539072
Energy: 1.1251560466225945
Energy: 1.1245293541157102
Energy: 1.0890366396212368
Energy: 1.0865790973545928
Energy: 1.0891194646178584
Energy: 1.0898999822991284
Energy: 1.0893769361450625
Energy: 1.123789341418559
Energy: 1.085976667877276
Energy: 1.161338482989555
Energy: 1.0867154903059204
Energy: 1.1244003243638214
Energy: 1.0857778942757235
Energy: 1.1219958199195992
Energy: 1.0872235524460407
Energy: 1.087076823986621
Energy: 1.525827864450714
Energy: 1.1623713510928244
Energy: 1.0868477665755258
Energy: 1.1324739573431595
Energy: 1.16084841102003
Energy: 1.2453232656383986
Energy: 1.526028127729836
Energy: 1.2447583854196609
Energy: 1.131479028886824
Energy: 1.103744683439773
Energy: 1.1217729374799326
Energy: 1.2386018691418974
Energy: 1.238824533745036
Energy: 1.2383165344334846
Energy: 1.0948823297958674
Energy: 1.1164793632561918
Energy: 1.1223121885251126
Energy: 1.0925434815279373
Energy: 1.112144446659885
Energy: 1.2385051747278273
Energy: 1.1224994725585016
Energy: 1.1196964299913035
Energy: 1.1231128851132715
Energy: 1.5949524843446832
Energy: 1.5279491748231093
Energy: 1.0877420683201666
Energy: 1.1229549782415524
Energy: 1.1285183391648796
Energy: 1.1219363521271932
Energy: 1.1214618463403498
Energy: 1.111550263360637
Energy: 1.1223600698094427
Energy: 1.1219134712078658
Energy: 1.12359077600016
Energy: 1.1220383825477442
Energy: 1.1243718552856876
Energy: 1.5577493477120123
Energy: 1.1221003774607183
Energy: 1.1224420570519855
Energy: 1.1226555075663118
Energy: 1.1223753234125158
Energy: 1.0890204577728786
Energy: 1.3390403587791173
Energy: 1.1639273743736043
Energy: 1.1229581186132787
Energy: 1.0980376272223769
Energy: 1.1230613210069251
Energy: 1.2943510513987442
Energy: 1.3567359704455884
Energy: 1.0885825724198137
Energy: 1.1530924676269971

minimum gb energy = 1.085648856626012 eV
minimum distance =  2.27130076383554 Angstroms
sigma value = 33


