Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=2.863645762205124
cohesive_energy=4.2905471300555265
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, 5.3413364624292e-19, 5.56642625773986e-19, 5.76580111807482e-19, 5.942585287870379e-19, 6.09914998854486e-19, 6.2374338538253995e-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: 0.013185823318682448
Energy: 0.22620178263094348
Energy: 0.2253339189323214
Energy: 0.22540291542663557
Energy: 0.22674346109249227
Energy: 0.013251782925326711
Energy: 0.22620178263094348
Energy: 1.1064968333178273
Energy: 0.2254796631101241
Energy: 0.2253517962342983
Energy: 0.22542788495180466
Energy: 0.22541848640804904
Energy: 0.2253339189318494
Energy: 0.2254796631105961
Energy: 1.107454838683493
Energy: 0.013444815853646198
Energy: 0.22542842763493787
Energy: 0.2255315726963788
Energy: 0.2254029154271353
Energy: 0.2253517962342983
Energy: 0.013444815853646198
Energy: 0.01333622801222123
Energy: 0.22582659755149828
Energy: 0.22540049333806386
Energy: 0.22674346109249227
Energy: 0.2254278849513049
Energy: 0.22542842763493787
Energy: 0.22582659755149828
Energy: 1.1062931842455972
Energy: 0.22537890443069009
Energy: 0.013251782925326711
Energy: 0.22541848640804904
Energy: 0.2255315726963788
Energy: 0.22540049333806386
Energy: 0.22537890443069009
Energy: 0.01335099007752786

minimum gb energy = 0.013185823318682448 eV
minimum distance =  2.4789067233027 Angstroms
sigma value = 1


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

Energy: 1.9301641458090948
Energy: 1.235852012778654
Energy: 1.237021403431272
Energy: 1.2558712877631406
Energy: 1.2361082364486586
Energy: 1.2322213265876554
Energy: 1.2067378694311952
Energy: 1.2606381476117998
Energy: 1.2311442643089991
Energy: 1.2031408059380235
Energy: 1.2314897728956842
Energy: 1.2333131702976134
Energy: 1.2036308928730075
Energy: 1.2324239399050787
Energy: 1.2610461774219228
Energy: 1.2466543017322216
Energy: 1.2353800600142986
Energy: 1.2355612925373571
Energy: 1.2471512398463107
Energy: 1.2306197637544374
Energy: 1.2520973138159437
Energy: 1.3088573208121594
Energy: 1.2301053399207322
Energy: 1.2324438659748855
Energy: 1.2714161271960795
Energy: 1.230446243566604
Energy: 1.2317488715449136
Energy: 1.272712239736974
Energy: 1.231467628772378
Energy: 1.2312132693619942
Energy: 1.2495690063426084
Energy: 1.2494322625367067
Energy: 1.2508598817695036
Energy: 1.2304087682064717
Energy: 1.2502659294851972
Energy: 1.2495996034673609
Energy: 1.2485617554217705
Energy: 1.2494243332187454
Energy: 1.2506855036431228
Energy: 1.3093946965461314
Energy: 1.2501394786291031
Energy: 1.2495950581300543
Energy: 1.2030011855608982
Energy: 1.2033567608015088
Energy: 1.2353199893906184
Energy: 1.208372533131749
Energy: 1.2503514027301308
Energy: 1.203031835145394
Energy: 1.200008675439292
Energy: 1.249340195410646
Energy: 1.2502232725155336
Energy: 1.2541767349899582
Energy: 1.2498802694509337
Energy: 1.2623255808254774
Energy: 1.204520531069058
Energy: 1.2494168933754821
Energy: 1.2503391537237525
Energy: 1.232545886261863
Energy: 1.2501926602818818
Energy: 1.2518941385626017
Energy: 1.203775616492944
Energy: 1.2707319564493849
Energy: 1.230930128616466
Energy: 1.2043371987173785
Energy: 1.2305897854433987
Energy: 1.2034960147973872
Energy: 1.2465249447378162
Energy: 1.2312665430931686
Energy: 1.2325068892241358
Energy: 1.2962215216064392
Energy: 1.2310564864586717
Energy: 1.2309901107787717
Energy: 1.2699036001885562
Energy: 1.2312828910161775
Energy: 1.2324779290879855
Energy: 1.2967371009900515
Energy: 1.2308938814481294
Energy: 1.2308693454448636
Energy: 1.2030695386471295
Energy: 1.2308276479314937
Energy: 1.2308195335248024
Energy: 1.2067359881002637
Energy: 1.230808538713436
Energy: 1.2335257344033748
Energy: 1.2446185489343846
Energy: 1.2300479059822753
Energy: 1.2308581354471595
Energy: 1.2329999594885523
Energy: 1.230517585137099
Energy: 1.2520163710110352
Energy: 1.2508800879257758
Energy: 1.2356610966009722
Energy: 1.2320955318216433
Energy: 1.251681894170762
Energy: 1.2320124496269862
Energy: 1.2366049709871654
Energy: 1.2083829646746618
Energy: 1.2310839546674428
Energy: 1.2156007813895753
Energy: 1.2038466539467776
Energy: 1.249405786368536
Energy: 1.2323456137836974
Energy: 1.2546404339872803
Energy: 1.2496502797122293
Energy: 1.249046763574374
Energy: 1.249722858822443
Energy: 1.249140731760202
Energy: 1.2501349738315604
Energy: 1.256904704260261
Energy: 1.2501178666485746
Energy: 1.2638223126328327
Energy: 1.2497712891925428
Energy: 1.2499323747790263
Energy: 1.2495463813277503
Energy: 1.271804265859488
Energy: 1.250758673078338
Energy: 1.2147711402733985
Energy: 1.2583800988120257
Energy: 1.2497460503656508
Energy: 1.231899881884756
Energy: 1.2548688932813485
Energy: 1.24996609744208
Energy: 1.2519245510904853
Energy: 1.2519528547818892
Energy: 1.2492465530904155
Energy: 1.2497276771145902
Energy: 1.2026681056449644
Energy: 1.2499321065955347
Energy: 1.2489710771744644
Energy: 1.2021831621701529
Energy: 1.2493817182954865
Energy: 1.2374473590027546
Energy: 1.3290571890810594
Energy: 1.2604690805265422
Energy: 1.2317161743712823
Energy: 1.255382130960094
Energy: 1.2315140223490693
Energy: 1.232741902142326

minimum gb energy = 1.200008675439292 eV
minimum distance =  2.24401416912351 Angstroms
sigma value = 33


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

Energy: 1.3306900087962932
Energy: 1.3003254015250347
Energy: 1.3002366397076346
Energy: 1.2912709460648706
Energy: 1.2998505878348905
Energy: 1.307710584930025
Energy: 1.4013721285906884
Energy: 1.3104736971980602
Energy: 1.2946932449923216
Energy: 1.2889868294999398
Energy: 1.2996819046394203
Energy: 1.3131077816777865
Energy: 1.3882537742192647
Energy: 1.3104324660376723
Energy: 1.3483392607233902
Energy: 1.3265761844582404
Energy: 1.310564635589955
Energy: 1.3113839508637146
Energy: 1.3618133997774882
Energy: 1.3096515780616804
Energy: 1.3092712106423119
Energy: 1.305947474561543
Energy: 1.3091368711642608
Energy: 1.3220442996429367
Energy: 1.3843340872063785
Energy: 1.3100028189080357
Energy: 1.2866644927217483
Energy: 1.3907537402786994
Energy: 1.343106925127497
Energy: 1.3101718398672306
Energy: 1.3034542017118245
Energy: 1.3202512560459938
Energy: 1.3204520543450007
Energy: 1.2875613592979254
Energy: 1.3215444868591353
Energy: 1.3198499346407935
Energy: 1.3031725166293218
Energy: 1.320256587640736
Energy: 1.3200756853255056
Energy: 1.3152056957266394
Energy: 1.320589286798148
Energy: 1.3199523452699764
Energy: 1.3268822546032015
Energy: 1.2857857290116188
Energy: 1.2877466590721744
Energy: 1.3342724631211036
Energy: 1.3214514247200881
Energy: 1.2852785534339386
Energy: 1.3238123128343453
Energy: 1.3079112998430882
Energy: 1.3100915116124496
Energy: 1.362537414828268
Energy: 1.3075961620849135
Energy: 1.3262245935593049
Energy: 1.307726360680313
Energy: 1.3067893835699291
Energy: 1.3082909561501825
Energy: 1.3422051983343999
Energy: 1.3067540055932776
Energy: 1.3031566584148806
Energy: 1.327311604398368
Energy: 1.283888415293306
Energy: 1.3084191193091717
Energy: 1.3287537659908426
Energy: 1.3071151717330807
Energy: 1.2836129774908482
Energy: 1.301200159588086
Energy: 1.2838239374185438
Energy: 1.2849676504942953
Energy: 1.325479926874711
Energy: 1.2841322168114588
Energy: 1.2838260660224727
Energy: 1.2917512393063266
Energy: 1.28375687808632
Energy: 1.2846164720828075
Energy: 1.272395494313045
Energy: 1.284213395633571
Energy: 1.2802920163425415
Energy: 1.3016205041695736
Energy: 1.2842198355154082
Energy: 1.308308957074054
Energy: 1.328870542413812
Energy: 1.307030264158332
Energy: 1.2843100788884885
Energy: 1.2766313439343424
Energy: 1.3119172232557892
Energy: 1.3124315068328225
Energy: 1.3420928362552857
Energy: 1.3129191518284167
Energy: 1.3119111053171117
Energy: 1.304767350260558
Energy: 1.31211985799632
Energy: 1.3147000526651058
Energy: 1.3628334693856212
Energy: 1.3132667012948362
Energy: 1.3327085683813213
Energy: 1.3006247666415411
Energy: 1.2900725684156367
Energy: 1.297223688190703
Energy: 1.307762809061679
Energy: 1.319168561537905
Energy: 1.2895319945599704
Energy: 1.2635472769471632
Energy: 1.3182608118300747
Energy: 1.3187766431381567
Energy: 1.3648488655447475
Energy: 1.3191824811924808
Energy: 1.3119773785451085
Energy: 1.2629029866024402
Energy: 1.318452242573003
Energy: 1.3193098656555284
Energy: 1.297336550299895
Energy: 1.3191189758780666
Energy: 1.3109523345204377
Energy: 1.3038241266821273
Energy: 1.2968834872980477
Energy: 1.29672667181508
Energy: 1.2895798584939897
Energy: 1.2967423108727891
Energy: 1.2982541304092594
Energy: 1.302628165813824
Energy: 1.2975582169138624
Energy: 1.2969752185738699
Energy: 1.2506303768502425
Energy: 1.2971097175030464
Energy: 1.3000746243624346
Energy: 1.3052031003098856
Energy: 1.2990773687972377
Energy: 1.3004148233160866
Energy: 1.2780537128397378
Energy: 1.2995854488399903
Energy: 1.3021403751002134
Energy: 1.4020644668225635
Energy: 1.3999422587745194
Energy: 1.30430425039435
Energy: 1.2976832852550455
Energy: 1.3172251283159748
Energy: 1.346857040497441
Energy: 1.3192163687414753
Energy: 1.313894969886354
Energy: 1.3179567188850514
Energy: 1.2891579643929247
Energy: 1.314783071597489
Energy: 1.3088064129957722
Energy: 1.375055807090222
Energy: 1.3992915179637475
Energy: 1.3144073051076395
Energy: 1.2898471179592197
Energy: 1.3141942862518972
Energy: 1.3462200580824324
Energy: 1.3035695540416266
Energy: 1.3127608129214554
Energy: 1.3177175295256047
Energy: 1.2922521540835334
Energy: 1.3183015907291875
Energy: 1.3015259318930696
Energy: 1.2959254244513456
Energy: 1.3173773161801516
Energy: 1.3169089325598513
Energy: 1.289293475762461
Energy: 1.3176116973976781
Energy: 1.317186200908817
Energy: 1.3029477451317568
Energy: 1.3174846910065892
Energy: 1.2841333830808859
Energy: 1.2842908759906815
Energy: 1.319073313486312
Energy: 1.3000711960295923
Energy: 1.3757280288277813
Energy: 1.3117825690749407
Energy: 1.4005993106736039
Energy: 1.3219808517632603
Energy: 1.3111391179972605
Energy: 1.3122082073463337
Energy: 1.3746898105354648
Energy: 1.3096250130991038
Energy: 1.3042543235485904
Energy: 1.3154565486193206
Energy: 1.3087396695876858
Energy: 1.310855110261113
Energy: 1.3825888727697873
Energy: 1.309895097424373
Energy: 1.3134807741747243
Energy: 1.3045987810893176
Energy: 1.405052245930848
Energy: 1.3115405608079165
Energy: 1.3862097451326933
Energy: 1.2854112968567373
Energy: 1.2843441015799038
Energy: 1.2850014740460411
Energy: 1.2846488176942799
Energy: 1.3939198395760448
Energy: 1.305769492227275
Energy: 1.2840300381237963
Energy: 1.2837561662216714
Energy: 1.2806321866323056
Energy: 1.2835790384437158
Energy: 1.3016672943954004
Energy: 1.3832819415088846
Energy: 1.3070391298109876
Energy: 1.2837255869996533
Energy: 1.2981178637165431
Energy: 1.2842220645793774
Energy: 1.3076091214165226
Energy: 1.403743072939278
Energy: 1.3149700241213609
Energy: 1.3141358182885214
Energy: 1.2763692413844219
Energy: 1.314256102863235
Energy: 1.3147569728734834
Energy: 1.375679959042414
Energy: 1.3150183515245997
Energy: 1.3142359895212383
Energy: 1.2783083808839157
Energy: 1.3142689977731066
Energy: 1.3486908770713786
Energy: 1.383987570675741
Energy: 1.3079927290995035
Energy: 1.2586300259966414
Energy: 1.2582413065434563
Energy: 1.259215070210015
Energy: 1.310070543607583
Energy: 1.362202105225292
Energy: 1.3155784257684613
Energy: 1.3146439012948308
Energy: 1.2634020191445585
Energy: 1.3146847989757642
Energy: 1.3296728726081242
Energy: 1.3836526297895662
Energy: 1.3149878429448865
Energy: 1.314256449628511
Energy: 1.3098818856657433
Energy: 1.3142971681726858
Energy: 1.3146154594977109
Energy: 1.404985544334531
Energy: 1.3093582040956415
Energy: 1.2863145448871849
Energy: 1.287049932049722
Energy: 1.2866058355955408
Energy: 1.309652311551618
Energy: 1.3528339464054335
Energy: 1.28654131036166
Energy: 1.2862462417660534
Energy: 1.2784326191292408
Energy: 1.2860368078921454
Energy: 1.3047714607964176

minimum gb energy = 1.2506303768502425 eV
minimum distance =  2.23657100740518 Angstroms
sigma value = 51


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

Energy: 2.6645287915423377
Energy: 1.388011942743388
Energy: 1.3883655265495798
Energy: 1.379479241948683
Energy: 1.3882168287965089
Energy: 1.341054773822471
Energy: 1.2481425670568984
Energy: 1.4002409974568135
Energy: 1.3771700272295486
Energy: 1.37293420408176
Energy: 1.410306299696539
Energy: 1.3786662997930088
Energy: 1.2485757701675406
Energy: 1.374587619287431
Energy: 1.3999424749986649
Energy: 1.4894659399204364
Energy: 1.3748001315997231
Energy: 1.3740171184545276
Energy: 1.4231161778613712
Energy: 1.3749396994709469
Energy: 1.3739793534685596
Energy: 1.3286141501388717
Energy: 1.3740947373172891
Energy: 1.376772225350023
Energy: 1.278709985289711
Energy: 1.3756808696838074
Energy: 1.3151713514530234
Energy: 1.3745044857352595
Energy: 1.3161932645096543
Energy: 1.3738872838498006
Energy: 1.248263188726431
Energy: 1.405532657420639
Energy: 1.3151104962412257
Energy: 1.372149787163514
Energy: 1.4051703853623125
Energy: 1.4067918347133936
Energy: 1.2457668025302766
Energy: 1.4062530577460297
Energy: 1.4056359964612037
Energy: 1.502583380851598
Energy: 1.4060153198499938
Energy: 1.405609884461252
Energy: 1.2454836557259237
Energy: 1.245490825316432
Energy: 1.3148820349541215
Energy: 1.372119303612448
Energy: 1.4848256091706236
Energy: 1.24575826763094
Energy: 1.246033793968266
Energy: 1.3129590301019434
Energy: 1.3135709560509883
Energy: 1.4924548669136446
Energy: 1.3139719456526793
Energy: 1.404478921200209
Energy: 1.2490063373138363
Energy: 1.3125720484887118
Energy: 1.3141193628061658
Energy: 1.3126501947079077
Energy: 1.3145729306768694
Energy: 1.3121800567019999
Energy: 1.2455141391850713
Energy: 1.2451439622558356
Energy: 1.3163068736418064
Energy: 1.3805174451484936
Energy: 1.3168555015866472
Energy: 1.245953440010952
Energy: 1.2446451533281524
Energy: 1.3751201468332865
Energy: 1.3753142732940595
Energy: 1.328303943119306
Energy: 1.375177899727909
Energy: 1.2449283987080673
Energy: 1.2459056839762237
Energy: 1.375398807871392
Energy: 1.3756447977478068
Energy: 1.3284369281626078
Energy: 1.3750441632068557
Energy: 1.375332803623928
Energy: 1.244127431595068
Energy: 1.3810451062100402
Energy: 1.3170583520396333
Energy: 1.3776797409062354
Energy: 1.3158983279759016
Energy: 1.2451158474942237
Energy: 1.245473531630867
Energy: 1.395408613795504
Energy: 1.3958600006463457
Energy: 1.3322100540413262
Energy: 1.3957994059346146
Energy: 1.4298252996924952
Energy: 1.249655511316682
Energy: 1.3955956355408203
Energy: 1.3962753624909285
Energy: 1.4852131213864324
Energy: 1.3958737976728897
Energy: 1.3739113291797127
Energy: 1.260001409218259
Energy: 1.375945294357162
Energy: 1.408176663395023
Energy: 1.3830650529003201
Energy: 1.3154685183181818
Energy: 1.395366320607846
Energy: 1.312304729020389
Energy: 1.4139452348813133
Energy: 1.3717575141803646
Energy: 1.4499682125037856
Energy: 1.3718420430147005
Energy: 1.332563136585046

minimum gb energy = 1.244127431595068 eV
minimum distance =  2.23102632704098 Angstroms
sigma value = 19


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

Energy: 2.153800758833107
Energy: 1.376521509541129
Energy: 1.3395308628719462
Energy: 1.3401130802541774
Energy: 1.3779805424689997
Energy: 1.3946668017906243
Energy: 1.3634569166296528
Energy: 1.3859295041928672
Energy: 1.3402513038238932
Energy: 1.3191457128924198
Energy: 1.3394605106019188
Energy: 1.3858876740044204
Energy: 1.3516176847390862
Energy: 1.384573434243393
Energy: 1.383451497727167
Energy: 1.3167148036763674
Energy: 1.3840530716757227
Energy: 1.383704375173403
Energy: 1.556147968309023
Energy: 1.3857895480276752
Energy: 1.3841839409139636
Energy: 1.404659695458074
Energy: 1.3847908662685955
Energy: 1.3863600054128475
Energy: 1.3517579541548526
Energy: 1.4012714641504171
Energy: 1.368812076471218
Energy: 1.3186626901755754
Energy: 1.4038999509631516
Energy: 1.3880785987827158
Energy: 1.4013647003131373
Energy: 1.3890991278395037
Energy: 1.3685909454603786
Energy: 1.3180582946800998
Energy: 1.3869793231736451
Energy: 1.383983491933083
Energy: 1.3512847301219133
Energy: 1.4000171451566161
Energy: 1.3878360250321757
Energy: 1.386454074489803
Energy: 1.400308589100103
Energy: 1.3836351082310887
Energy: 1.3517044328943901
Energy: 1.3868607379202789
Energy: 1.3683110254858437
Energy: 1.3170869737674966
Energy: 1.3877626427604168
Energy: 1.3849961044630763
Energy: 1.3106992518254057
Energy: 1.387356934912442
Energy: 1.3389238506381451
Energy: 1.317529697270321
Energy: 1.339223092640351
Energy: 1.3839822704830356
Energy: 1.3105602982447855
Energy: 1.339042318126574
Energy: 1.339802777665809
Energy: 1.3415151975441122
Energy: 1.3396689349060351
Energy: 1.3853053937026516
Energy: 1.3621561840801795
Energy: 1.4010332854519636
Energy: 1.3735165531313167
Energy: 1.357902277907055
Energy: 1.39407439152726
Energy: 1.41010443282198
Energy: 1.3508794512186362
Energy: 1.3883047807688746
Energy: 1.389007387469607
Energy: 1.405953214589824
Energy: 1.388716670553444
Energy: 1.3844625886019508
Energy: 1.6565245166890172
Energy: 1.3893070713265447
Energy: 1.3890968359241618
Energy: 1.4062128390227586
Energy: 1.3889790709448777
Energy: 1.3889623448287736
Energy: 1.3507796709921769
Energy: 1.3877336660644313
Energy: 1.384715158842786
Energy: 1.3524145854115428
Energy: 1.3871824455169555
Energy: 1.3521233702985422
Energy: 1.3592803786510288
Energy: 1.3394109756616772
Energy: 1.4051319053605145
Energy: 1.2831199831668076
Energy: 1.3750757928681068
Energy: 1.3392808923515667
Energy: 1.3170931512211963
Energy: 1.3397796424492485
Energy: 1.3664241428809187
Energy: 1.337533549115575
Energy: 1.339365075080686
Energy: 1.3395725954520121
Energy: 1.3121599079538238
Energy: 1.3396726950315856
Energy: 1.4013221075416027
Energy: 1.3484687344781165
Energy: 1.4010899224729392
Energy: 1.3748528817688834
Energy: 1.346156440869004
Energy: 1.3837768011550562
Energy: 1.3852938296896335
Energy: 1.4052578609828121
Energy: 1.3841660034124437
Energy: 1.3839808929120034
Energy: 1.3462923639871922
Energy: 1.3836938454483596
Energy: 1.3840746542770117
Energy: 1.4998219575801015
Energy: 1.38360071271268
Energy: 1.4040924283845653
Energy: 1.3069412405745064
Energy: 1.3864510451216394
Energy: 1.3843136648125949
Energy: 1.3529930172156905
Energy: 1.3853230951612316
Energy: 1.344925193385839
Energy: 1.3399587827879866
Energy: 1.384147548486241
Energy: 1.3843140669887224
Energy: 1.5555811486436213
Energy: 1.384154613639752
Energy: 1.4041355507839377
Energy: 1.3400960588612454
Energy: 1.3843424896636822
Energy: 1.385812292815372
Energy: 1.3839674769384414
Energy: 1.3857474077545702
Energy: 1.3829552345537552
Energy: 1.3071801818729756
Energy: 1.3704887431609696
Energy: 1.384033377878332
Energy: 1.363267891674378
Energy: 1.384081450183541
Energy: 1.3399888762700436
Energy: 1.3172098170518476
Energy: 1.3391356400131735
Energy: 1.384861629411514
Energy: 1.3107598525227953
Energy: 1.3387337337835596
Energy: 1.3392562783318616
Energy: 1.3577728414567773
Energy: 1.3389051099424596
Energy: 1.3875720333959944
Energy: 1.31059815013408
Energy: 1.3390296465977145
Energy: 1.3391059623900927
Energy: 1.3494798447489955
Energy: 1.3690366721851852
Energy: 1.3882065197893485
Energy: 1.348813798302877
Energy: 1.3893686652216208
Energy: 1.3694995946796547
Energy: 1.3494536461641395
Energy: 1.388503799544004
Energy: 1.3887897525712662
Energy: 1.4064983731840819
Energy: 1.3888383954726233
Energy: 1.3882839891538934
Energy: 1.3507356353022608
Energy: 1.3881429885879206
Energy: 1.3887603348327118
Energy: 1.3882946105877603
Energy: 1.3883992178124103
Energy: 1.3850339188414222
Energy: 1.3488855341176806
Energy: 1.3839492673182052
Energy: 1.370548756892934
Energy: 1.3595917388651257
Energy: 1.3685023881272602
Energy: 1.4099379279477173
Energy: 1.337093579692606
Energy: 1.3759154216081628
Energy: 1.3395936298734838
Energy: 1.3631191777038536
Energy: 1.3391679237299416
Energy: 1.366901210595632

minimum gb energy = 1.2831199831668076 eV
minimum distance =  2.21221023347515 Angstroms
sigma value = 27


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

Energy: 1.7288380805008157
Energy: 1.3351916406397137
Energy: 1.3349021462177775
Energy: 1.189750089071455
Energy: 1.3358762179280692
Energy: 1.3242754849182403
Energy: 1.1927164865865865
Energy: 1.3206796157589356
Energy: 1.3061966961127642
Energy: 1.1918588330855029
Energy: 1.3075128518555872
Energy: 1.3075383677215133
Energy: 1.2163179013217786
Energy: 1.3062566560549955
Energy: 1.30624101964804
Energy: 1.1919091309295229
Energy: 1.3063002636801726
Energy: 1.3054163392788434
Energy: 1.3688252473934033
Energy: 1.308731866008704
Energy: 1.3074406752392207
Energy: 1.3127405818653108
Energy: 1.308044201950193
Energy: 1.308668235308447
Energy: 1.1917542088727298
Energy: 1.3120675673409665
Energy: 1.3198504955238266
Energy: 1.1910852796810543
Energy: 1.3201486327090919
Energy: 1.3122626991145563
Energy: 1.1908052304706067
Energy: 1.3083976603741714
Energy: 1.3206951585928668
Energy: 1.193031295077162
Energy: 1.3219518685474991
Energy: 1.3093658894208924
Energy: 1.1896482581650618
Energy: 1.3358723258152279
Energy: 1.3238910489778892
Energy: 1.7310220196901522
Energy: 1.3351438652752146
Energy: 1.3352229000509697
Energy: 1.1906803015436696
Energy: 1.3065906251868227
Energy: 1.3090499819177912
Energy: 1.191941835045279
Energy: 1.3215951328981743
Energy: 1.3061701049840841
Energy: 1.1917862652829718
Energy: 1.3059865595147309
Energy: 1.30563203597227
Energy: 1.1901633384478223
Energy: 1.3065398266233792
Energy: 1.319247759557416
Energy: 1.3909390663792836
Energy: 1.3077458009421705
Energy: 1.3085045192968776
Energy: 1.3101085709012048
Energy: 1.3084799075429938
Energy: 1.3070415052038293
Energy: 1.2177920785828773
Energy: 1.3202097428917796
Energy: 1.31220432567161
Energy: 1.1909611769761825
Energy: 1.3120216458621414
Energy: 1.320352748028264
Energy: 1.378670802995018
Energy: 1.3205756054801416
Energy: 1.308326840019306
Energy: 1.1916684704635652
Energy: 1.3083118052849039
Energy: 1.3203067616255153

minimum gb energy = 1.1896482581650618 eV
minimum distance =  2.26346066908519 Angstroms
sigma value = 9