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

Energy: 2.511057280307818
Energy: 1.0527088278894587
Energy: 1.2743291290736911
Energy: 1.4439948711990924
Energy: 1.2737756256512112
Energy: 1.3976546669556158
Energy: 1.0329919289975829
Energy: 1.1092107246899479
Energy: 1.44640557429848
Energy: 1.446094829095257
Energy: 1.1082733980879964
Energy: 1.1034485202759665
Energy: 1.1972054370412786
Energy: 1.0319978452422462
Energy: 1.0315102455118532
Energy: 1.358320074518589
Energy: 1.1084315965853233
Energy: 1.0310622066918973
Energy: 1.2026290203180252
Energy: 1.0302569259066048
Energy: 1.106119748296397
Energy: 1.4461300809870565
Energy: 1.0302550125270609
Energy: 1.2181151908237344
Energy: 1.1995503049190555
Energy: 1.197508809341005
Energy: 1.0324053130926156
Energy: 1.1968357895396122
Energy: 1.0319492205840772
Energy: 1.1966946485723005
Energy: 1.0333296465185255
Energy: 1.032420267730915
Energy: 1.2769659762188899
Energy: 1.4437929118303992
Energy: 1.2786233756897178
Energy: 1.032482301695147
Energy: 1.0324993920826946
Energy: 1.0312853639523023
Energy: 1.2145396462900828
Energy: 1.0298301575430684
Energy: 1.0317922994357274
Energy: 1.3589517291762356
Energy: 1.0295956999433198
Energy: 1.1101726822510767
Energy: 1.197680662617623
Energy: 1.197197595275654
Energy: 1.1972383124117847
Energy: 1.0292266472869505
Energy: 1.447133325826547
Energy: 1.0296447257071428
Energy: 1.0307940641531237
Energy: 1.1987560726349091
Energy: 1.0308234543657684
Energy: 1.1220247096162193
Energy: 1.4465349590925825
Energy: 1.1098850589536964
Energy: 1.0313995688114184
Energy: 1.1985104286372086
Energy: 1.031344645784566
Energy: 1.1089433849703023
Energy: 1.4441501976517765
Energy: 1.0315856244911679
Energy: 1.034769299902458
Energy: 1.1961205634231895
Energy: 1.110575034988212
Energy: 1.031490333810044
Energy: 1.4445450891183031
Energy: 1.4443761286563275
Energy: 1.030662305159736
Energy: 1.033063123392082
Energy: 1.0306013367992346
Energy: 1.4447080999688027
Energy: 1.032392216817973
Energy: 1.4440977080036015
Energy: 1.0310034679744327
Energy: 1.0345223172922078
Energy: 1.031271253659428
Energy: 1.0347562675358986
Energy: 1.5217600371560185
Energy: 1.0316579599832725
Energy: 1.0316776205837817
Energy: 1.0303191498155448
Energy: 1.0313477227479855
Energy: 1.030515512391037
Energy: 1.5076500497383152
Energy: 1.0319748024138886
Energy: 1.0315559781205133
Energy: 1.0374863996801738
Energy: 1.0310953250214125
Energy: 1.106020079320647
Energy: 1.512712053984737
Energy: 1.0293656996593479
Energy: 1.02945319525089
Energy: 1.03032619373026
Energy: 1.0287925649422642
Energy: 1.1097115934457393
Energy: 1.4411382182208936
Energy: 1.0303688994391955
Energy: 1.032425435414536
Energy: 1.0316101703000762
Energy: 1.0327086498168276
Energy: 1.0314125287278477
Energy: 1.0335245644850926
Energy: 1.1083374870374845
Energy: 1.0319061687885662
Energy: 1.0343236111286456
Energy: 1.0315667765531882
Energy: 1.4473218057463821
Energy: 1.238026522819188
Energy: 1.2659703700091007
Energy: 1.3676455686855733
Energy: 1.3566453064230082
Energy: 1.446912024265966
Energy: 1.265220653276192
Energy: 1.4457790179286156
Energy: 1.2676628893524073
Energy: 1.1069624210235751
Energy: 1.193646602707538
Energy: 1.1089736985547602
Energy: 1.4468131163283262
Energy: 1.358473016599041
Energy: 1.0320862830731217
Energy: 1.0315952998890772
Energy: 1.1971355019397845
Energy: 1.1098396017504792
Energy: 1.0308694774004576
Energy: 1.4456714869916558
Energy: 1.1109049336638623
Energy: 1.0301819747628154
Energy: 1.2016967348909535
Energy: 1.0299642640271698
Energy: 1.1972073450444887
Energy: 1.0324538244571055
Energy: 1.0317508831664581
Energy: 1.1978113994161466
Energy: 1.1986772777386854
Energy: 1.031407655833639
Energy: 1.0301206449884326
Energy: 1.5159241202165779
Energy: 1.2144379623404042
Energy: 1.0316028641492252
Energy: 1.0329248473921073
Energy: 1.0320892990103794
Energy: 1.6111221744010114
Energy: 1.0294472731100324
Energy: 1.0311137378542459
Energy: 1.1974633511430823
Energy: 1.0373905119285967
Energy: 1.0319741553247666
Energy: 1.216176191798366
Energy: 1.1978898264259847
Energy: 1.1956216632375922
Energy: 1.0293857564345485
Energy: 1.4902841810060579
Energy: 1.0349236369698347
Energy: 1.1969255299466455
Energy: 1.1964866790771804
Energy: 1.0310298307655965
Energy: 1.0300777349381527
Energy: 1.4026008303758875
Energy: 1.030968318605294
Energy: 1.0342760480824125
Energy: 1.1975532812613672
Energy: 1.0312928254570963
Energy: 1.1090241196250625
Energy: 1.4470812380261613
Energy: 1.1095261639539535
Energy: 1.031164038146107
Energy: 1.198240458392477
Energy: 1.1067705878934975
Energy: 1.0313735631013143
Energy: 1.4476425631422427
Energy: 1.2190495201042097
Energy: 1.1971671606518595
Energy: 1.0330474586582117
Energy: 1.0308119637362498
Energy: 1.444328210880771
Energy: 1.44524558271526
Energy: 1.2951235351976556
Energy: 1.0295228070922031
Energy: 1.0337084214661043
Energy: 1.0310533299939089
Energy: 1.03339111561928
Energy: 1.030508225311434
Energy: 1.4441631488964928
Energy: 1.1941479361336818
Energy: 1.0302611359572267
Energy: 1.0318354153872786
Energy: 1.0315751401006101
Energy: 1.033105460720384
Energy: 1.1073641724780146
Energy: 1.03168036201574
Energy: 1.0366317374475116
Energy: 1.0315226873331556
Energy: 1.106999303461222
Energy: 1.5081414588844047
Energy: 1.0316148575343547
Energy: 1.031897591977875
Energy: 1.0287372954291156
Energy: 1.0289534487693435
Energy: 1.0300710304415162
Energy: 1.5125215961707728
Energy: 1.0292963890286804
Energy: 1.0291676792832936
Energy: 1.0318122449326759
Energy: 1.0321660065069311
Energy: 1.1067165742773417
Energy: 1.27251107894176
Energy: 1.0333680923770583
Energy: 1.0323981315915258
Energy: 1.033074941703823
Energy: 1.030732887942319
Energy: 1.2691824582835054
Energy: 1.0387718616445347
Energy: 1.1080749822855258
Energy: 1.0324421702359932
Energy: 1.0323070981342632
Energy: 1.0299904050870794
Energy: 1.0322048618849191
Energy: 1.0504808122939049
Energy: 1.4451290017704046
Energy: 1.3583543994615908

minimum gb energy = 1.0287372954291156 eV
minimum distance =  2.21018334361348 Angstroms
sigma value = 41


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

Energy: 1.8995113794931067
Energy: 0.8432853669097968
Energy: 1.1631919603482173
Energy: 1.1669317648333513
Energy: 1.1631799283698157
Energy: 1.8441795264061733
Energy: 1.4733940882668146
Energy: 0.9094178889363744
Energy: 0.9059802055299397
Energy: 1.166523089407144
Energy: 0.9084197932481793
Energy: 0.9067339680752997
Energy: 1.1650357578233237
Energy: 0.9098962067726312
Energy: 0.9101235770503375
Energy: 0.8469702603109123
Energy: 0.9091197564792245
Energy: 0.9061175199843501
Energy: 1.1682351809324216
Energy: 0.9112188193877512
Energy: 0.9055498030217427
Energy: 1.171577273020847
Energy: 0.9092100074223183
Energy: 1.35831190381036
Energy: 1.1670978141117496
Energy: 1.1677638031934026
Energy: 0.9099674228335073
Energy: 1.1631579261373104
Energy: 0.9081254658684369
Energy: 1.1673953693778296
Energy: 1.1663144376420005
Energy: 1.1624882649683708
Energy: 1.1644211362881762
Energy: 1.157120161928662
Energy: 1.1633800462094688
Energy: 1.164442098913228
Energy: 1.4747269680572603
Energy: 1.1675001896903463
Energy: 0.9054535048443978
Energy: 1.1700542489792565
Energy: 0.9074240417368453
Energy: 1.2241172391943238
Energy: 1.4747620837321664
Energy: 0.9102127366032202
Energy: 1.1654497547237284
Energy: 1.1720855066991587
Energy: 0.908883354713674
Energy: 1.4745842037871018
Energy: 1.170431353330257
Energy: 0.9099739964132856
Energy: 0.9059697683336276
Energy: 0.8468532761357691
Energy: 0.9088503487114855
Energy: 0.9057832744178164
Energy: 1.1671685699243244
Energy: 0.9097576769685111
Energy: 0.9059966209264707
Energy: 1.1665268974899285
Energy: 0.9091093736919655
Energy: 0.9058824365028688
Energy: 1.1657180864946275
Energy: 0.9050314844333618
Energy: 0.9105758350216168
Energy: 1.1686623705540324
Energy: 0.9104139714152074
Energy: 1.1688396874684002
Energy: 1.1696209720518718
Energy: 1.1649531700590878
Energy: 0.9107639101006088
Energy: 1.1566805396732793
Energy: 0.9077784152065939
Energy: 1.1648304264777836
Energy: 1.1709195916872694
Energy: 1.1650771152565926
Energy: 0.9104558869118523
Energy: 1.1621565771181757
Energy: 0.9081328305848845
Energy: 1.1616468384397256
Energy: 1.4756735105659036
Energy: 0.9051269246353173
Energy: 1.1636671122132924
Energy: 1.1689855978780577
Energy: 0.9101068053812149
Energy: 1.474793958653644