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

Energy: 1.254541529212487
Energy: 1.3609689150202084
Energy: 1.358768370938435
Energy: 1.329448862574477
Energy: 1.36069964712552
Energy: 1.4260895671620006
Energy: 1.3442484074171415
Energy: 1.4917136542013443
Energy: 1.3157159686482613
Energy: 1.3247801542240627
Energy: 1.3154740521822053
Energy: 1.3805405783201703
Energy: 1.3246103994898717
Energy: 1.4466969513192904
Energy: 1.4479777896709938
Energy: 1.3568131214770274
Energy: 1.4483670227588028
Energy: 1.4283037165894528
Energy: 1.2539607791772645
Energy: 1.4462453992813658
Energy: 1.4464760664265648
Energy: 1.3579463624251245
Energy: 1.4465343830035147
Energy: 1.4480188882140523
Energy: 1.3577468037453453
Energy: 1.4476481463329889
Energy: 1.4468773981168066
Energy: 1.3244849069266413
Energy: 1.447936728274897
Energy: 1.4482059545308077
Energy: 1.3250875396562087
Energy: 1.3154504486637466
Energy: 1.44936355130658
Energy: 1.3438360933649967
Energy: 1.4386899510152256
Energy: 1.3154597690757197
Energy: 1.2939460035710446
Energy: 1.2910722190692474
Energy: 1.4117187866410832
Energy: 1.4332541993391292
Energy: 1.2912479406422595
Energy: 1.3164403119905779
Energy: 1.2925052642923218
Energy: 1.315210355578205
Energy: 1.4899756885493318
Energy: 1.3436197283461713
Energy: 1.4389228886469843
Energy: 1.3154926396238056
Energy: 1.3053707512716204
Energy: 1.4359608611123584
Energy: 1.4411473911884558
Energy: 1.324385051054996
Energy: 1.4890775098961444
Energy: 1.4285696291887895
Energy: 1.303602634264703
Energy: 1.4312985210135183
Energy: 1.4271966426473448
Energy: 1.3233927676081927
Energy: 1.426873235495033
Energy: 1.428152575634463
Energy: 1.2955633598252394
Energy: 1.4276007538038518
Energy: 1.4256904983102168
Energy: 1.3232496604329969
Energy: 1.4260720569593777
Energy: 1.449535516796401
Energy: 1.2918050492960031
Energy: 1.4706437020278929
Energy: 1.3894542419253093
Energy: 1.3643177605146608
Energy: 1.389245420526609
Energy: 1.4283893119586155
Energy: 1.3551049456247577
Energy: 1.40748759188903
Energy: 1.4069388652829662
Energy: 1.3413197900268694
Energy: 1.4093148218657672
Energy: 1.444382807855536
Energy: 1.2917722754608498
Energy: 1.4826363765238506
Energy: 1.3908184163221946
Energy: 1.3433965605232931
Energy: 1.3887020999629378
Energy: 1.414368520341805
Energy: 1.2969716223778969
Energy: 1.5283501019626582
Energy: 1.3891382962748695
Energy: 1.3428790048773998
Energy: 1.3905149367832017
Energy: 1.409218051870139
Energy: 1.3858723738269403
Energy: 1.3889858871201852
Energy: 1.3898208597574486
Energy: 1.3420159435724859
Energy: 1.3900933217679179
Energy: 1.4048709736277623
Energy: 1.253972629400682
Energy: 1.3885953740024108
Energy: 1.388901221142011
Energy: 1.3617461942118614
Energy: 1.3887929095880094
Energy: 1.4319994777043659
Energy: 1.3316471848790525
Energy: 1.4275165018263007
Energy: 1.3890874899570493
Energy: 1.3246271707547848
Energy: 1.4263265281272517
Energy: 1.4171705668121675
Energy: 1.3081304277340289
Energy: 1.4426744240515648
Energy: 1.4402226227863584
Energy: 1.394943143050914
Energy: 1.4417040370390413
Energy: 1.4415492192168708
Energy: 1.3046439272367791
Energy: 1.4291740633741516
Energy: 1.4278291912349916
Energy: 1.3240291206908652
Energy: 1.4263986172627967
Energy: 1.4274924561736617
Energy: 1.2913576385839796
Energy: 1.3165189440929095
Energy: 1.4896671221667426
Energy: 1.3634131477380638
Energy: 1.489295997405645
Energy: 1.2913406834481143
Energy: 1.2937228254628381
Energy: 1.3166441922571768
Energy: 1.3646862331046539
Energy: 1.2507281258177634
Energy: 1.3155822107451571
Energy: 1.3168816518635553
Energy: 1.3202897317667817
Energy: 1.3154241873114143
Energy: 1.418564091113845
Energy: 1.2504174321143207
Energy: 1.3147676678813178
Energy: 1.3151871122639622
Energy: 1.325184266983735
Energy: 1.439254264175653
Energy: 1.4486466562837421
Energy: 1.3637745370785999
Energy: 1.4493390068760978
Energy: 1.3172103568767188
Energy: 1.356754791876171
Energy: 1.448309403810909
Energy: 1.4477817641389126
Energy: 1.315393925354717
Energy: 1.448099539739072
Energy: 1.4480192327748476
Energy: 1.324654194226142
Energy: 1.4478831102076535
Energy: 1.4459447049380734
Energy: 1.2540701620374264
Energy: 1.446757353698644
Energy: 1.4484415161651039
Energy: 1.3619537205776824
Energy: 1.4469011206953921
Energy: 1.3170499540386356
Energy: 1.3249169438263746
Energy: 1.3177797502216295
Energy: 1.4287110899267919
Energy: 1.3550939806878441
Energy: 1.3158542700036364
Energy: 1.3168685087312189
Energy: 1.306420843746077
Energy: 1.316229979344724
Energy: 1.3882578460636588
Energy: 1.2884940508539864
Energy: 1.315156665456797
Energy: 1.3149591175608788
Energy: 1.2906363151442568
Energy: 1.3148044396185328
Energy: 1.3887580750813553
Energy: 1.3631114661548336
Energy: 1.4892128363875001
Energy: 1.2920107234762068
Energy: 1.2931155003534964
Energy: 1.4408956689058248
Energy: 1.389674088249221
Energy: 1.3247439907109464
Energy: 1.4259129452931565
Energy: 1.4264387413814699
Energy: 1.3052669247303001
Energy: 1.4261194204693135
Energy: 1.4279743608697002
Energy: 1.3879524173990807
Energy: 1.428297212617981
Energy: 1.4387918992319428
Energy: 1.291935000615807
Energy: 1.4347362292646617
Energy: 1.4436270719988638
Energy: 1.3247465321269203
Energy: 1.3904953303470993
Energy: 1.4277802085189255
Energy: 1.29716106659871
Energy: 1.4301543538542454
Energy: 1.3893466544337576
Energy: 1.343019187010021
Energy: 1.390085165491337
Energy: 1.3894256923002943
Energy: 1.3208641297935826
Energy: 1.3895577641355614
Energy: 1.3886365508692828
Energy: 1.3409239717091703
Energy: 1.3888649670401279
Energy: 1.3885257036844645
Energy: 1.320809481392589
Energy: 1.3886753022620324
Energy: 1.3886361498750905
Energy: 1.3392443133405934
Energy: 1.4323497066884345
Energy: 1.4309017248626341
Energy: 1.3333181385742303
Energy: 1.5284316162802989
Energy: 1.3432143369423424
Energy: 1.4021621414027103
Energy: 1.389138527637629
Energy: 1.4830617867774505
Energy: 1.2543901071231907
Energy: 1.38820232171107
Energy: 1.3888288362611803
Energy: 1.3415929537668336
Energy: 1.390354719816467
Energy: 1.4058347088863739
Energy: 1.3209186376618878
Energy: 1.3901337934505702
Energy: 1.3893071752145685
Energy: 1.3246806636501218
Energy: 1.390015851921558
Energy: 1.4284792659871854
Energy: 1.2953810332785065
Energy: 1.4276465640564857
Energy: 1.3171183678350844
Energy: 1.354393990865012
Energy: 1.4274733128169432
Energy: 1.4346204705641055
Energy: 1.2925206746712603
Energy: 1.4326170141920473
Energy: 1.426489803430999
Energy: 1.3246810710084305
Energy: 1.4258084779093665
Energy: 1.4259306954794486
Energy: 1.2929854787036685
Energy: 1.4263955039363883
Energy: 1.4275259158218692
Energy: 1.3642676608975235
Energy: 1.4888832785836676
Energy: 1.4294203802632812
Energy: 1.2935564166140097
Energy: 1.4429323086632673
Energy: 1.3900485765614754
Energy: 1.2501922293980887
Energy: 1.3161291338406909
Energy: 1.315061539132629
Energy: 1.2898917276145478
Energy: 1.3153735139917415
Energy: 1.437005548633175

minimum gb energy = 1.2501922293980887 eV
minimum distance =  2.22979595026173 Angstroms
sigma value = 57


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

Energy: 2.466329795745513
Energy: 1.3339088969718143
Energy: 1.1922328818223116
Energy: 1.1373014326376663
Energy: 1.3338088060735185
Energy: 1.3968125761487173
Energy: 1.1331694055872301
Energy: 1.388957128397596
Energy: 1.2822939443645478
Energy: 1.1320325980092254
Energy: 1.2829200303659356
Energy: 1.3787011577840083
Energy: 1.1340045352824293
Energy: 1.389333834398697
Energy: 1.3920501437663813
Energy: 1.1697658043887644
Energy: 1.390055510622983
Energy: 1.2837762284839198
Energy: 1.129784564632719
Energy: 1.3890979593317785
Energy: 1.3894015756387939
Energy: 1.1336808710783064
Energy: 1.3895535388956015
Energy: 1.1293359790933744
Energy: 1.1291610163309966
Energy: 1.3900868907539288
Energy: 1.3889637773477106
Energy: 1.134879433876581
Energy: 1.3902837659666394
Energy: 1.3221640334273868
Energy: 1.1312315926299548
Energy: 1.2820714526604788
Energy: 1.3898664419802857
Energy: 1.134843176959988
Energy: 1.282693889602899
Energy: 1.2809877065400515
Energy: 1.1700879881806017
Energy: 1.2979240190364771
Energy: 1.299579656848722
Energy: 1.3151805098551932
Energy: 1.2998875970312003
Energy: 1.3009699918353215
Energy: 1.1343364297205876
Energy: 1.2822954490883323
Energy: 1.3901639732235433
Energy: 1.2857546580067643
Energy: 1.2837096130282695
Energy: 1.2825130602705108
Energy: 1.1673374646118067
Energy: 1.3933965078068553
Energy: 1.3890513857454472
Energy: 1.1360531573251322
Energy: 1.3907449637225728
Energy: 1.1674465208120004
Energy: 1.1673834328727926
Energy: 1.284260753371172
Energy: 1.3779058561668234
Energy: 1.1269555421490065
Energy: 1.28390963435871
Energy: 1.1679509660599339
Energy: 1.133980535708602
Energy: 1.283460489142067
Energy: 1.3759754924553365
Energy: 1.1267220893509655
Energy: 1.2826705489550312
Energy: 1.1345642153001545
Energy: 1.134054723028957
Energy: 1.3949223868946385
Energy: 1.3768603465097822
Energy: 1.1339029188289298
Energy: 1.3951540382684973
Energy: 1.283992779068109
Energy: 1.1698484104172335
Energy: 1.391874982525802
Energy: 1.320334973370688
Energy: 1.2948036946043813
Energy: 1.3953922782600687
Energy: 1.3905275767556387
Energy: 1.1336486514836834
Energy: 1.395472368065356
Energy: 1.3895214917800465
Energy: 1.1287128110608324
Energy: 1.3904617233876218
Energy: 1.3952825960739532
Energy: 1.1354935785678086
Energy: 1.3951160279114811
Energy: 1.284613040738175
Energy: 1.1356126904740207
Energy: 1.2846778971703676
Energy: 1.3773766508421965
Energy: 1.1227644681497013
Energy: 1.283839007033874
Energy: 1.2852472254976381
Energy: 1.1341568966458664
Energy: 1.286012320617907
Energy: 1.3154041283657862
Energy: 1.122755381638124
Energy: 1.281844451343101
Energy: 1.2829390957450302
Energy: 1.1679166638601464
Energy: 1.2824776179332602
Energy: 1.377208363900928
Energy: 1.1335592287637926
Energy: 1.400771436930489
Energy: 1.2990997532015154
Energy: 1.1662827989415572
Energy: 1.3966530235713228
Energy: 1.3765221509366605
Energy: 1.1260806124910758
Energy: 1.3760391776140921
Energy: 1.2826808252725859
Energy: 1.167823096437273
Energy: 1.2827877983432994
Energy: 1.394611967615907

minimum gb energy = 1.122755381638124 eV
minimum distance =  2.23730835690716 Angstroms
sigma value = 11


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

Energy: 1.4662893247833106
Energy: 1.237572405721174
Energy: 1.110118995302517
Energy: 1.1109025567451198
Energy: 1.2370341669875238
Energy: 1.0635559390370724
Energy: 1.0531442738227663
Energy: 1.31629733033197
Energy: 1.175868230720514
Energy: 1.0509119696774079
Energy: 1.1741364021730811
Energy: 1.3383585475621111
Energy: 1.0544729213733663
Energy: 1.312317580001971
Energy: 1.3158091803150385
Energy: 1.0519964081726445
Energy: 1.314797604554751
Energy: 1.3391089215655547
Energy: 1.1610758708157327
Energy: 1.312038441947856
Energy: 1.3158133077506695
Energy: 1.1756578158261777
Energy: 1.314743367023017
Energy: 1.336479255971114
Energy: 1.0445811514209988
Energy: 1.3113669401564123
Energy: 1.3151506264731714
Energy: 1.0521861590734716
Energy: 1.3154830020275559
Energy: 1.3358716336387657
Energy: 1.049885420525175
Energy: 1.3115622141824628
Energy: 1.317299584166696
Energy: 1.053168687437976
Energy: 1.311885187770682
Energy: 1.3154958168709132
Energy: 1.0518083478242013
Energy: 1.223886684826241
Energy: 1.3150972634322424
Energy: 1.2213881999129306
Energy: 1.3161009879786247
Energy: 1.2252307727434155
Energy: 1.0471664061941302
Energy: 1.311825874148024
Energy: 1.3103514489368517
Energy: 1.0701235141945233
Energy: 1.3113065680644296
Energy: 1.3125869329715432
Energy: 1.0525687674651487
Energy: 1.174678476224048
Energy: 1.336261736862784
Energy: 1.175341165978693
Energy: 1.316615980361054
Energy: 1.177833784865351
Energy: 1.0529514814118757
Energy: 1.1757378867067092
Energy: 1.1748118397115042
Energy: 1.2217685393766988
Energy: 1.1753869583616054
Energy: 1.1780950778563117
Energy: 1.0709554918464026
Energy: 1.1749068736643296
Energy: 1.1736482357283908
Energy: 1.0470790341494804
Energy: 1.1736996703497624
Energy: 1.1764267350051847
Energy: 1.0658018828310438
Energy: 1.1765549384720746
Energy: 1.3356713510108698
Energy: 1.2759853934945713
Energy: 1.2943616888232439
Energy: 1.0687273005935114
Energy: 1.0703870716397357
Energy: 1.1743778205223778
Energy: 1.310931158787769
Energy: 1.0624325433957917
Energy: 1.1742281346130625
Energy: 1.0707583429096943
Energy: 1.0511457073852606
Energy: 1.211701210952595
Energy: 1.2785829541521343
Energy: 1.3398611622944998
Energy: 1.177142861420414
Energy: 1.0514292691142542
Energy: 1.0511941240249194
Energy: 1.1746497789270756
Energy: 1.3400007393108513
Energy: 1.177797750646889
Energy: 1.3182155545621086
Energy: 1.1747177803588003
Energy: 1.0555455851606301
Energy: 1.3165076080660683
Energy: 1.311432113077036
Energy: 1.2237167123273731
Energy: 1.3112039767367079
Energy: 1.3154724358654621
Energy: 1.053598628541663
Energy: 1.3163014651313865
Energy: 1.3402652229735068
Energy: 1.336565606017991
Energy: 1.3152686602937695
Energy: 1.2260080835892768
Energy: 1.0511066367432191
Energy: 1.3142998772158354
Energy: 1.3104848121071508
Energy: 1.0465977860644502
Energy: 1.312024893148356
Energy: 1.3172502861265725
Energy: 1.0545908245442053
Energy: 1.312193255005981
Energy: 1.3154309512601121
Energy: 1.052808060835556
Energy: 1.3119175938550656
Energy: 1.3151173266189493
Energy: 1.0483354622685874
Energy: 1.3160883129676704
Energy: 1.2238085761172635
Energy: 1.0515385905197874
Energy: 1.3153041385829456
Energy: 1.3125766854702603
Energy: 1.0529050225887342
Energy: 1.3109213283952796
Energy: 1.3145999562043447
Energy: 1.0477253078565445
Energy: 1.3139341873902903
Energy: 1.3384230177629166
Energy: 1.052941939778337
Energy: 1.3179375116193934
Energy: 1.1765582678920987
Energy: 1.0525593733805716
Energy: 1.1741614745540039
Energy: 1.3376721700467384
Energy: 1.04580569491324
Energy: 1.1774638937827953
Energy: 1.178705380805532
Energy: 1.0530325519743362
Energy: 1.1785474974294177
Energy: 1.3154941836073146
Energy: 1.046502428629633
Energy: 1.173401513460185
Energy: 1.1748951020157825
Energy: 1.0711064644737942
Energy: 1.1735371428819592
Energy: 1.3106091999910123
Energy: 1.050190994481437
Energy: 1.317869504430224
Energy: 1.068159276338435
Energy: 1.0665678930754028
Energy: 1.2921670047922689
Energy: 1.3357628624677205
Energy: 1.0450430595405413
Energy: 1.1747281702696764
Energy: 1.1774956003534685
Energy: 1.0720507000859987
Energy: 1.174940107916423
Energy: 1.2747300221251252

minimum gb energy = 1.0445811514209988 eV
minimum distance =  2.21177028567428 Angstroms
sigma value = 41