minimum gb energy = 0.8432853669097968 eV
minimum distance =  2.34104179673147 Angstroms
sigma value = 11


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

Energy: 1.2252803644397097
Energy: 1.1308511877727025
Energy: 1.1387324988441436
Energy: 1.2873894112614601
Energy: 1.1383561883471356
Energy: 1.188401051684594
Energy: 1.1260350998144912
Energy: 1.138214622286386
Energy: 1.1297961116216648
Energy: 1.1311291251984525
Energy: 1.207565364534368
Energy: 1.1548804856659225
Energy: 1.1377821743825218
Energy: 1.1378230721978007
Energy: 1.2080231693683003
Energy: 1.1282745480690295
Energy: 1.2086063165553094
Energy: 1.1377959091209036
Energy: 1.138591234712878
Energy: 1.138775600935671
Energy: 1.2088520530363431
Energy: 1.1323787356275146
Energy: 1.1396609820027652
Energy: 1.1384317002657187
Energy: 1.138699671007035
Energy: 1.1380868843871392
Energy: 1.2087316982387166
Energy: 1.1301984287230882
Energy: 1.1386508630856924
Energy: 1.1381317651710352
Energy: 1.1368508092680367
Energy: 1.1385130743335339
Energy: 1.2063780310202847
Energy: 1.1303103914707628
Energy: 1.2069453780505481
Energy: 1.137253391796707
Energy: 1.1351574832448812
Energy: 1.1392574429186193
Energy: 1.1297901110949151
Energy: 1.1302260573052352
Energy: 1.1295858741673244
Energy: 1.2037445472640342
Energy: 1.1343793947875103
Energy: 1.138307522431953
Energy: 1.1385297915361428
Energy: 1.1377123591709408
Energy: 1.1385978708734068
Energy: 1.1261886221023254
Energy: 1.139244188452525
Energy: 1.137784535412787
Energy: 1.2080819598920312
Energy: 1.1269529306556199
Energy: 1.1382044448860797
Energy: 1.1377032875319089
Energy: 1.138005002856069
Energy: 1.1385749925903241
Energy: 1.206571450297952
Energy: 1.1272903280840678
Energy: 1.1385190596229477
Energy: 1.1383317217321727
Energy: 1.1422087936745708
Energy: 1.138691068592452
Energy: 1.2190511219757376
Energy: 1.1397183587276427
Energy: 1.2206599241753608
Energy: 1.1397456836153816
Energy: 1.138400922170503
Energy: 1.2065869548455839
Energy: 1.1386662658092823
Energy: 1.140596511619072
Energy: 1.206790161086003
Energy: 1.1395101053978804
Energy: 1.1413442229890407
Energy: 1.1384339035812951
Energy: 1.138943569079717
Energy: 1.1421683483020155
Energy: 1.1386474202974852
Energy: 1.138082704814511
Energy: 1.1262434060347226
Energy: 1.1387155137897145
Energy: 1.1385107370202239
Energy: 1.138172490448752
Energy: 1.1388386228722494
Energy: 1.2091825511936407
Energy: 1.1383780604431808
Energy: 1.2077658676072904
Energy: 1.1383812146947017
Energy: 1.1382318039539592
Energy: 1.1382048320847817
Energy: 1.1299767342814069
Energy: 1.1378669172934734
Energy: 1.138632958257079
Energy: 1.3763388066805742
Energy: 1.1243028514645748
Energy: 1.138955046279815
Energy: 1.139634249344269
Energy: 1.1311502894970271
Energy: 1.2075196394282397
Energy: 1.1382679005000702
Energy: 1.1261782011555312
Energy: 1.1383166627542565
Energy: 1.1295897319096968
Energy: 1.1295890124476553
Energy: 1.3890525912451963
Energy: 1.1378194214009472
Energy: 1.1376206940129974
Energy: 1.1379198379624196
Energy: 1.1277031479074566
Energy: 1.131641349411649
Energy: 1.1392666263791984
Energy: 1.139701810662685
Energy: 1.165715522527473
Energy: 1.13910163723269
Energy: 1.1294042829234383
Energy: 1.1313095699518012
Energy: 1.1382133330916155
Energy: 1.1382801643567824
Energy: 1.1395258752748596
Energy: 1.1385631303068573
Energy: 1.207041044876557
Energy: 1.1302447732064058
Energy: 1.2195192969502062
Energy: 1.1375766458859105
Energy: 1.1373075636695709
Energy: 1.1398878086749424
Energy: 1.206172929217363
Energy: 1.130287912419607
Energy: 1.1299525614703794
Energy: 1.1382141783342659
Energy: 1.1356258263953927
Energy: 1.138365913246178
Energy: 1.1350549766589602
Energy: 1.137533156495035
Energy: 1.138443145544656
Energy: 1.2053706948533884
Energy: 1.1265683109943911
Energy: 1.12938967169554
Energy: 1.1409409531053254
Energy: 1.1267871615242135
Energy: 1.2085394004893928
Energy: 1.1373126289972388
Energy: 1.1407270006000516
Energy: 1.1381928145597124
Energy: 1.2027545948567566
Energy: 1.1273601525612134
Energy: 1.138629977238447
Energy: 1.1384057783376298
Energy: 1.140416644831117
Energy: 1.1385432151197297
Energy: 1.2044081643133018
Energy: 1.1400824530351363
Energy: 1.2222325976021338
Energy: 1.1390484262081908
Energy: 1.1398261794973863
Energy: 1.1406000221609593
Energy: 1.1394327628076404
Energy: 1.1381601050026549
Energy: 1.1381591878625743
Energy: 1.1386977650087657
Energy: 1.1403665772143377
Energy: 1.2101646668727257
Energy: 1.14066195520584
Energy: 1.1389356056804965
Energy: 1.1412859709677317
Energy: 1.2193389467626996
Energy: 1.141496702450424
Energy: 1.139474931467756
Energy: 1.138461843581731
Energy: 1.1409974135355025
Energy: 1.1385312510817658
Energy: 1.2065853405743823
Energy: 1.1261384741661207
Energy: 1.1382761477780123
Energy: 1.138433035996845
Energy: 1.1401954661603095
Energy: 1.1386278459932175
Energy: 1.2078199236484335
Energy: 1.138157191696554
Energy: 1.207492779455605
Energy: 1.1376252375714968
Energy: 1.1250230562772758
Energy: 1.1388333484443904
Energy: 1.1384469986053058
Energy: 1.1378112804823768
Energy: 1.138724176307283
Energy: 1.1269087946014544

minimum gb energy = 1.1243028514645748 eV
minimum distance =  2.25812489205869 Angstroms
sigma value = 57


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

Energy: 2.339255786356194
Energy: 1.2458519032318256
Energy: 1.276857394726123
Energy: 1.2750696730482973
Energy: 1.2768185421051172
Energy: 1.2454640047263617
Energy: 1.2635692996418864
Energy: 1.2630503179152537
Energy: 1.2629004336359761
Energy: 1.2066750103898134
Energy: 1.2650272089075305
Energy: 1.2068445309492652
Energy: 1.2065269247041708
Energy: 1.2079636756596124
Energy: 1.2629626136583114
Energy: 1.1903466282925665
Energy: 1.265327937631758
Energy: 1.207828209970242
Energy: 1.2071650654787482
Energy: 1.2080024312321629
Energy: 1.2636537893959383
Energy: 1.206560786340195
Energy: 1.2075345251985827
Energy: 1.2082531119981341
Energy: 1.2083016619659606
Energy: 1.2077783916040226
Energy: 1.262365626292995
Energy: 1.2066469162291413
Energy: 1.263202237942935
Energy: 1.208283740961089
Energy: 1.2064185329119705
Energy: 1.263544783619497
Energy: 1.2630968009151275
Energy: 1.2067216997448953
Energy: 1.262322296254159
Energy: 1.2085070571989491
Energy: 1.2703941112880097
Energy: 1.2637114865608208
Energy: 1.2073449037385564
Energy: 1.2770936859172926
Energy: 1.2073987134612731
Energy: 1.2625118967388467
Energy: 1.270259334548852
Energy: 1.262383432041954
Energy: 1.2070867316758098
Energy: 1.2859203539545543
Energy: 1.2074274357497807
Energy: 1.2628531872684745
Energy: 1.2061891908326514
Energy: 1.206996633276416
Energy: 1.191493700308654
Energy: 1.189701936915987
Energy: 1.2626758273585126
Energy: 1.2086265632714837
Energy: 1.2775539903705084
Energy: 1.2070612105428524
Energy: 1.1909251683798847
Energy: 1.189872922225754
Energy: 1.2625876621689138
Energy: 1.2072554568584943
Energy: 1.1897713345905232
Energy: 1.2628040476587519
Energy: 1.2072914954220642
Energy: 1.206595545238717
Energy: 1.4139344895255683
Energy: 1.2629196769355115
Energy: 1.189613524828914
Energy: 1.2642331328672503
Energy: 1.2077475917597367
Energy: 1.20875179513901
Energy: 1.2073774020589498
Energy: 1.2624295953844165
Energy: 1.2086481383932437
Energy: 1.2072625919933189
Energy: 1.2081168597092313
Energy: 1.2088122563986121
Energy: 1.207584311874698
Energy: 1.2071752997353133
Energy: 1.2065265097811306
Energy: 1.2632965986716225
Energy: 1.2076873307237879
Energy: 1.2069049403656664
Energy: 1.2067440961357405
Energy: 1.2635772891200254
Energy: 1.2069384326063082
Energy: 1.2627205734825582
Energy: 1.2633165319878308
Energy: 1.2066711253410014
Energy: 1.262981727188699
Energy: 1.2082470862820607
Energy: 1.2750519694895188
Energy: 1.2754619714705557
Energy: 1.209415404812603
Energy: 1.2036389728320889
Energy: 1.2072207186796535
Energy: 1.2758281160439238
Energy: 1.2644380850899524
Energy: 1.2626205067065737
Energy: 1.262926044033242
Energy: 1.2061149346678122
Energy: 1.2649490261991356
Energy: 1.2082304159841781

minimum gb energy = 1.189613524828914 eV
minimum distance =  2.26746133182755 Angstroms
sigma value = 9