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

Energy: 1.8338162235374387
Energy: 0.9844253421619696
Energy: 1.02978665965941
Energy: 1.0296150983583494
Energy: 0.9844771086443777
Energy: 1.2558400339153801
Energy: 0.9642590907286006
Energy: 1.2432788840008353
Energy: 1.0733076941323871
Energy: 1.0809896180779253
Energy: 1.0733417900796938
Energy: 1.239093314368525
Energy: 0.9635465340130073
Energy: 1.2009207858985904
Energy: 1.2100175060283476
Energy: 1.0747540956065618
Energy: 1.2002813847508518
Energy: 1.2432750140696536
Energy: 1.190963781031095
Energy: 1.2013162367474448
Energy: 1.2112819015818121
Energy: 1.074741163683077
Energy: 1.1996182539658031
Energy: 1.2260801721091186
Energy: 1.1912451115295204
Energy: 1.1998001270219867
Energy: 1.2078961506739359
Energy: 1.0753680783524164
Energy: 1.20000657628296
Energy: 1.22531712573792
Energy: 0.9628986604266029
Energy: 1.2383450928492024
Energy: 1.2003878761231503
Energy: 1.2430260488842215
Energy: 1.2404516308621647
Energy: 1.2357213124745425
Energy: 0.963994186841249
Energy: 1.2408278235660084
Energy: 1.238191871528038
Energy: 1.2377311564880422
Energy: 1.2391936859694563
Energy: 1.2104835764829056
Energy: 1.192419445608925
Energy: 1.23935014815541
Energy: 1.2408354010229758
Energy: 1.1992902360556985
Energy: 1.2419449945937104
Energy: 1.2288385043207788
Energy: 0.9641408164847758
Energy: 1.2008589595562968
Energy: 1.2398690402459072
Energy: 1.228023216248334
Energy: 1.2415348399532926
Energy: 1.1998062455647127
Energy: 1.081082891708339
Energy: 1.1988408318814334
Energy: 1.2018549016432458
Energy: 1.2008944437416915
Energy: 1.198710709761376
Energy: 1.135471649782564
Energy: 1.0820295626653682
Energy: 1.2024774538356895
Energy: 1.1991696060070085
Energy: 1.2019939065827885
Energy: 1.1993603380523847
Energy: 1.1487294236000338
Energy: 1.0824369063160213
Energy: 1.137150089632976
Energy: 1.2437041740560335
Energy: 1.227065530072178
Energy: 1.1985785384082075
Energy: 1.1391541996280006
Energy: 1.0786769675925665
Energy: 1.0730176134569454
Energy: 1.1406711759796235
Energy: 1.2362694403480097
Energy: 1.0731352063454687
Energy: 1.0732889383817101
Energy: 0.9832402509750384
Energy: 0.9841010454167848
Energy: 1.2017804584772127
Energy: 1.1996221209676323
Energy: 1.0725784319042277
Energy: 0.9833696323222048
Energy: 0.9850583082267075
Energy: 1.0733265709628639
Energy: 1.2429163709843583
Energy: 1.2264295824190938
Energy: 0.9838494572213318
Energy: 1.0735475146990308
Energy: 0.9845437334451825
Energy: 1.0739686276510092
Energy: 1.2006050861435873
Energy: 1.2273115053647212
Energy: 0.9841427377208165
Energy: 0.984445999456762
Energy: 0.9830021723750848
Energy: 0.9846701033808737
Energy: 1.162509214630791
Energy: 1.2285931613110346
Energy: 1.0750623835571786
Energy: 0.9837993766491574
Energy: 1.0796862407425398
Energy: 1.073568739070584
Energy: 1.1986212767568263
Energy: 1.2450494253704036
Energy: 1.072829580574972
Energy: 0.9843492939191434
Energy: 1.0825835553362861
Energy: 1.1994570878030772
Energy: 1.2450961692390774
Energy: 1.2274988398511466
Energy: 1.1988517132582162
Energy: 0.9831700843852037
Energy: 1.0812259054704905
Energy: 1.2017057746644533
Energy: 1.1990562304691472
Energy: 1.2251087657533613
Energy: 1.1991566969820888
Energy: 1.2023760006336914
Energy: 1.0806363679797015
Energy: 1.1990016945334148
Energy: 1.2247081496778491
Energy: 1.22746593056477
Energy: 1.1989284314644992
Energy: 1.1351614242696064
Energy: 1.1985809389515751
Energy: 1.2005082535147342
Energy: 1.2401934777537849
Energy: 1.2315900360485874
Energy: 1.2413630945777632
Energy: 1.1996306727161163
Energy: 1.0795334432951733
Energy: 1.237924216797166
Energy: 1.2408522858400164
Energy: 1.1989337261181097
Energy: 1.2422193006434514
Energy: 1.2359673010091619
Energy: 1.07979986990937
Energy: 1.2410220640809395
Energy: 1.2367219300305037
Energy: 1.246185789564818
Energy: 1.2392776273720258
Energy: 1.2407775824326377
Energy: 0.9643668150249978
Energy: 1.2378249197120432
Energy: 1.1994354037503447
Energy: 1.2440669560666509
Energy: 1.2403034980777512
Energy: 1.2355870335913983
Energy: 1.0770532878090984
Energy: 1.1994430566167273
Energy: 1.200153886112653
Energy: 1.1874937890591535
Energy: 1.2000697510752099
Energy: 1.1991061089896196
Energy: 1.076676750548699
Energy: 1.2015745437024508
Energy: 1.1377319465029845
Energy: 0.9838302209392644
Energy: 1.1997212682238827
Energy: 1.2012245755232953
Energy: 0.9640135348196454
Energy: 1.2008102359096011
Energy: 1.151544745110235
Energy: 0.9835805041365646
Energy: 1.2007231876402158
Energy: 1.2428112320276476
Energy: 0.961722543995339
Energy: 1.216206296113978
Energy: 1.0729086682303197
Energy: 1.0812915053252687
Energy: 1.0728546367329832
Energy: 1.239532387369248
Energy: 1.075081209068753
Energy: 0.9840334025418158
Energy: 0.9628063949927735
Energy: 0.9633493115126722
Energy: 0.9854619781965173
Energy: 1.0675768841005406
Energy: 0.9618625434712201
Energy: 0.9854747345091079
Energy: 1.0726812896585738
Energy: 0.9833462193237675
Energy: 1.072486643417091
Energy: 1.238594876444665
Energy: 0.9643529049261808
Energy: 1.1995063803895245
Energy: 0.9853551187364497
Energy: 0.9842787016069808
Energy: 1.1784624018493706
Energy: 1.244245225410523
Energy: 1.1893180924393945
Energy: 1.073775701795572
Energy: 0.9862099946312003
Energy: 0.9852226110938396
Energy: 1.0755976467974744
Energy: 1.1596089002444592

minimum gb energy = 0.961722543995339 eV
minimum distance =  2.20413012677636 Angstroms
sigma value = 33


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

Energy: 1.7453143533520057
Energy: 0.864064326386303
Energy: 0.9231832939910484
Energy: 0.9250908203669188
Energy: 0.8650873904532022
Energy: 0.8756178964963359
Energy: 1.593229763528269
Energy: 0.9917623473177253
Energy: 0.9330878800703105
Energy: 0.9366427732814946
Energy: 0.9325896256176799
Energy: 1.0438527990560627
Energy: 1.637975886657806
Energy: 1.0814024517891676
Energy: 1.0453808559144653
Energy: 0.8654765490791064
Energy: 0.9877457622365141
Energy: 1.0867704957802315
Energy: 1.6243875147193103
Energy: 0.9909013630739969
Energy: 0.9829281991681482
Energy: 0.8656911207592934
Energy: 0.9865859492079601
Energy: 1.0738453814789473
Energy: 1.6246265543055485
Energy: 1.0438547088291008
Energy: 0.9870038978168707
Energy: 1.0607371581714908
Energy: 1.0444765775399854
Energy: 1.0725660101223922
Energy: 1.6373028448184597
Energy: 1.0864327010270163
Energy: 0.9933967695238779
Energy: 1.0606679330173774
Energy: 1.0902533373574714
Energy: 1.0929124232812129
Energy: 1.4659736183105143
Energy: 1.0844009136678754
Energy: 1.0850119361388066
Energy: 1.0870592248281943
Energy: 1.0844328956734144
Energy: 1.0890288023128378
Energy: 1.3311945647408223
Energy: 1.0876401824051698
Energy: 0.9815786997989915
Energy: 0.9918149739961657
Energy: 1.0604890473953625
Energy: 1.0908963171790047
Energy: 1.4650710570731957
Energy: 1.0990129278288683
Energy: 1.0864829972365981
Energy: 1.0847253136994852
Energy: 1.0863342510624172
Energy: 1.0968270855397215
Energy: 1.4832425542532832
Energy: 1.0948264422574092
Energy: 1.093887503321863
Energy: 1.0948749178794979
Energy: 1.0947938780102988
Energy: 1.094629590629061
Energy: 1.3355490947780513
Energy: 1.0938105193078045
Energy: 1.094494091187653
Energy: 1.0894657858609902
Energy: 1.094554387840618
Energy: 1.093551127733487
Energy: 1.33459927471735
Energy: 1.094372416920033
Energy: 1.093342286181554
Energy: 1.0931595356288633
Energy: 1.094241361750199
Energy: 1.0955828206761349
Energy: 1.4905032023282483
Energy: 1.0855098504835603
Energy: 1.0853364522463056
Energy: 1.0971993139880964
Energy: 1.0847617530873468
Energy: 1.0856657199055586
Energy: 1.1790224637792086
Energy: 1.0891277558430112
Energy: 1.0865617229377926
Energy: 1.0940559533871113
Energy: 1.0864281429274434
Energy: 0.9936644175349671
Energy: 1.019726186201012
Energy: 1.0848174088992295
Energy: 1.0953998471840594
Energy: 1.0945819649406403
Energy: 1.0844875219447134
Energy: 1.0852097571744619
Energy: 1.1789729429362819
Energy: 1.0439279568423603
Energy: 1.0891400557062647
Energy: 1.0941809844729284
Energy: 0.9973025707769398
Energy: 1.0428019136477416
Energy: 0.9392081207001207
Energy: 0.9831287485053888
Energy: 1.0857917655407416
Energy: 1.0851616215246247
Energy: 0.9873537220195585
Energy: 0.8645502430339365
Energy: 0.9382229722322638
Energy: 1.0445504589730565
Energy: 1.0426332396160116
Energy: 1.098388332451341
Energy: 1.0427972200340176
Energy: 0.9866859875421163
Energy: 0.938801604207382
Energy: 0.9812144262942811
Energy: 1.0937828373056753
Energy: 1.0931956125674158
Energy: 0.9851507364833963
Energy: 0.865997073709621
Energy: 0.938143900276947
Energy: 0.9329916264160782
Energy: 0.8669059932145609
Energy: 1.1048365047556459
Energy: 0.9335524094512154
Energy: 0.8666398251580069
Energy: 0.8617673962923068
Energy: 0.8677678832945173
Energy: 0.9856377358088003
Energy: 1.0868573952814333
Energy: 0.8654856879018978
Energy: 0.8635754271396329
Energy: 0.865799280550649
Energy: 0.9331544352033248
Energy: 1.081773048259218
Energy: 1.0927127938569892
Energy: 0.8633922356669474
Energy: 0.9337868915167458
Energy: 0.8662051318771935
Energy: 0.9328771651420694
Energy: 0.9911625552066868
Energy: 1.0953222451236444
Energy: 1.0444003317237256
Energy: 0.8664701255688209
Energy: 0.8628030017087976
Energy: 0.8636979282505904
Energy: 1.0771328594535916
Energy: 1.0747729142164384
Energy: 0.8660107281283578
Energy: 0.8638126755278377
Energy: 0.9353858829174182
Energy: 0.9333721473441013
Energy: 0.992073884994402
Energy: 1.0954326645975934
Energy: 0.9326972793157985
Energy: 0.936906971327912
Energy: 0.9374408594902626
Energy: 0.9856660867593906
Energy: 1.081982955306256
Energy: 1.0934320446301347
Energy: 0.9894304466585184
Energy: 0.865652439515332
Energy: 0.9372518534261985
Energy: 1.0456723251579845
Energy: 1.0435915883383204
Energy: 1.1001132742281858
Energy: 1.043970390795449
Energy: 0.9833771579132433
Energy: 1.1802153007365752
Energy: 0.9856419867757583
Energy: 1.0750680520593794
Energy: 1.0953775455179104
Energy: 0.9874672415636568
Energy: 0.982930889790069
Energy: 1.1807877414862697
Energy: 0.9910458391371658
Energy: 1.0875112928495367
Energy: 1.0933226843586745
Energy: 1.0881837657620144
Energy: 0.9909916650872913
Energy: 1.1788315027257494
Energy: 1.0910642893231561
Energy: 1.0867116915241366
Energy: 1.0958618440708006
Energy: 1.09111303185208
Energy: 1.0845028208545548
Energy: 1.179063339882847
Energy: 1.0906048880045272
Energy: 1.0915103356012856
Energy: 1.0914732338284512
Energy: 1.0883392092394424
Energy: 0.990190792004089
Energy: 1.419870159246099
Energy: 1.0845413243599127
Energy: 1.0979419667389894
Energy: 1.0965523010311302
Energy: 1.085053983259172
Energy: 1.0846717646549893
Energy: 1.4751284730465226
Energy: 1.0941249766085073
Energy: 1.0936430520181866
Energy: 1.0941962945206782
Energy: 1.094115361769239
Energy: 1.093785971707072
Energy: 1.4749494196912654
Energy: 1.093995551057579
Energy: 1.0937991499302886
Energy: 1.0764962292018925
Energy: 1.0944723457071623
Energy: 1.0939764312346052
Energy: 1.421014500802884
Energy: 1.0942132305591992
Energy: 1.0938353856529628
Energy: 1.0735477534182334
Energy: 1.0947138214944556
Energy: 1.0937234183484934
Energy: 1.4654327983701896
Energy: 1.0869095128306636
Energy: 1.0852690305190007
Energy: 1.0851446414925483
Energy: 1.0849906263963696
Energy: 1.099015336628771
Energy: 1.4810495376537323
Energy: 1.0880135612551225
Energy: 0.993405817135207
Energy: 0.9912849823432274
Energy: 1.0921231357802494
Energy: 1.0938703433359642
Energy: 1.4650098372885612
Energy: 1.0895370325472935
Energy: 1.0910288234576648
Energy: 1.0756398508387692
Energy: 1.09047560341774
Energy: 1.0998048554621147
Energy: 1.464767294321561
Energy: 1.087954319979233
Energy: 0.9903975487827263
Energy: 1.0602727834561176
Energy: 0.9910100850462163
Energy: 1.0867379594975077
Energy: 1.6205867162242575
Energy: 1.044423428715151
Energy: 0.9846048712879196
Energy: 0.9387089773493776
Energy: 0.9857131058830677
Energy: 1.0846895160754235
Energy: 1.6204806143241024
Energy: 1.0433981388386877
Energy: 0.9851346691557185
Energy: 0.8642248639704302
Energy: 1.0448747950941704
Energy: 1.0430716079438094
Energy: 1.601748733985649
Energy: 1.0813117360552473
Energy: 0.98248370434786
Energy: 0.8663748005570877
Energy: 0.9857852663796148
Energy: 1.0864750383473618
Energy: 1.6272875427748767
Energy: 0.8681151299789153
Energy: 0.9330304003888921
Energy: 0.9372315127335793
Energy: 0.933078886053898
Energy: 0.9909225624906587
Energy: 1.4765771466329511
Energy: 0.8647255634310981
Energy: 0.8637869742745833
Energy: 0.8627972386018077
Energy: 0.8668504436653287
Energy: 1.0868407578078298
Energy: 1.4655427511063215
Energy: 1.0439030105352856
Energy: 0.9326875018291675
Energy: 0.8673601000588137
Energy: 0.9325255947457732
Energy: 1.0819159168408508
Energy: 1.4653151650687948
Energy: 1.0436404814666664
Energy: 0.933611029775299
Energy: 0.8667213071866636
Energy: 0.934152370063499
Energy: 1.081751102915345
Energy: 1.628429223501899
Energy: 0.8655400500167016
Energy: 0.8634791925364864
Energy: 0.8620166056908185
Energy: 0.8668697893117532
Energy: 1.076385947211624

minimum gb energy = 0.8617673962923068 eV
minimum distance =  2.247568923438 Angstroms
sigma value = 67