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

Energy: 2.8011632544605924
Energy: 1.3366300042990986
Energy: 1.3656632624354137
Energy: 1.3660948363818963
Energy: 1.3664278213227818
Energy: 1.3358893519272974
Energy: 1.3248021684293851
Energy: 1.3909809898398153
Energy: 1.3849019743110724
Energy: 1.3829117520833945
Energy: 1.4986920162831217
Energy: 1.3815589047151815
Energy: 1.3473570456524224
Energy: 1.3471831756611656
Energy: 1.4721742038959973
Energy: 1.316696312339933
Energy: 1.4988788899896022
Energy: 1.347361426277093
Energy: 1.3511415385413286
Energy: 1.3468129459987832
Energy: 1.4094474001180939
Energy: 1.3476587826712598
Energy: 1.3467993992001224
Energy: 1.3466066761559032
Energy: 1.3463997608560703
Energy: 1.352574898890865
Energy: 1.3817494688122454
Energy: 1.315948818217258
Energy: 1.380609202655137
Energy: 1.3478416086007003
Energy: 1.351027531799173
Energy: 1.3813489006949509
Energy: 1.2976875969031787
Energy: 1.3156078281181545
Energy: 1.4613427636391607
Energy: 1.3505924469988324
Energy: 1.3783974855720578
Energy: 1.3762448387583295
Energy: 1.3771742461130165
Energy: 1.3401441445577507
Energy: 1.3771504797010932
Energy: 1.3997612410687534
Energy: 1.3790039449303997
Energy: 1.3513355649462797
Energy: 1.275612817405365
Energy: 1.297149473071493
Energy: 1.255713735304754
Energy: 1.4058587443103554
Energy: 1.3553413995657857
Energy: 1.3570990335765596
Energy: 1.2730240733804545
Energy: 1.3547860141121846
Energy: 1.4492122673982646
Energy: 1.3565615853226776
Energy: 1.355336952230698
Energy: 1.3029391345208012
Energy: 1.2562226359683073
Energy: 1.355512519549249
Energy: 1.258292902753915
Energy: 1.3567077291266325
Energy: 1.3585545536496375
Energy: 1.2851955617793283
Energy: 1.300423337069495
Energy: 1.2975618799452986
Energy: 1.3649465257278859
Energy: 1.2849550209448637
Energy: 1.3574255903959929
Energy: 1.2840869782642013
Energy: 1.270233477529804
Energy: 1.3179941579766057
Energy: 1.28412869279243
Energy: 1.4495577545788059
Energy: 1.3271536897882195
Energy: 1.3281236011987922
Energy: 1.2553136013011714
Energy: 1.328212993962625
Energy: 1.5573614778244418
Energy: 1.3286397345569627
Energy: 1.3279495567263824
Energy: 1.329032347678486
Energy: 1.3603150169622837
Energy: 1.3208386389532396
Energy: 1.3184908815510794
Energy: 1.3295545448177128
Energy: 1.353696084920032
Energy: 1.300626967893882
Energy: 1.3802737892307155
Energy: 1.3097559259600773
Energy: 1.379846787417902
Energy: 1.3003775665793178
Energy: 1.356691397730116
Energy: 1.414039202375248
Energy: 1.5106562037279732
Energy: 1.5111755739462287
Energy: 1.5122423233323636
Energy: 1.3541378111338804
Energy: 1.3602246787837864
Energy: 1.292975412458699
Energy: 1.309731103976623
Energy: 1.3094340184974012
Energy: 1.311411339558835
Energy: 1.3455597533521517
Energy: 1.38328653595022
Energy: 1.4962033068631326
Energy: 1.2937812483241482
Energy: 1.293195499698836
Energy: 1.2944938271429889
Energy: 1.445878193880876
Energy: 1.3844691658918133
Energy: 1.346187988045394
Energy: 1.500425630571863
Energy: 1.3671614738829723
Energy: 1.3997086639296783
Energy: 1.3601527754557314
Energy: 1.3778718803871435
Energy: 1.3796393409975944
Energy: 1.354490622468386
Energy: 1.3547876487133508
Energy: 1.3470894080181517
Energy: 1.3789363255831504
Energy: 1.3532622607278515
Energy: 1.399617925201406
Energy: 1.3668810236064604
Energy: 1.3646782835320657
Energy: 1.3764694178102992
Energy: 1.3485873497192562

minimum gb energy = 1.2553136013011714 eV
minimum distance =  2.26033530383195 Angstroms
sigma value = 27