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

Energy: 0.25494670957537774
Energy: 0.4933959675083881
Energy: 0.40451004847959826
Energy: 0.40548489976060526
Energy: 0.4928014040873212
Energy: 0.2552178348041642
Energy: 1.4002274716846863
Energy: 0.401494839481678
Energy: 0.4024240617649736
Energy: 0.4032556115001138
Energy: 0.4009857670975058
Energy: 0.4018119841141896
Energy: 1.4004129422827016
Energy: 0.4051213408511842
Energy: 0.40561360383949396
Energy: 0.4093855153450594
Energy: 0.4045807113249818
Energy: 0.40499519998110434
Energy: 0.2605351170401713
Energy: 0.4077250472857542
Energy: 0.4070727736087781
Energy: 0.40605638086252227
Energy: 0.40658188030730186
Energy: 0.2598187125267046
Energy: 0.2614168288312536
Energy: 0.4087797139939092
Energy: 0.40923461827315993
Energy: 0.40979720825851945
Energy: 0.4079745749075501
Energy: 0.2612357452999051
Energy: 1.4008985037526993
Energy: 0.4059931774074756
Energy: 0.4052783501638384
Energy: 0.40494496667518004
Energy: 0.40493591356963043
Energy: 0.4060778488231772
Energy: 0.25742340803546265
Energy: 0.4027435536202006
Energy: 0.403522195704464
Energy: 0.40872472472402804
Energy: 0.4024425839331491
Energy: 0.40284748629378225

minimum gb energy = 0.25494670957537774 eV
minimum distance =  2.43519101794752 Angstroms
sigma value = 3


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

Energy: 1.6471640565834302
Energy: 0.8424115047459685
Energy: 0.8401220177822716
Energy: 0.9743893589394803
Energy: 1.054157257968761
Energy: 1.068535485064517
Energy: 1.3229780664326256
Energy: 0.9576234406987489
Energy: 0.8389656057385609
Energy: 0.838760047213084
Energy: 0.8388692802013419
Energy: 0.9601168606398696
Energy: 1.2942136570740033
Energy: 0.8392805984891318
Energy: 0.8391219763800201
Energy: 0.8386905265185667
Energy: 0.8382533305362112
Energy: 0.8415671752076268
Energy: 1.4570360854630153
Energy: 0.8398240014435118
Energy: 0.8394731861947118
Energy: 0.8404479990077638
Energy: 0.8396230757918691
Energy: 1.0368087147711171
Energy: 1.4564697020206254
Energy: 0.8404208722956332
Energy: 0.8391145377305746
Energy: 0.8398463444011465
Energy: 0.8388584127281234
Energy: 1.036311040318936
Energy: 1.2984480731264358
Energy: 0.8401810821993055
Energy: 0.8387773460230623
Energy: 0.8413477163317328
Energy: 0.8415083545810574
Energy: 1.0667080186873164
Energy: 1.7749920602912568
Energy: 0.9590234711188887
Energy: 0.8397515045152797
Energy: 0.8413373546376841
Energy: 0.9251892624962079
Energy: 0.9591636059134757
Energy: 1.2947631103380077
Energy: 0.9618258411241783
Energy: 1.0422838529267429
Energy: 0.9547989293102794
Energy: 1.039060649940428
Energy: 1.089838382156226
Energy: 1.322263320916356
Energy: 0.8393505530148918
Energy: 0.8392272792980637
Energy: 0.8417430179179376
Energy: 0.8394713793544989
Energy: 0.9261731602346219
Energy: 1.2952490727781576
Energy: 1.0792026468144889
Energy: 1.0388909241281201
Energy: 0.8489363404925422
Energy: 1.0376999781436829
Energy: 1.0577327453713905
Energy: 1.323140066068742
Energy: 1.0775275146121956
Energy: 1.0797991464454717
Energy: 1.0586054993371243
Energy: 1.0779042136441985
Energy: 1.0778752246656247
Energy: 1.3216378372524193
Energy: 1.0768651574614794
Energy: 1.077616835126469
Energy: 0.9636103570700673
Energy: 1.0781038657476616
Energy: 1.0764778502704206
Energy: 1.293666974950571
Energy: 1.0770693326760747
Energy: 1.0792786920002935
Energy: 1.0168931643472556
Energy: 1.0796337831295053
Energy: 1.0959028625505955
Energy: 1.322622457975266
Energy: 1.0894694897055417
Energy: 1.077755437444507
Energy: 1.0784220085194942
Energy: 1.0931231213693826
Energy: 1.0881557483878606
Energy: 1.292677052129115
Energy: 1.0914056834205599
Energy: 1.0898759591789227
Energy: 1.0771516619507846
Energy: 1.0903573158985675
Energy: 1.0902366620000807
Energy: 1.324543439756177
Energy: 1.0967035096781725
Energy: 1.0901438316745642
Energy: 1.0701409466517222
Energy: 1.0958063543997163
Energy: 1.0910657000864736
Energy: 1.433517860390891
Energy: 1.0848905741007908
Energy: 1.088503573410181
Energy: 1.0877662590059396
Energy: 1.090633718935056
Energy: 1.0781745428534515
Energy: 1.293226923853432
Energy: 1.0797534476302237
Energy: 1.0769338212887702
Energy: 1.0991662353865181
Energy: 1.0779970499607192
Energy: 1.0600054039042175
Energy: 1.295054534499101
Energy: 1.0765520491471523
Energy: 1.076590280997408
Energy: 1.093528109389285
Energy: 1.0769263044104562
Energy: 1.0795199822823105
Energy: 1.1673426426588522
Energy: 1.0758558999493066
Energy: 1.0769890282928618
Energy: 1.093852959319818
Energy: 1.0771069726424967
Energy: 0.9627606995929459
Energy: 1.1638597728209015
Energy: 1.037547689477259
Energy: 1.0578445487194659
Energy: 1.1124204349934146
Energy: 1.0380539359834682
Energy: 1.0379182007313223
Energy: 1.1631730445859854
Energy: 0.8402749311998083
Energy: 0.8418403329701537
Energy: 1.086333503280638
Energy: 0.8418843623481514
Energy: 0.8395765751376888
Energy: 0.9532206676071967
Energy: 1.0383652688632288
Energy: 1.065779275448202
Energy: 1.087265488285342
Energy: 1.0390914310180612
Energy: 0.9665794684156097
Energy: 0.9337736313646641
Energy: 0.8402532076817644
Energy: 0.8426587258248355
Energy: 1.085022054053247
Energy: 0.9577487748976623
Energy: 0.8400559267331649
Energy: 0.9582865457600789
Energy: 0.840970723487353
Energy: 0.8407640288410919
Energy: 1.0876709622023748
Energy: 0.841286893010665
Energy: 0.8398074807428563
Energy: 0.9373566864087999
Energy: 0.8390257268193977
Energy: 0.8469926253983675
Energy: 1.0632558031512267
Energy: 0.8395674202202685
Energy: 0.8389073110665439
Energy: 0.8390292873444246
Energy: 0.8394305622935959
Energy: 0.8442436003017569
Energy: 1.0622352103233095
Energy: 0.8391847530760101
Energy: 0.8397176292593564
Energy: 0.8382182061932246
Energy: 0.8408815438374235
Energy: 0.8395861384097633
Energy: 1.0880681794596372
Energy: 0.8399266446250353
Energy: 0.8389855258039809
Energy: 0.8387265724820717
Energy: 0.8390194826166372
Energy: 0.958589373647251
Energy: 1.0564243631148122
Energy: 0.8403303071770735
Energy: 0.8387597952662154
Energy: 0.8428782241120363
Energy: 0.9230477416495494
Energy: 1.0390933076912472
Energy: 1.0906317991272312
Energy: 0.9229651693832084
Energy: 0.9240821821668196
Energy: 0.9529814367630163
Energy: 0.8397566553147089
Energy: 0.8418292922352638
Energy: 1.0784226975772455
Energy: 0.8408343429272129
Energy: 0.8397781408162095
Energy: 0.9362194199742305
Energy: 0.9225053393189572
Energy: 0.8403562453228102
Energy: 1.1122848355807708
Energy: 0.924231071036485
Energy: 0.8394339099448503
Energy: 0.9418220941705703
Energy: 0.9607233663565055
Energy: 0.9615100091200078
Energy: 1.0853423801201134
Energy: 0.9615867614977351
Energy: 0.8486568756571741
Energy: 1.1645694010507908
Energy: 0.9605513817494293
Energy: 0.9620609682467799
Energy: 1.0754994469989396
Energy: 0.9605263204080929
Energy: 1.0383862839867066
Energy: 1.165032227345014
Energy: 0.9609349853112835
Energy: 1.0383847359934197
Energy: 1.0910468711042929
Energy: 0.9598557664470857
Energy: 0.8400876533557974
Energy: 1.1641129592756343
Energy: 1.0394896334204293
Energy: 1.076853175292641
Energy: 1.0568257075796739
Energy: 1.0770474613745769
Energy: 1.0460467119786654
Energy: 1.1623197937730252
Energy: 1.0799322940990088
Energy: 1.0790581741171084
Energy: 1.0781625768095588
Energy: 1.0785610891375512
Energy: 1.0781707774005376
Energy: 1.2939335948227908
Energy: 1.0828561001059795
Energy: 1.0585406726089894
Energy: 1.0864393239023562
Energy: 1.079919841609158
Energy: 1.0453975692260655
Energy: 1.2979445101477098
Energy: 1.0781719905274085
Energy: 1.0900796922745262
Energy: 1.0903001183860381
Energy: 1.096532437093224
Energy: 1.0797873297764315
Energy: 1.293211780227288
Energy: 1.0889535027027128
Energy: 1.0904164687327562
Energy: 0.9644808022624091
Energy: 1.0921315627155832
Energy: 1.0880943364272575
Energy: 1.2884588379698247
Energy: 1.0893592852875922
Energy: 1.088242257571807
Energy: 1.0914090447487774
Energy: 1.0892984238236074
Energy: 1.0882995780848501
Energy: 1.288816026551258
Energy: 1.0902921148624032
Energy: 1.0889492084226744
Energy: 1.0811294961005409
Energy: 1.0908669982707624
Energy: 1.0885759006494282
Energy: 1.2980893789202461
Energy: 1.0920555041416178
Energy: 1.0778508552008599
Energy: 1.0381760999737917
Energy: 1.0776960297023268
Energy: 1.0918878164705637
Energy: 1.4872209548041708
Energy: 1.0786202247992385
Energy: 1.0807307317118076
Energy: 0.9651014345129142
Energy: 1.0812358239629625
Energy: 1.0579771415114287
Energy: 1.376652275374512
Energy: 1.0790904225409412
Energy: 1.084432777165834
Energy: 1.0601304701564924
Energy: 1.0847039898591553
Energy: 1.0884537595946189
Energy: 1.4845584525634843
Energy: 1.077590898145961
Energy: 1.0433399252756281
Energy: 0.8476495230230703
Energy: 1.039068198075718
Energy: 1.0777751505696551
Energy: 1.2940816876671302
Energy: 0.8407736606865847
Energy: 0.8394032514872188
Energy: 0.9262760925703717
Energy: 0.8403589234252445
Energy: 1.0644108358536915
Energy: 1.3499639983608371
Energy: 0.9611096839484583
Energy: 1.0389003175570604
Energy: 0.940910907349981
Energy: 1.0373722537240386
Energy: 1.063091602215918
Energy: 1.3529650539232272
Energy: 0.960884374297072
Energy: 0.9330374601022939
Energy: 0.939717081570883
Energy: 0.9595976898541555
Energy: 1.0622787820380837
Energy: 1.293304104714453
Energy: 0.841860394817214
Energy: 0.8390736427132671
Energy: 0.8403177869012359
Energy: 0.8391552214408773
Energy: 0.8402023022967723
Energy: 1.9221934398030365
Energy: 0.9578161108446455
Energy: 0.8387949208552321
Energy: 0.8413131338181893
Energy: 0.8411577900759892
Energy: 0.9596922527903665

minimum gb energy = 0.8382182061932246 eV
minimum distance =  2.27530745623631 Angstroms
sigma value = 81


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

Energy: 1.2201057372970752
Energy: 0.937427429750601
Energy: 0.9304635372518552
Energy: 1.0802522975363593
Energy: 0.9319310081923046
Energy: 1.234542297266539
Energy: 1.2395751813587355
Energy: 0.9327998803739028
Energy: 0.9269431588293884
Energy: 0.9277693720354534
Energy: 0.9268971803066963
Energy: 0.9327613543219357
Energy: 1.219822097568296
Energy: 0.9278552661982165
Energy: 0.9280143011696054
Energy: 0.9284331163322835
Energy: 0.9280254768761544
Energy: 0.9291780256591724
Energy: 1.2388984554767566
Energy: 0.9306453284780312
Energy: 0.9287543305722743
Energy: 0.9300510180293864
Energy: 0.9289927767555307
Energy: 1.1960603915599266
Energy: 1.239138079062459
Energy: 0.9301959030002279
Energy: 0.9291612809374153
Energy: 0.9300429899026447
Energy: 0.9292750824985376
Energy: 0.9302554124714193
Energy: 1.2196454684404
Energy: 0.9270601791207205
Energy: 0.9266492048044718
Energy: 0.926575308064237
Energy: 0.927613454210076
Energy: 0.9267816387767075
Energy: 1.2399112824712382
Energy: 0.9315239148395925
Energy: 0.931013892482768
Energy: 0.9331719113333731
Energy: 0.9318910260006483
Energy: 0.9323985579511016
Energy: 1.2393695983759594
Energy: 0.9334487824775499
Energy: 1.2093412758874236
Energy: 1.07069578727282
Energy: 0.931711570671639
Energy: 0.9297009217448579
Energy: 1.2391832364503579
Energy: 0.9297927790035956
Energy: 0.9307287709608099
Energy: 0.9228398921686889
Energy: 0.9319664119780086
Energy: 0.9319229138349884
Energy: 1.2204902014940815
Energy: 1.2322045964249935
Energy: 1.1969028776670703
Energy: 0.931235281039213
Energy: 1.1969694556021038
Energy: 1.23117321467341
Energy: 1.2177863620417904
Energy: 1.2300027567447507
Energy: 1.2170084303013946
Energy: 1.2425075439141022
Energy: 1.2294081063233464
Energy: 1.2172762003630548
Energy: 1.239457404488523
Energy: 1.229347423664749
Energy: 1.2295540832313618
Energy: 0.923143152008654
Energy: 1.2301500509902852
Energy: 1.2176905660993673
Energy: 1.2191643135904289
Energy: 1.2290054251804505
Energy: 1.2174754400334196
Energy: 0.9275326726625858
Energy: 1.2317495488743642
Energy: 0.9319499937170905
Energy: 1.2203887143304712
Energy: 1.1985613151436705
Energy: 1.231788841864032
Energy: 1.266498295825793
Energy: 1.2299403431860008
Energy: 1.0958875338846916
Energy: 1.2197229656914834
Energy: 0.9308619206447898
Energy: 0.9297285078697655
Energy: 1.2644258964743296
Energy: 0.9298833112391187
Energy: 0.9303101320298418
Energy: 1.0701618682399308
Energy: 0.9311314383005489
Energy: 1.225691691839855
Energy: 0.9349655793277496
Energy: 0.933384676186374
Energy: 0.9280363515009182
Energy: 1.0695824767102011
Energy: 0.931587883897273
Energy: 0.9310873374241871
Energy: 1.2612888244040963
Energy: 0.9318692053526696
Energy: 0.9314015204266403
Energy: 1.0728448439429346
Energy: 0.9266865280331739
Energy: 0.9268807870122638
Energy: 1.2412554277300265
Energy: 0.927456785416918
Energy: 0.9264051827025657
Energy: 1.07343919882584
Energy: 0.929248376194585
Energy: 0.9309039152819486
Energy: 1.224494138267558
Energy: 0.9299692138598387
Energy: 0.9283435650086265
Energy: 0.9286501575672171
Energy: 0.9291074849563496
Energy: 0.9324288486491454
Energy: 1.2231517156319458
Energy: 0.9311696183939923
Energy: 0.9287324784827556
Energy: 0.9278310390449356
Energy: 0.9344257732873725
Energy: 0.9274697100761967
Energy: 1.0981481082513607
Energy: 0.9300094165863787
Energy: 0.9281165544165814
Energy: 0.9270952588045416
Energy: 0.9272846397803948
Energy: 0.9311622224966252
Energy: 1.2298595156833019
Energy: 0.9281446532777078
Energy: 0.9270584098107886
Energy: 0.9372381966531176
Energy: 0.9365389059055473
Energy: 1.2071291638173234
Energy: 1.1965294358516965
Energy: 0.9368560010079219
Energy: 0.9362958603475665
Energy: 1.0707243303641638
Energy: 0.9278318687264996
Energy: 0.9294980816167223
Energy: 1.215792361688242
Energy: 0.9284141829287748
Energy: 0.9264526023127038
Energy: 1.0707879908318225
Energy: 0.9294748173323835
Energy: 0.9288291643293661
Energy: 1.2608314884721221
Energy: 0.9306768997239755
Energy: 0.929718897843746
Energy: 1.0775168167463425
Energy: 1.0976959952598535
Energy: 0.9339917478698218
Energy: 0.9290695119885718
Energy: 1.1979906197020374
Energy: 0.932587795543887
Energy: 1.2207732545617342
Energy: 1.1969107496273221
Energy: 0.9342950876540947
Energy: 1.096927680677254
Energy: 0.9318068565414838
Energy: 0.9341319473407602
Energy: 1.213840660229567
Energy: 0.9332103592577561
Energy: 1.0986443541403301
Energy: 1.2591099662390246
Energy: 0.9309060026030612
Energy: 0.9309402109516265
Energy: 1.2209573166619594
Energy: 0.9322436231247189
Energy: 1.2289185090540122
Energy: 1.216768738903775
Energy: 1.229165508286409
Energy: 1.0933346387583014
Energy: 1.2394342628449861
Energy: 1.2413990485773225
Energy: 1.2169098226892423
Energy: 0.9292103699468989
Energy: 1.2293301447544691
Energy: 1.2308956901129127
Energy: 1.2116106533057305
Energy: 1.2340978796954345
Energy: 1.2304352741441
Energy: 1.2430505538218275
Energy: 1.230349745455329
Energy: 0.9327103375252407
Energy: 1.2397702546974863
Energy: 1.2286011553794036
Energy: 0.930513060970101
Energy: 0.9324381464472582
Energy: 0.9313338271111989
Energy: 1.2293993399972747
Energy: 1.2192852176057458
Energy: 1.0965743924437605
Energy: 0.9313628672520506
Energy: 0.9323104731878392
Energy: 0.9316711762499322
Energy: 1.235682525577161
Energy: 1.212291540716966
Energy: 1.1962348260562117
Energy: 1.1959517361527041
Energy: 0.9304946202183512
Energy: 0.9316945383635884
Energy: 1.2230396651644375
Energy: 1.2135110197277537
Energy: 1.1985250891518509
Energy: 0.9342973952217675
Energy: 1.077550510748114
Energy: 1.0978998256778603
Energy: 1.2335271323000239
Energy: 1.2217813928591446
Energy: 0.9291943946180984
Energy: 0.9300992010912927
Energy: 0.930059653738605
Energy: 0.9300339550983612
Energy: 0.9294297916653816
Energy: 1.2391593614640444
Energy: 0.9288268305826362
Energy: 0.9267895112121581
Energy: 0.9267680635948795
Energy: 0.9282174046462505
Energy: 0.9311018107646529
Energy: 1.211397384102658
Energy: 0.9325398612934831
Energy: 0.9294084110391517
Energy: 0.9385772682918334
Energy: 0.9315124958886738
Energy: 1.2227918838502687