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

Energy: 1.3463725480067825
Energy: 1.2782565259902383
Energy: 1.3145959546558095
Energy: 1.3157798037144457
Energy: 1.314674542792498
Energy: 1.2784686512192371
Energy: 1.3120497414645937
Energy: 1.2707819766580215
Energy: 1.3123176925283906
Energy: 1.3264108997108208
Energy: 1.2693427507435624
Energy: 1.2980313361753513
Energy: 1.2700283816344728
Energy: 1.2673227947298797
Energy: 1.6234376274810132
Energy: 1.4819043565505883
Energy: 1.266743257016259
Energy: 1.2672334477205538
Energy: 1.266534833793717
Energy: 1.267251662239393
Energy: 1.3696957843807949
Energy: 1.2954910979746592
Energy: 1.4253899278722741
Energy: 1.268163590847196
Energy: 1.2645207385166803
Energy: 1.3762065042510212
Energy: 1.2795379536982099
Energy: 1.3137328771649033
Energy: 1.3775024468479706
Energy: 1.526775735492926
Energy: 1.2714250089923993
Energy: 1.4861150355155424
Energy: 1.2791877169926793
Energy: 1.2961780972107786
Energy: 1.3611990832010912
Energy: 1.2697713288671486
Energy: 1.284298812998817
Energy: 1.3767567100941729
Energy: 1.3627160855182043
Energy: 1.2974513506358276
Energy: 1.3619043033914424
Energy: 1.270363231281601
Energy: 1.284114414192005
Energy: 1.3782073932558798
Energy: 1.2971462900866098
Energy: 1.2955947980751181
Energy: 1.3765665587072247
Energy: 1.2666730054107995
Energy: 1.2664412964055922
Energy: 1.2674310068373411
Energy: 1.266167190393737
Energy: 1.3238529652624231
Energy: 1.2693997671709287
Energy: 1.2682073886393377
Energy: 1.2665296734631433
Energy: 1.3686954624056515
Energy: 1.3374560846922172
Energy: 1.323806996476565
Energy: 1.2675576182207904
Energy: 1.3770580811939241
Energy: 1.3209453926150487
Energy: 1.4678819445751983
Energy: 1.3146942464587628
Energy: 1.3160574897058084
Energy: 1.3147498490528242
Energy: 1.2675977720737532
Energy: 1.3208604999586844
Energy: 1.2701359543749935
Energy: 1.3151395196493
Energy: 1.3139367215702993
Energy: 1.2803383134070132
Energy: 1.3120210000183727
Energy: 1.3136851959641054
Energy: 1.2689574937160712
Energy: 1.2655967809656488
Energy: 1.2639527631890513
Energy: 1.2802775538205373
Energy: 1.3165389431120804
Energy: 1.3137315883078775
Energy: 1.2965640882097886
Energy: 1.2669437078745156
Energy: 1.3541056432948126
Energy: 1.2693042836354609
Energy: 1.2967357685330492
Energy: 1.2646540453682307
Energy: 1.4678312218686442
Energy: 1.2667505433981798
Energy: 1.2671643582937158
Energy: 1.3532729102771497
Energy: 1.6241297547654396
Energy: 1.2645697931354825
Energy: 1.2696602510152375
Energy: 1.2718684482060587
Energy: 1.2694825783026058
Energy: 1.2661415108552097
Energy: 1.2813738142871696
Energy: 1.3131634767907217
Energy: 1.3782662146218487
Energy: 1.5268259842207559
Energy: 1.265349791282612
Energy: 1.5263670939758
Energy: 1.2803674410830934
Energy: 1.2963724518528912
Energy: 1.3636422024889225
Energy: 1.2692478855196725
Energy: 1.2672430653859044
Energy: 1.3634835044765936
Energy: 1.3608703827928972
Energy: 1.2955535798347764
Energy: 1.362749612125363
Energy: 1.270389761335723
Energy: 1.266836474479427
Energy: 1.3632197675431328
Energy: 1.360815252557195
Energy: 1.3128090620180235
Energy: 1.378174674913509
Energy: 1.5273486859488938
Energy: 1.266509024504164
Energy: 1.5271157364120316
Energy: 1.2802477822470844
Energy: 1.323827352192269
Energy: 1.3754281621949027
Energy: 1.2706492964146816
Energy: 1.2695114992036176
Energy: 1.267030000749398
Energy: 1.2987116128280165
Energy: 1.2641339465599757
Energy: 1.4675940750749759
Energy: 1.2667257224623172
Energy: 1.2670716424199038
Energy: 1.2666430043798758
Energy: 1.4678381864206986
Energy: 1.314352313114723
Energy: 1.2796351770934091
Energy: 1.2675524703273302
Energy: 1.3213505022180538
Energy: 1.269650972211225
Energy: 1.3149038109266822
Energy: 1.3140456746942235
Energy: 1.3936499699180072
Energy: 1.4652901456531422
Energy: 1.3213098484552348
Energy: 1.28004099255527
Energy: 1.3164718454798205
Energy: 1.3536548905401582
Energy: 1.338056528968583
Energy: 1.2795574001237537
Energy: 1.3137899798475263
Energy: 1.280911291173322
Energy: 1.2655626330920025

minimum gb energy = 1.2639527631890513 eV
minimum distance =  2.28497459691135 Angstroms
sigma value = 19


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

Energy: 1.372777993156834
Energy: 1.2611456029907457
Energy: 1.2935692592244115
Energy: 1.294718668305462
Energy: 1.2936514740828051
Energy: 1.2616969254588
Energy: 1.2803064889108782
Energy: 1.245215628962283
Energy: 1.274525918779345
Energy: 1.2935819094567154
Energy: 1.244733677656031
Energy: 1.253887678817974
Energy: 1.2408388454615618
Energy: 1.2412857160356372
Energy: 1.2264750678060123
Energy: 1.2264842165310461
Energy: 1.2415079554398836
Energy: 1.241211154203133
Energy: 1.2408150166587426
Energy: 1.2414891498472427
Energy: 1.2417105004142979
Energy: 1.253556913007519
Energy: 1.2563212601050495
Energy: 1.2408867398772805
Energy: 1.2264804600640633
Energy: 1.244156932690135
Energy: 1.2444935575344755
Energy: 1.2572215484616427
Energy: 1.3159551319432854
Energy: 1.3159540107773335
Energy: 1.2433912365594224
Energy: 1.255634596789713
Energy: 1.2556354007760806
Energy: 1.2570957522509096
Energy: 1.3162296901010395
Energy: 1.244920505975398
Energy: 1.256184603548049
Energy: 1.397885989826472
Energy: 1.4140761508232684
Energy: 1.3757372940177608
Energy: 1.396232656979809
Energy: 1.3883686650758367
Energy: 1.2564303686791256
Energy: 1.3762089605507957
Energy: 1.2440237761189123
Energy: 1.245431854966855
Energy: 1.2564384604670882
Energy: 1.256127349868941
Energy: 1.249802311027103
Energy: 1.3156400006337376
Energy: 1.3165483998400584
Energy: 1.241422150635802
Energy: 1.3145097686152156
Energy: 1.317429286970958
Energy: 1.2530457037762237
Energy: 1.2566228230729497
Energy: 1.240944176220286
Energy: 1.2414618815655103
Energy: 1.3169238068590874
Energy: 1.2537753822474194
Energy: 1.2378986153160467
Energy: 1.2459377928106776
Energy: 1.2445277658351206
Energy: 1.2440632706612436
Energy: 1.2417253063343576
Energy: 1.2448433798280008
Energy: 1.3041594862067005
Energy: 1.2449081177647539
Energy: 1.3508218760504576
Energy: 1.2412345506065177
Energy: 1.2443744588867074
Energy: 1.3047428877469907
Energy: 1.2941754686395597
Energy: 1.2936241758150964
Energy: 1.2395577518577796
Energy: 1.3011580538620258
Energy: 1.25350450509405
Energy: 1.2935521470966203
Energy: 1.293124414990454
Energy: 1.2536719627221602
Energy: 1.2737791734093826
Energy: 1.3008254430704884
Energy: 1.2439591198226547
Energy: 1.2935674318406738
Energy: 1.25008737509728
Energy: 1.2536321485337398
Energy: 1.2939079601965642
Energy: 1.2932377540240145
Energy: 1.2409553047709496
Energy: 1.2516319429422909
Energy: 1.3258170888031828
Energy: 1.34406814896439
Energy: 1.2536119989835703
Energy: 1.293287729951345
Energy: 1.2535185200683314
Energy: 1.2803950746580472
Energy: 1.2407524889176909
Energy: 1.241234134428992
Energy: 1.2290872373911432
Energy: 1.2517933763684441
Energy: 1.3223747372695618
Energy: 1.2412773175202902
Energy: 1.243734437140491
Energy: 1.2442681415212642
Energy: 1.243802729081494
Energy: 1.2756969429611165
Energy: 1.2561335846421764
Energy: 1.244125998483614
Energy: 1.227247981564688
Energy: 1.538613681361403
Energy: 1.2562047435387997
Energy: 1.2561578498469426
Energy: 1.315850494413045
Energy: 1.538443651656154
Energy: 1.2433800787046725
Energy: 1.2562743677083772
Energy: 1.315775297378891
Energy: 1.244389617884243
Energy: 1.31685248989595
Energy: 1.2442698241673378
Energy: 1.2558079879780237
Energy: 1.3639726209517227
Energy: 1.4144195559834047
Energy: 1.2544843813109474
Energy: 1.4135390082239083
Energy: 1.2568165444344062
Energy: 1.2539974445475557
Energy: 1.4138569974132604
Energy: 1.2560933612617522
Energy: 1.256855532948585
Energy: 1.396421676534675
Energy: 1.37651616992105
Energy: 1.243888211042684
Energy: 1.315664670275485
Energy: 1.2557484776728707
Energy: 1.2415189972274399
Energy: 1.3168777735670316
Energy: 1.3169675088556319
Energy: 1.256033205982727
Energy: 1.2564445670195377
Energy: 1.5386949868070898
Energy: 1.24155035995567
Energy: 1.3638212927601276
Energy: 1.2575451410045482
Energy: 1.3044590457294813
Energy: 1.24469142426762
Energy: 1.2445705479512976
Energy: 1.2440295109442017
Energy: 1.24444110153662
Energy: 1.2567829934072814
Energy: 1.2379715085277552
Energy: 1.2443668960509047
Energy: 1.3165416771080496
Energy: 1.241397777211223
Energy: 1.3895688090514395
Energy: 1.2440517804070867
Energy: 1.2929534180226625
Energy: 1.2940621710404538
Energy: 1.3643101212502575
Energy: 1.3008203037737853
Energy: 1.2412707156404732
Energy: 1.2940699042124424
Energy: 1.293045820915862
Energy: 1.2930418911432098
Energy: 1.2382975562207494
Energy: 1.300919573080426
Energy: 1.2537554133444182
Energy: 1.293539986951058
Energy: 1.2501795281514216
Energy: 1.2410444745508318
Energy: 1.2538195958280542
Energy: 1.2933808596833059
Energy: 1.2533630745342712
Energy: 1.2421981280807524

minimum gb energy = 1.2264750678060123 eV
minimum distance =  2.26384340774837 Angstroms
sigma value = 101