minimum gb energy = 0.9228398921686889 eV
minimum distance =  2.28770368273968 Angstroms
sigma value = 43


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

Energy: 1.3445555453221298
Energy: 1.0096580798620363
Energy: 1.005044227203731
Energy: 1.0033059575542682
Energy: 1.0152904738694144
Energy: 1.319286853592161
Energy: 1.4045980195478946
Energy: 1.0062930635424912
Energy: 1.0006321390886692
Energy: 1.000758853797103
Energy: 1.0006567570730895
Energy: 1.1989186515218193
Energy: 1.4030984424553878
Energy: 1.0021332918293644
Energy: 1.0026893062777924
Energy: 1.003632954557977
Energy: 1.0026403136414237
Energy: 1.0027325623350387
Energy: 1.270879667535758
Energy: 1.0030826583744357
Energy: 1.0033855465907764
Energy: 1.0037576933725425
Energy: 1.0036534483387918
Energy: 0.9897381365313549
Energy: 1.2703319394872463
Energy: 1.0025473876103645
Energy: 1.0025522976691437
Energy: 1.0029708554066097
Energy: 1.0037879013571043
Energy: 0.9914682498654499
Energy: 1.4025869959558035
Energy: 1.001033330331083
Energy: 1.00098250769821
Energy: 1.0007915993468883
Energy: 1.001367907626208
Energy: 1.377701210139497
Energy: 1.4044265289734361
Energy: 1.1985063081069192
Energy: 1.0037456366549211
Energy: 0.9818249488366374
Energy: 1.0038212895756078
Energy: 1.2006805505244047
Energy: 1.5159252910548795
Energy: 1.3201545181173235
Energy: 1.214608628841797
Energy: 0.9802088548521808
Energy: 1.3270296012989193
Energy: 1.3228842316096836
Energy: 1.4038816475552278
Energy: 1.0032098051619012
Energy: 1.0040236752984715
Energy: 0.9883578846208367
Energy: 1.1990988634078747
Energy: 1.1847705981210963
Energy: 1.4042143731086005
Energy: 1.276439155356167
Energy: 1.3158968843064272
Energy: 1.2229093352343487
Energy: 1.3157003258089766
Energy: 1.2770772485122268
Energy: 1.403388566091688
Energy: 0.9937893107716309
Energy: 1.3250033304018576
Energy: 1.181933103748643
Energy: 1.2761515588154975
Energy: 0.9979503958786803
Energy: 1.4037462973478803
Energy: 1.277479963661424
Energy: 1.2823653958992196
Energy: 1.3207193311677867
Energy: 1.2769155308510614
Energy: 0.9977645912833848
Energy: 1.2746964549449311
Energy: 0.993657224695973
Energy: 1.321182651869809
Energy: 0.9885250122915118
Energy: 1.2791710655244934
Energy: 0.9937971228161369
Energy: 1.2734250711693367
Energy: 0.9879115017691339
Energy: 1.3299352578188166
Energy: 1.3420615736054744
Energy: 0.9967049418858015
Energy: 0.9798684390889192
Energy: 1.2877271348690429
Energy: 0.981336534204607
Energy: 0.9796309565547056
Energy: 0.980145062345205
Energy: 0.9798563764534899
Energy: 0.9810395112338033
Energy: 1.0801003478823228
Energy: 0.979960674193915
Energy: 0.9911866048209296
Energy: 0.9887466861754279
Energy: 0.9900229822854448
Energy: 1.0110821499770084
Energy: 1.0919323634005187
Energy: 0.9837369245759587
Energy: 0.9791925386829544
Energy: 1.312414976154492
Energy: 0.9866712801181657
Energy: 0.9815385422221379
Energy: 1.0905187741262277
Energy: 0.9816463869308665
Energy: 0.9912978884816309
Energy: 1.3420186468955912
Energy: 0.9827921183987144
Energy: 0.9833799679943975
Energy: 1.0856480987104236
Energy: 0.9809122015586125
Energy: 0.9805708785566776
Energy: 1.3478788439418128
Energy: 0.9803708600582273
Energy: 0.9806156391533496
Energy: 1.206284811142468
Energy: 0.9803213053881943
Energy: 0.9802016028028732
Energy: 1.3220660322566224
Energy: 0.9802200220982406
Energy: 0.9807390615720677
Energy: 1.207103380965878
Energy: 0.9950070092699411
Energy: 0.994655830825713
Energy: 1.2930757134267763
Energy: 0.993709968887481
Energy: 0.9947423450537076
Energy: 1.2056257735515779
Energy: 0.9800823516813113
Energy: 1.3180471116634167
Energy: 0.9914789013961229
Energy: 0.9809814901677513
Energy: 0.9809474573079268
Energy: 1.2054567082349539
Energy: 0.9800633653649794
Energy: 1.3347545409567485
Energy: 0.9919627642839044
Energy: 1.3345904685069374
Energy: 0.9804730273649108
Energy: 1.2782060393877248
Energy: 0.9798610189770031
Energy: 0.9803840209597956
Energy: 0.9881612103443355
Energy: 0.9800667339035583
Energy: 0.980163222227194
Energy: 1.4031804323639718
Energy: 1.3172795385154974
Energy: 1.0054653220087246
Energy: 0.9893232015962596
Energy: 1.319306966114724
Energy: 0.9796532178876769
Energy: 1.4032138664234852
Energy: 1.3253454048830249
Energy: 1.0066239776194852
Energy: 1.0056110644324727
Energy: 1.004017765103072
Energy: 1.318253120127698
Energy: 1.279656521791086
Energy: 1.0055066704848081
Energy: 1.007347596786663
Energy: 1.006620104098939
Energy: 1.3234071329889556
Energy: 1.283596949797053
Energy: 1.2794683929760557
Energy: 1.0070579955572705
Energy: 1.006068217959423
Energy: 1.1901349329731952
Energy: 1.0047350819529095
Energy: 0.9904368501436849
Energy: 1.4038028229470179
Energy: 1.0071659972212714
Energy: 1.0048882247506488
Energy: 1.0037697341428349
Energy: 1.0053697036374298
Energy: 1.3401451422657351
Energy: 1.4040820296607754
Energy: 1.0011246527498754
Energy: 1.0011654151788936
Energy: 1.0015822626080384
Energy: 1.0019615975674763
Energy: 1.0029093459564613
Energy: 1.2793734368556506
Energy: 1.004189000985234
Energy: 1.004320860209123
Energy: 1.0183744231193372
Energy: 1.0050096466216696
Energy: 0.9937223389332608

minimum gb energy = 0.9791925386829544 eV
minimum distance =  2.28858807543657 Angstroms
sigma value = 57


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

Energy: 1.8025862372942685
Energy: 1.06482251273446
Energy: 1.0614086707059436
Energy: 1.0642013489611806
Energy: 1.0829921303588075
Energy: 1.4407279713955126
Energy: 1.0623096538250334
Energy: 1.0618578596563633
Energy: 1.0609644031420795
Energy: 1.0611791258007879
Energy: 1.061150594690671
Energy: 1.2964763596967657
Energy: 1.0636450553957721
Energy: 1.2723745478450461
Energy: 1.0631228957349161
Energy: 1.068084400447262
Energy: 1.062593890060901
Energy: 1.4543217860381115
Energy: 1.0578042744182379
Energy: 1.062705329119398
Energy: 1.0654850012957797
Energy: 1.064302786821541
Energy: 1.0651333640686358
Energy: 1.06185016007419
Energy: 1.0576279270099065
Energy: 1.0623887768298899
Energy: 1.06323265253574
Energy: 1.0629974189387044
Energy: 1.0650841630728016
Energy: 1.0585216127020836
Energy: 1.079248527906491
Energy: 1.0714329281812063
Energy: 1.0625292121861027
Energy: 1.0612563575564542
Energy: 1.0629161842612747
Energy: 1.317025745613601
Energy: 1.0609261333855504
Energy: 1.4402015738872689
Energy: 1.0636292869531405
Energy: 1.0638426404156118
Energy: 1.0656620038258882
Energy: 1.2985752924596075
Energy: 1.059828055634948
Energy: 1.440077970281496
Energy: 1.3169269377495176
Energy: 1.063528213623485
Energy: 1.4547750116513671
Energy: 1.0641291426892203
Energy: 1.0628161454608827
Energy: 1.3174438888871427
Energy: 1.0598222988581014
Energy: 1.057916847168015
Energy: 1.4393768841865857
Energy: 1.2947271136488419
Energy: 1.0632981680162374
Energy: 1.065129888507049
Energy: 1.2950234219455812
Energy: 1.05662932056531
Energy: 1.4396731052413039
Energy: 1.0674324352057445
Energy: 1.0643314563515307
Energy: 1.0627466527062135
Energy: 1.456102978891693
Energy: 1.0623420836578654
Energy: 1.062799943115915
Energy: 1.0607235608818555
Energy: 1.0626818125053983
Energy: 1.0647077413652501
Energy: 1.0627667418184805
Energy: 1.0936666970127051
Energy: 1.0624003311617176
Energy: 1.0625397587877334
Energy: 1.0617207734376022
Energy: 1.066675257466782
Energy: 1.4571714134284435
Energy: 1.057205897435942
Energy: 1.0629422231102819
Energy: 1.0664619258278396
Energy: 1.0668510847898682
Energy: 1.067813260297222
Energy: 1.4311117738927515
Energy: 1.0619572671155748
Energy: 1.0624229158367127
Energy: 1.0677759101155322
Energy: 1.0609218499410136
Energy: 1.0608018561112276
Energy: 1.4316656622364883
Energy: 1.06263640007217
Energy: 1.0622062847680456
Energy: 1.0606350772354232
Energy: 1.0604346552002377
Energy: 1.0690543128647017
Energy: 1.0623465117260003
Energy: 1.0602971020426795
Energy: 1.062860349193609
Energy: 1.061763097080469
Energy: 1.0648406400495423
Energy: 1.0650986032889782
Energy: 1.0616511909152577
Energy: 1.065728275028223
Energy: 1.0617791041580413
Energy: 1.0612267584864081
Energy: 1.0641153911771613
Energy: 1.064570289403866
Energy: 1.2943601497213912
Energy: 1.066580188955106
Energy: 1.0625340857485723
Energy: 1.0617970521166533
Energy: 1.0795089091404326
Energy: 1.2958146563004667
Energy: 1.2946861014495692
Energy: 1.0633647704820572
Energy: 1.4406182371137513
Energy: 1.0657593836251986
Energy: 1.060851040859656
Energy: 1.2958584792669352
Energy: 1.2946853939664662
Energy: 1.2938988071318775
Energy: 1.4419122871566417
Energy: 1.3008874657147695
Energy: 1.0590907118524278
Energy: 1.4406679838021261
Energy: 1.2960206158905292
Energy: 1.0800209804583145
Energy: 1.4386539365039108
Energy: 1.0575981261143468
Energy: 1.0622164402472563
Energy: 1.4432318017041588
Energy: 1.0635670921537284
Energy: 1.0645260593755823
Energy: 1.0657192678717438
Energy: 1.2950741120699305
Energy: 1.0825883669639407
Energy: 1.432921833966343
Energy: 1.0622848802350575
Energy: 1.0650886530992942
Energy: 1.0636355580509094
Energy: 1.0868663318173422
Energy: 1.056657764576757
Energy: 1.0632589151120648
Energy: 1.0647281532648722
Energy: 1.0624035013407553
Energy: 1.0657287006605416
Energy: 1.0569977870930911

minimum gb energy = 1.05662932056531 eV
minimum distance =  2.30282121709759 Angstroms
sigma value = 17