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

Energy: 1.2607917492264862
Energy: 1.1943732877963453
Energy: 1.2457362773610448
Energy: 1.2657882913066032
Energy: 1.2460625102656078
Energy: 1.6196522691415627
Energy: 1.2477948819665046
Energy: 1.2045753331314233
Energy: 1.242218050313166
Energy: 1.2630258791590094
Energy: 1.2161510304262844
Energy: 1.1987091497657758
Energy: 1.200642689036116
Energy: 1.2038124184514416
Energy: 1.1937777837888763
Energy: 1.1955207118616034
Energy: 1.203758344607334
Energy: 1.2035986407989354
Energy: 1.216117177021458
Energy: 1.2155197537410116
Energy: 1.2044061829010322
Energy: 1.221153209119448
Energy: 1.2033343215316878
Energy: 1.2172705337309648
Energy: 1.1941664649979045
Energy: 1.2006703687100364
Energy: 1.2005814046309722
Energy: 1.1993558651430534
Energy: 1.1993489094812233
Energy: 1.4414362463025618
Energy: 1.2151065747634686
Energy: 1.2040073246323917
Energy: 1.1995584848270189
Energy: 1.197933472685687
Energy: 1.197401313798422
Energy: 1.2167504341471502
Energy: 1.2035504299757551
Energy: 1.3009225031602436
Energy: 1.311692222585583
Energy: 1.4073641693759975
Energy: 1.302489540655787
Energy: 1.3012639274938882
Energy: 1.2042519255171635
Energy: 1.3025105970154556
Energy: 1.1981291413273298
Energy: 1.1993722495565715
Energy: 1.1977392528017643
Energy: 1.204351529999923
Energy: 1.216098967755529
Energy: 1.360183452476928
Energy: 1.309022420533515
Energy: 1.1980626221862756
Energy: 1.3092473272454517
Energy: 1.300032528273058
Energy: 1.2158186702094955
Energy: 1.2035421904375923
Energy: 1.1983667641559077
Energy: 1.1979913995787512
Energy: 1.309594979152343
Energy: 1.2047637561520572
Energy: 1.1999578126297346
Energy: 1.1980818115516667
Energy: 1.1983040261473412
Energy: 1.2012158969296374
Energy: 1.1997253696293317
Energy: 1.200391490680166
Energy: 1.2143561820933453
Energy: 1.317050052924479
Energy: 1.3072712337533678
Energy: 1.1972473603036322
Energy: 1.2003547569786646
Energy: 1.2007118700647006
Energy: 1.2153627411076358
Energy: 1.2158550756727327
Energy: 1.201944850178268
Energy: 1.1988463384940258
Energy: 1.2049501107669836
Energy: 1.2158384831910578
Energy: 1.1995904238955122
Energy: 1.2162849356601344
Energy: 1.1983373526905021
Energy: 1.212488019256637
Energy: 1.2158978859280185
Energy: 1.3332695531515462
Energy: 1.2602164012403847
Energy: 1.1984965969538004
Energy: 1.262555791166963
Energy: 1.2638607917989342
Energy: 1.2457245499222385
Energy: 1.202077221226159
Energy: 1.268340404876346
Energy: 1.2728762542605274
Energy: 1.2638810602834452
Energy: 1.244980714542203
Energy: 1.198324375842629
Energy: 1.2712114288334952
Energy: 1.2443153601055699
Energy: 1.24589757236748
Energy: 1.1941586941860136
Energy: 1.1948034198131752
Energy: 1.2902140951403092
Energy: 1.2456917339853333
Energy: 1.2621283126394343
Energy: 1.1987592631524722
Energy: 1.2042268181771758
Energy: 1.291513563482512
Energy: 1.216139906413192
Energy: 1.2220910420511233
Energy: 1.1947764077799259
Energy: 1.1998793624149726
Energy: 1.204112156701193
Energy: 1.2006618123305959
Energy: 1.2038449619633684
Energy: 1.1939705356888277
Energy: 1.2351364398903384
Energy: 1.2037060856565511
Energy: 1.2165889880974345
Energy: 1.2154537481847099
Energy: 1.2159725128616599
Energy: 1.2167700781873096
Energy: 1.1974949486604947
Energy: 1.200526245617258
Energy: 1.1977332481381564
Energy: 1.1951459745372432
Energy: 1.2013161268770594
Energy: 1.2011608939366787
Energy: 1.1980199657759099
Energy: 1.1987854048534374
Energy: 1.2040970144779706
Energy: 1.2152937793358638
Energy: 1.2005785123157204
Energy: 1.1986107595173123
Energy: 1.2209236347262657
Energy: 1.4074559517842624
Energy: 1.2041864587083646
Energy: 1.2050229493841722
Energy: 1.3090190892173723
Energy: 1.4079963821474453
Energy: 1.1977489603689824
Energy: 1.1977449258532928
Energy: 1.3011387244246482
Energy: 1.20403084398669
Energy: 1.3000611737602359
Energy: 1.1997256165445342
Energy: 1.1974705470325897
Energy: 1.3081573094211498
Energy: 1.3006539113244375
Energy: 1.2039815076614746
Energy: 1.3003611135736444
Energy: 1.1977426311853587
Energy: 1.1980587551001989
Energy: 1.3110409342477496
Energy: 1.2038087219987785
Energy: 1.2053047810820225
Energy: 1.2047964551184802
Energy: 1.3107965109720332
Energy: 1.1982915490478143
Energy: 1.1990923456700526
Energy: 1.198195679122421
Energy: 1.2146527663137305
Energy: 1.201068292821727
Energy: 1.1976590019757063
Energy: 1.1976602530640246
Energy: 1.2006167727827681
Energy: 1.1982745924151301
Energy: 1.2005698496664154
Energy: 1.198322468874703
Energy: 1.1976119634312463
Energy: 1.212827812490901
Energy: 1.2008659179137067
Energy: 1.2161521753374198
Energy: 1.2155799497889093
Energy: 1.2165409344097027
Energy: 1.2000690533686003
Energy: 1.1984297699790698
Energy: 1.2041783417414111
Energy: 1.2654616305744553
Energy: 1.2014020948724848
Energy: 1.356496014366254
Energy: 1.204714407641616
Energy: 1.2626651920597471
Energy: 1.2635234465758756
Energy: 1.200839971179991
Energy: 1.261117866646026
Energy: 1.1982477162638363
Energy: 1.2632703853647347
Energy: 1.2444192790598385
Energy: 1.337679083266184
Energy: 1.2141664012706845
Energy: 1.2609096259775368
Energy: 1.197864556393057
Energy: 1.245156566893853
Energy: 1.2289562432048298
Energy: 1.2001541701218115
Energy: 1.2921483079273086
Energy: 1.2446640743880941
Energy: 1.2901706884910153
Energy: 1.2197993490017194

minimum gb energy = 1.1937777837888763 eV
minimum distance =  2.26157403912783 Angstroms
sigma value = 33


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

Energy: 0.01491805566546702
Energy: 0.015496062688689197
Energy: 0.09444464312253208
Energy: 0.09419857436820177
Energy: 0.09603595223317352
Energy: 0.015571994619320064
Energy: 0.015129230137794568
Energy: 0.10903801650886649
Energy: 0.1093313629731084
Energy: 0.10998831830340286
Energy: 0.10898384628094325
Energy: 0.10938814031691733
Energy: 0.9473225489242911
Energy: 0.09481042493917119
Energy: 0.015548238172703541
Energy: 0.016934527986771832
Energy: 0.09520309829027454
Energy: 0.09438015374340243
Energy: 0.10911955009271217
Energy: 0.10903801650886649
Energy: 0.10933136297381517
Energy: 0.10998831830340286
Energy: 0.10898384628094325
Energy: 0.10938814031691733

minimum gb energy = 0.01491805566546702 eV
minimum distance =  2.45280376967012 Angstroms
sigma value = 1