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

Energy: 2.3356006331552286
Energy: 1.143646561726052
Energy: 1.1526165915297066
Energy: 1.1394158980932565
Energy: 1.1831308634981546
Energy: 1.597845557646404
Energy: 1.1538569301739516
Energy: 1.2571807452310777
Energy: 1.1406257545111338
Energy: 1.1422192267429991
Energy: 1.1403353819349633
Energy: 1.1448906534930405
Energy: 1.1548717350266238
Energy: 1.406856279213504
Energy: 1.137023051827777
Energy: 1.1391347933184937
Energy: 1.1368106987712816
Energy: 1.1809895602403506
Energy: 1.1474683333672624
Energy: 1.143158253417815
Energy: 1.146096586957153
Energy: 1.1430730533271913
Energy: 1.1455434572040302
Energy: 1.2564692515223708
Energy: 1.147735871962901
Energy: 1.2580725367435348
Energy: 1.1442359541167915
Energy: 1.1568391807970768
Energy: 1.1438362284615895
Energy: 1.2561446924885742
Energy: 1.1544429256646653
Energy: 1.256669017248007
Energy: 1.4052191535797844
Energy: 1.1343025671808569
Energy: 1.404640509003694
Energy: 1.1569895547707796
Energy: 1.1564232149138698
Energy: 1.1445013605258199
Energy: 1.1430642015229984
Energy: 1.1544688682575195
Energy: 1.2569376451069638
Energy: 1.143805082026151
Energy: 1.1529512865133782
Energy: 1.4059553412478731
Energy: 1.1562802117796354
Energy: 1.1544067639881808
Energy: 1.4045035319476964
Energy: 1.1403705187901436
Energy: 1.155485458729021
Energy: 1.1426676504986055
Energy: 1.5883394603706666
Energy: 1.1339815450402457
Energy: 1.1431117087858857
Energy: 1.154449642921672
Energy: 1.1451175070044444
Energy: 1.1426589555750464
Energy: 1.2581817384906513
Energy: 1.160793035559838
Energy: 1.1431729803385915
Energy: 1.14273915947661
Energy: 1.1388321470286258
Energy: 1.1379473556612174
Energy: 1.1434541363302173
Energy: 1.1539334087851587
Energy: 1.137339153439381
Energy: 1.137851546836133
Energy: 1.1422005276955043
Energy: 1.1438903760246735
Energy: 1.2584675097958802
Energy: 1.1340544364945253
Energy: 1.1430075414473746
Energy: 1.1439924460202926
Energy: 1.1550825204396042
Energy: 1.143617862905472
Energy: 1.4110716252102786
Energy: 1.132193911691881
Energy: 1.1429604110809939
Energy: 1.1544437902110722
Energy: 1.1325203773009571
Energy: 1.406893243150551
Energy: 1.2494252537202513
Energy: 1.1546675638807682
Energy: 1.4073415975922583
Energy: 1.1321841804225221
Energy: 1.1561209805501962
Energy: 1.1443003308038284
Energy: 1.144826903757222
Energy: 1.154232444118373
Energy: 1.2566294067292694
Energy: 1.1442837325989677
Energy: 1.1569339079984782
Energy: 1.1519194424004693
Energy: 1.407870634855273
Energy: 1.1374075795869125
Energy: 1.4062360721668912
Energy: 1.157023604270903
Energy: 1.1319246713501692
Energy: 1.2561103395053959
Energy: 1.1439573115172694
Energy: 1.1556275391305941
Energy: 1.1439648497115333
Energy: 1.135659516989723

minimum gb energy = 1.1319246713501692 eV
minimum distance =  2.2875994953652 Angstroms
sigma value = 17


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

Energy: 1.3531695731832378
Energy: 1.1900572610422433
Energy: 1.1872510771413307
Energy: 1.1887097338000512
Energy: 1.1883852053693562
Energy: 1.185648897748728
Energy: 1.2014080551657356
Energy: 1.189544885869496
Energy: 1.1924608618010157
Energy: 1.194927723967458
Energy: 1.1918838473842701
Energy: 1.2352916514858805
Energy: 1.1867454007477864
Energy: 1.3548714776968351
Energy: 1.1916300707303837
Energy: 1.1925035684115441
Energy: 1.191287005620244
Energy: 1.1356417079143135
Energy: 1.3851252924928925
Energy: 1.5415451331008523
Energy: 1.1901106840170856
Energy: 1.1835737291493307
Energy: 1.1894406083151292
Energy: 1.3595034375746087
Energy: 1.1843081417153638
Energy: 1.3559653714935656
Energy: 1.359421618128848
Energy: 1.1840765152328356
Energy: 1.356636135160369
Energy: 1.3604167456269132
Energy: 1.1863058198520857
Energy: 1.1897295587022019
Energy: 1.1323120144101704
Energy: 1.1429351016026192
Energy: 1.359797481578276
Energy: 1.191536535784759
Energy: 1.1962112279184345
Energy: 1.1933111411106947
Energy: 1.3572511325455627
Energy: 1.1341782258213609
Energy: 1.1871092347214613
Energy: 1.1938186187575344
Energy: 1.1919444193944095
Energy: 1.191140132277146
Energy: 1.1887411782411605
Energy: 1.1834251380368455
Energy: 1.1907892402820528
Energy: 1.1910546371591058
Energy: 1.1909678114592108
Energy: 1.1959960126260225
Energy: 1.3656205817856468
Energy: 1.1898907002579324
Energy: 1.1951805819931438
Energy: 1.1954012070511917
Energy: 1.4286345759921337
Energy: 1.190922025738544
Energy: 1.1890654420794327
Energy: 1.2747212731936757
Energy: 1.189239716162256
Energy: 1.1907617462628488
Energy: 1.4305641145709151
Energy: 1.1883291953785104
Energy: 1.1397565038992394
Energy: 1.186975702509227
Energy: 1.1896573430063826
Energy: 1.189639441245211
Energy: 1.4306127496033207
Energy: 1.1866492879522537
Energy: 1.135183996060067
Energy: 1.1359556895461678
Energy: 1.3675399973282707
Energy: 1.1944647532360233
Energy: 1.2742047258165368
Energy: 1.3661796992475974
Energy: 1.1343449359314663
Energy: 1.1413106958390709
Energy: 1.3676437318251131
Energy: 1.18830367227119
Energy: 1.1325460235737421
Energy: 1.1391134914804244
Energy: 1.138086418669219
Energy: 1.134940099566458
Energy: 1.1380713380538376
Energy: 1.5372173069822255
Energy: 1.4462873637210525
Energy: 1.1342816140585097
Energy: 1.1365800600476934
Energy: 1.1387618010700877
Energy: 1.1375998985158764
Energy: 1.3748552042496456
Energy: 1.2681216866796945
Energy: 1.1347115473561238
Energy: 1.135822119075506
Energy: 1.1359715938967203
Energy: 1.1355064666233285
Energy: 1.1597173394504106
Energy: 1.3841451302111896
Energy: 1.3696026341251142
Energy: 1.139905900434151
Energy: 1.13462553351394
Energy: 1.140232468627182
Energy: 1.3587397889803368
Energy: 1.3835487296866167
Energy: 1.367117104497538
Energy: 1.138693915542369
Energy: 1.1570302439809081
Energy: 1.1383287998100573
Energy: 1.3588284010994551
Energy: 1.2158238169321058
Energy: 1.283711583844977
Energy: 1.3680974492269034
Energy: 1.1372958764601613
Energy: 1.3710103851755788
Energy: 1.1830948472859306
Energy: 1.4299211925073885
Energy: 1.1906053800872807
Energy: 1.1385431023874335
Energy: 1.1613078944862514
Energy: 1.3670580230500693
Energy: 1.1916276558391448
Energy: 1.4325490330427673
Energy: 1.1886205029314079
Energy: 1.5502328887143073
Energy: 1.1834124084153745
Energy: 1.1916562704134663
Energy: 1.1892364848982195
Energy: 1.227241873431914
Energy: 1.1949634237994293
Energy: 1.1329971753389754
Energy: 1.537519033319861
Energy: 1.1900457997239968
Energy: 1.1948936509291426
Energy: 1.1991357385548533
Energy: 1.191017138058054
Energy: 1.1895290554136941
Energy: 1.2214407145779513
Energy: 1.1923291898723647
Energy: 1.191393434797747
Energy: 1.189909635816905
Energy: 1.1897762879589378
Energy: 1.2267530250194076
Energy: 1.1864205885773618
Energy: 1.1903876445053276
Energy: 1.19017809593361
Energy: 1.1890613802464147
Energy: 1.1848775947743762
Energy: 1.357217081543235
Energy: 1.1396294624308065
Energy: 1.3563711420542448
Energy: 1.1941775129868284
Energy: 1.1828605758032047
Energy: 1.3578880947399707
Energy: 1.356046807277127
Energy: 1.136729565501533
Energy: 1.3533975759902894
Energy: 1.1843557884280522
Energy: 1.1420000003115007
Energy: 1.3590584581088607
Energy: 1.1916637792169433
Energy: 1.182865039089782
Energy: 1.3576610610266016
Energy: 1.136627796968716
Energy: 1.1325370430988866
Energy: 1.2358754734456543
Energy: 1.193811333850943
Energy: 1.1927101547471533
Energy: 1.194306141949486
Energy: 1.3577506248645144
Energy: 1.1998425160379311
Energy: 1.1884567332465468
Energy: 1.1899293225707739
Energy: 1.189659125897743
Energy: 1.189493422961637
Energy: 1.1380456148589795
Energy: 1.1346226033504578
Energy: 1.1895492008483055
Energy: 1.1920416749686598
Energy: 1.2022260892777148
Energy: 1.1926806920460873
Energy: 1.3659407544404365
Energy: 1.383263393526315
Energy: 1.1906812610218922
Energy: 1.1952056014756158
Energy: 1.224615344719223
Energy: 1.1947713961305755
Energy: 1.3657702867973431
Energy: 1.1829879161624715
Energy: 1.1888011905204126
Energy: 1.1888510187546821
Energy: 1.1900259266303803
Energy: 1.188726897984491
Energy: 1.1362972017373376
Energy: 1.3922756266642982
Energy: 1.1393669887951943
Energy: 1.1917833649847545
Energy: 1.1966324964864123
Energy: 1.1907991125604847
Energy: 1.1382487488822466
Energy: 1.379906107845033
Energy: 1.3729477784500725
Energy: 1.1909613642174268
Energy: 1.2695781586525448
Energy: 1.3719050588955308
Energy: 1.1327426442862452
Energy: 1.141390513090607
Energy: 1.1394217168372014
Energy: 1.5411875036287381
Energy: 1.1368199542882589
Energy: 1.3691606414552437
Energy: 1.139193955357557
Energy: 1.1522448928737856
Energy: 1.1392225194821655
Energy: 1.3670406749125068
Energy: 1.1321515008601746
Energy: 1.1382523834442821
Energy: 1.1388047905528031
Energy: 1.1355731798652915
Energy: 1.1355834480528417
Energy: 1.1334935071270293
Energy: 1.268680384462543
Energy: 1.1357740812360106
Energy: 1.135933021220594
Energy: 1.139363525835862
Energy: 1.1385968668325386
Energy: 1.3667456169030006
Energy: 1.199774795317911
Energy: 1.1390740883407884
Energy: 1.137907332535761
Energy: 1.1352968378315487
Energy: 1.1595679094678613
Energy: 1.3536073103335622
Energy: 1.360021040751673
Energy: 1.1409702115710785
Energy: 1.1364090856381452
Energy: 1.6127426791612272
Energy: 1.3663967139766966
Energy: 1.3742490447863644
Energy: 1.2638905856314178
Energy: 1.369848578952573
Energy: 1.1364938138367269
Energy: 1.3921831614475584
Energy: 1.1345520690737028
Energy: 1.1869539149461563
Energy: 1.1837978908324545
Energy: 1.1888269100573998
Energy: 1.1388759771253374
Energy: 1.1340672601043613
Energy: 1.4226358424455199
Energy: 1.1886430919180542
Energy: 1.1896452114841694
Energy: 1.1882534611115794
Energy: 1.1371000716652668
Energy: 1.4457350042090154
Energy: 1.1895251776385938
Energy: 1.191309234922205
Energy: 1.1945063328244643
Energy: 1.1926275272788391
Energy: 1.1318422758193663

minimum gb energy = 1.1318422758193663 eV
minimum distance =  2.27800142288942 Angstroms
sigma value = 57


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

Energy: 1.765266935359821
Energy: 1.2120658416798642
Energy: 1.2099659370158755
Energy: 1.4097041399305466
Energy: 1.2351586906717724
Energy: 1.1702387975347592
Energy: 1.2530706591213665
Energy: 1.2075806374076274
Energy: 1.2136811289989577
Energy: 1.2207576196510106
Energy: 1.2134177089180787
Energy: 1.216278288030415
Energy: 1.276057668617039
Energy: 1.366893360687327
Energy: 1.2116310987787777
Energy: 1.215823305908534
Energy: 1.2116250587692041
Energy: 1.2769226672851084
Energy: 1.7474069650579107
Energy: 1.4601695560542256
Energy: 1.2088457849880538
Energy: 1.2066669052073806
Energy: 1.2039263994478475
Energy: 1.4563089510643332
Energy: 1.239894684796796
Energy: 1.4552735193676294
Energy: 1.3644870244952274
Energy: 1.1538029218088717
Energy: 1.368038154697875
Energy: 1.4543751394696953
Energy: 1.2435324360304847
Energy: 1.2345552911965982
Energy: 1.1480101872478308
Energy: 1.1557809659409146
Energy: 1.2425881010757591
Energy: 1.2447361771742433
Energy: 1.2496163810857739
Energy: 1.2404755963783471
Energy: 1.3675037170876798
Energy: 1.2174778762040428
Energy: 1.2280622938157137
Energy: 1.2404146568277223
Energy: 1.2411660215683735
Energy: 1.2393042533362635
Energy: 1.2461101939486223
Energy: 1.2216896446344827
Energy: 1.235784802774111
Energy: 1.2394084517494475
Energy: 1.2398485267613228
Energy: 1.240219485509179
Energy: 1.4399928350036029
Energy: 1.2296634428768882
Energy: 1.2418542589583481
Energy: 1.2457984290993556
Energy: 1.276896589779846
Energy: 1.2370078278351384
Energy: 1.2488078696291252
Energy: 1.2638138499516856
Energy: 1.2461530174144373
Energy: 1.2384698370456972
Energy: 1.444954872836401
Energy: 1.245814653413956
Energy: 1.1078694663649722
Energy: 1.3364717066484075
Energy: 1.2710895938327538
Energy: 1.244271143947814
Energy: 1.2667132325869186
Energy: 1.2666121103094887
Energy: 1.1072992991982946
Energy: 1.113527238228885
Energy: 1.1065850067130887
Energy: 1.2384416898856334
Energy: 1.244692780056039
Energy: 1.1040670931567405
Energy: 1.1059495529471313
Energy: 1.1124011606002504
Energy: 1.10435780532197
Energy: 1.4095059121991074
Energy: 1.8728597689078128
Energy: 1.1069625157071479
Energy: 1.1225906189642398
Energy: 1.3123583550468367
Energy: 1.1064911432379736
Energy: 1.1033322153823666
Energy: 1.2811130267367823
Energy: 1.1051903738491857
Energy: 1.107804118430411
Energy: 1.112444654123552
Energy: 1.1072028050557494
Energy: 1.1035930812895076
Energy: 1.2671897470080766
Energy: 1.1081426482034713
Energy: 1.1049811058479726
Energy: 1.1054506141070313
Energy: 1.1049744897168432
Energy: 1.3194174125409754
Energy: 1.7525314686492985
Energy: 1.2402016998855754
Energy: 1.1065960337068044
Energy: 1.1043817693772557
Energy: 1.1069715039802115
Energy: 1.45837318731752
Energy: 1.2716517896739097
Energy: 1.4600623527098535
Energy: 1.3760649566024248
Energy: 1.2261664289116048
Energy: 1.3700136636132119
Energy: 1.4576644299554604
Energy: 1.2392188786338663
Energy: 1.2435979447687309
Energy: 1.3492476515893619
Energy: 1.159083352420026
Energy: 1.247553733025436
Energy: 1.2303244278216139
Energy: 1.2513840789790969
Energy: 1.2421421897546048
Energy: 1.374332046794176
Energy: 1.2167083368579437
Energy: 1.227061378007522
Energy: 1.2420938442825202
Energy: 1.2409529850976815
Energy: 1.2394927894634151
Energy: 1.2359619825102688
Energy: 1.3107814173186507
Energy: 1.2398637698786608
Energy: 1.23953140964867
Energy: 1.2383631386098835
Energy: 1.2425647614488622
Energy: 1.442693727858628
Energy: 1.4414598998063302
Energy: 1.2451061404966566
Energy: 1.2409812769749446
Energy: 1.2689048641433487
Energy: 1.2433637096706736
Energy: 1.4397450766557733
Energy: 1.2401979127059095
Energy: 1.418407916246523
Energy: 1.2423785343891942
Energy: 1.4475259182130435
Energy: 1.240788011894115
Energy: 1.2114941834648671
Energy: 1.2322362455958404
Energy: 1.4392333842817768
Energy: 1.2407811063390777
Energy: 1.2652845040654124
Energy: 1.4186624621671058
Energy: 1.216151703547361
Energy: 1.225064766675047
Energy: 1.213302300416454
Energy: 1.2440155616444408
Energy: 1.275665438059955
Energy: 1.2148957814330905
Energy: 1.2136688018952544
Energy: 1.2164064732649802
Energy: 1.2108805993760743
Energy: 1.234791280571933
Energy: 1.7530159375994248
Energy: 1.2067253454633111
Energy: 1.2252224532802338
Energy: 1.231947122377694
Energy: 1.211772982254694
Energy: 1.1531786674392857

minimum gb energy = 1.1033322153823666 eV
minimum distance =  2.26858471687921 Angstroms
sigma value = 43


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

Energy: 1.28901898744897
Energy: 1.2268517499109708
Energy: 1.22746087824259
Energy: 1.2287738491889124
Energy: 1.2267887714891679
Energy: 1.6372881925728278
Energy: 1.159544306067037
Energy: 1.2278588761989309
Energy: 1.2282492872285575
Energy: 1.2268805233928743
Energy: 1.2285074974390613
Energy: 1.2232010257668067
Energy: 1.2922189959858759
Energy: 1.269803369972195
Energy: 1.2259704152697146
Energy: 1.2306063334571884
Energy: 1.2263682680173438
Energy: 1.162442345269587
Energy: 1.4189527399401958
Energy: 1.4214412027506975
Energy: 1.2222528098058263
Energy: 1.2204514532007404
Energy: 1.2216313857020795
Energy: 1.1602721274358991
Energy: 1.5478180265516337
Energy: 1.161159870417711
Energy: 1.437996424669025
Energy: 1.2805843489090822
Energy: 1.2791955835615243
Energy: 1.1614071454976747
Energy: 1.1599917553189205
Energy: 1.1605395470751876
Energy: 1.1615780224250873
Energy: 1.1624551471297393
Energy: 1.1610571471944837
Energy: 1.1618839669154006
Energy: 1.1695783712443268
Energy: 1.1610660034840536
Energy: 1.27173083027591
Energy: 1.2285798963355412
Energy: 1.1595912112157447
Energy: 1.1608116769068777
Energy: 1.16548640985689
Energy: 1.1601739429828384
Energy: 1.2683376390911048
Energy: 1.2264835914018357
Energy: 1.1616819948664072
Energy: 1.1600257484623866
Energy: 1.1586194443747762
Energy: 1.1576413514920487
Energy: 1.16082920680971
Energy: 1.157966056356436
Energy: 1.1603830842323903
Energy: 1.1595651775585714
Energy: 1.6736828878093606
Energy: 1.1623688886302188
Energy: 1.4376326195582008
Energy: 1.3394701839968606
Energy: 1.2795215591750553
Energy: 1.1619882688487866
Energy: 1.1590219490582903
Energy: 1.4210996897156127
Energy: 1.2189692850639293
Energy: 1.2193757422643032
Energy: 1.2667866841208433
Energy: 1.15820282923184
Energy: 1.260762252305085
Energy: 1.2730751766483337
Energy: 1.2269635624465898
Energy: 1.2334453480096064
Energy: 1.227167265538454
Energy: 1.1622525884592185
Energy: 1.1607716224565934
Energy: 1.2273264722315558
Energy: 1.2273462513354085
Energy: 1.2337901515178393
Energy: 1.2273604413833508
Energy: 1.425630683036197
Energy: 1.5402732934721461
Energy: 1.224029002023274
Energy: 1.221140381599912
Energy: 1.221679338962984
Energy: 1.2209996395664262
Energy: 1.28853274761361
Energy: 1.224958096975045
Energy: 1.2298755705223363
Energy: 1.2285287116991535
Energy: 1.2265445790055647
Energy: 1.2273351362532177
Energy: 1.2252155492567898
Energy: 1.2685950335790335
Energy: 1.2238266905650794
Energy: 1.226456428564747
Energy: 1.228133326812118
Energy: 1.226448221802222
Energy: 1.2212004200836435
Energy: 1.5450085369951994
Energy: 1.2272396301632122
Energy: 1.2230601706012834
Energy: 1.280453439027668
Energy: 1.3872667727951644
Energy: 1.227002965474838
Energy: 1.545774819100096
Energy: 1.226708754617873
Energy: 1.2241520517253797
Energy: 1.269153042523549
Energy: 1.2296185233090757
Energy: 1.2283542393421518
Energy: 1.2296802768038848
Energy: 1.2272201685645074
Energy: 1.2235510470967914
Energy: 1.640657988491463
Energy: 1.2265287295435678
Energy: 1.2272144227028268
Energy: 1.2361170201495864
Energy: 1.2282395064898972
Energy: 1.2242209717536447
Energy: 1.1582437829792134
Energy: 1.2271520268080796
Energy: 1.228119144499946
Energy: 1.229241750199111
Energy: 1.226024037129153
Energy: 1.1636420726103203
Energy: 1.2802128177032868
Energy: 1.2191015664557157
Energy: 1.2260180720675395
Energy: 1.2241652069682263
Energy: 1.2191009457664015
Energy: 1.1615303835541162
Energy: 1.160002617803693
Energy: 1.1603402842209902
Energy: 1.2209707662818894
Energy: 1.290253602931433
Energy: 1.2794592214239855
Energy: 1.1614603460881527
Energy: 1.225771552960893
Energy: 1.1604526033943812
Energy: 1.4397738568252716
Energy: 1.7858176602113263
Energy: 1.1606658310624158
Energy: 1.1590961930507881
Energy: 1.159918772201501
Energy: 1.1580765600124137
Energy: 1.1605840941197174
Energy: 1.2270029661932342
Energy: 1.1605722429136982
Energy: 1.1609410149743256
Energy: 1.159546655142904
Energy: 1.1613720018282945
Energy: 1.2792760636869682
Energy: 1.2271851510480316
Energy: 1.160297015352627
Energy: 1.1601649077685512
Energy: 1.166446960248045
Energy: 1.1604563540838775
Energy: 1.2923174739731804
Energy: 1.5426884544179738
Energy: 1.1588737292453197
Energy: 1.15728436981989
Energy: 1.158876412426862
Energy: 1.1582193226887447
Energy: 1.1555325059174817
Energy: 1.341182941562606
Energy: 1.4369457341318417
Energy: 1.1622550847730235
Energy: 1.2287374954577182
Energy: 1.1616365643064008
Energy: 1.4378783520117906
Energy: 1.2194587873268523
Energy: 1.226106875702563
Energy: 1.1617069842528123
Energy: 1.1656400814608476
Energy: 1.1610268073839467
Energy: 1.220734048533862
Energy: 1.2321427460347065
Energy: 1.2270276044674513
Energy: 1.163699765373004
Energy: 1.227055586146273
Energy: 1.2188625630038095
Energy: 1.2268206176703298
Energy: 1.2327369243225643
Energy: 1.2274338850671194
Energy: 1.224397084412107
Energy: 1.1604177760443746
Energy: 1.2278759406578372
Energy: 1.2273390446487913
Energy: 1.2213723369286213
Energy: 1.220682468139871
Energy: 1.1589562983819115
Energy: 1.1576330816965077
Energy: 1.2217598319826688
Energy: 1.220490722336545
Energy: 1.5478719116654174
Energy: 1.2273057601922315
Energy: 1.224603890502359
Energy: 1.2134419745672205
Energy: 1.2298712598675383
Energy: 1.228858403153348
Energy: 1.2735056386460664
Energy: 1.2264959237827502
Energy: 1.221272813606758
Energy: 1.2588477932943711
Energy: 1.3851134647145513
Energy: 1.2265912213228043
Energy: 1.2801404220603045
Energy: 1.2234367604109202
Energy: 1.226994640708109
Energy: 1.2282103831153657
Energy: 1.226905005825291
Energy: 1.2272889687964341
Energy: 1.2722500632018285
Energy: 1.2234457519821542
Energy: 1.22674208418419
Energy: 1.2262206197620906
Energy: 1.225947348186351
Energy: 1.2243643156822208

minimum gb energy = 1.1555325059174817 eV
minimum distance =  2.23941164886311 Angstroms
sigma value = 81


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

Energy: 1.1773713852310834
Energy: 1.3169307339293816
Energy: 1.1855725813064701
Energy: 1.187235789141366
Energy: 1.4997492863113013
Energy: 1.1773331152581865
Energy: 1.1861463888350763
Energy: 1.3203224480772155
Energy: 1.1854646409723715
Energy: 1.1857023740965773
Energy: 1.186021820711578
Energy: 1.31637246441991
Energy: 1.3179485112007885
Energy: 1.3162184721852879
Energy: 1.1859530364898532
Energy: 1.1858865613211695
Energy: 1.1852759076726185
Energy: 1.3166531177512921
Energy: 1.3165995718231767
Energy: 1.3162584295226862
Energy: 1.186464418888606
Energy: 1.1858284872568228
Energy: 1.316817671251945
Energy: 1.3164227345105375
Energy: 1.3161623522113823
Energy: 1.318673716902552
Energy: 1.185791158958667
Energy: 1.1776041581004397
Energy: 1.3183403688842303
Energy: 1.3166104389747237
Energy: 1.1855007170059595
Energy: 1.1853043011129056
Energy: 1.1775293924359007
Energy: 1.180405249629707
Energy: 1.3161249424408867
Energy: 1.1856749407172609
Energy: 1.1852438944105497
Energy: 1.1853806521788037
Energy: 1.316110937639261
Energy: 1.1856238695741552
Energy: 1.3186068186991045
Energy: 1.1858248811377994
Energy: 1.1857159783784401
Energy: 1.1856926502880776
Energy: 1.3165447476197127
Energy: 1.316120962227961
Energy: 1.3166207993143475
Energy: 1.1861312141021598
Energy: 1.1862884216783756
Energy: 1.186364824003227
Energy: 1.3163409952211023
Energy: 1.3164967034815278
Energy: 1.3165383011508993
Energy: 1.1863962300042596
Energy: 1.177564772133939
Energy: 1.1856289784603786
Energy: 1.3164180711467959
Energy: 1.316217581587336
Energy: 1.3177645627923829
Energy: 1.1856886813078538

minimum gb energy = 1.1773331152581865 eV
minimum distance =  2.27271643811932 Angstroms
sigma value = 3


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

Energy: 1.1566934945062717
Energy: 1.1737813783326967
Energy: 1.1568599088236937
Energy: 1.1594012556729714
Energy: 1.1559580110231749
Energy: 1.1538559668683792
Energy: 1.1571821861579852
Energy: 1.2699357807733662
Energy: 1.2781919770348733
Energy: 1.397296988532756
Energy: 1.2776529310405738
Energy: 1.160882449159388
Energy: 1.397996877237237
Energy: 1.272418999410216
Energy: 1.1584167771404792
Energy: 1.3975956779242156
Energy: 1.1585639140613064
Energy: 1.3853744199534186
Energy: 1.399376211073321
Energy: 1.1599440494458984
Energy: 1.1586212925431296
Energy: 1.1603020772806862
Energy: 1.272756787687182
Energy: 1.160025594002752
Energy: 1.3981658908532062
Energy: 1.1601686591764306
Energy: 1.1603017555105382
Energy: 1.2067809857150475
Energy: 1.1605458036807716
Energy: 1.3980803153061638
Energy: 1.2202183179707675
Energy: 1.219597478855159
Energy: 1.2547229869761487
Energy: 1.1387958473032262
Energy: 1.1611904324807938
Energy: 1.2205269717561607
Energy: 1.3788451982882104
Energy: 1.1602467154543348
Energy: 1.2355685853104807
Energy: 1.155536483103347
Energy: 1.3157607321468725
Energy: 1.3975773854711098
Energy: 1.3826533051489263
Energy: 1.1578249678746855
Energy: 1.1601705549257135
Energy: 1.160473964285693
Energy: 1.161442098344923
Energy: 1.1562946231872178
Energy: 1.1287397225066425
Energy: 1.160898693388445
Energy: 1.15943782759322
Energy: 1.1620269308122764
Energy: 1.1596030042946168
Energy: 1.3625605051334235
Energy: 1.3352874904074439
Energy: 1.1596766846412117
Energy: 1.1602990400976685
Energy: 1.1595519691057428
Energy: 1.1607073059146524
Energy: 1.2546009657194637
Energy: 1.2812424250249597
Energy: 1.3551262134883326
Energy: 1.1590071328894689
Energy: 1.1581070311062716
Energy: 1.324685859270956
Energy: 1.2803174401793953
Energy: 1.1294114918419427
Energy: 1.245230308191953
Energy: 1.160050961881528
Energy: 1.2321466879448115
Energy: 1.1601601618388002
Energy: 1.1983903384136039
Energy: 1.2500109479212556
Energy: 1.249940055890244
Energy: 1.1600014296433618
Energy: 1.1545184055103408
Energy: 1.1287104542444928
Energy: 1.2507246413875135
Energy: 1.2496171710417292
Energy: 1.2602347475937294
Energy: 1.2830423094615568
Energy: 1.2327397294879816
Energy: 1.1286711418179913
Energy: 1.2567187028942333
Energy: 1.253210762095829
Energy: 1.1279537903774086
Energy: 1.1609042739539264
Energy: 1.1601457556194654
Energy: 1.3150859580418661
Energy: 1.1283305528192642
Energy: 1.1282865587659667
Energy: 1.2514806224122552
Energy: 1.1613503134080208
Energy: 1.1618423865257999
Energy: 1.1609708441568651
Energy: 1.2512547519147577
Energy: 1.1597469264565634
Energy: 1.2835332400695743
Energy: 1.1573314013076912
Energy: 1.2336696547596568
Energy: 1.1587035590696462
Energy: 1.127828503497201
Energy: 1.1604490073001543
Energy: 1.3122943458172087
Energy: 1.1618101118128805
Energy: 1.16011318306595
Energy: 1.1627542281535952
Energy: 1.1279047762305827
Energy: 1.1286666228163555
Energy: 1.312950663254028
Energy: 1.159440754513307
Energy: 1.1623551653060595
Energy: 1.160850727948637
Energy: 1.2534638225810835
Energy: 1.4862866547742364
Energy: 1.1285365003146628
Energy: 1.160833209190342
Energy: 1.158317465779873
Energy: 1.3120866451391295
Energy: 1.128439249089693
Energy: 1.4842938112254604
Energy: 1.1290781549028077
Energy: 1.2438548280767043
Energy: 1.1590122429518563
Energy: 1.1284931427398506
Energy: 1.4836109296521913
Energy: 1.1279294169142946
Energy: 1.2424090027312293
Energy: 1.1382787159356287
Energy: 1.138435618588219
Energy: 1.2451749439411164
Energy: 1.1283706190506817
Energy: 1.4047311734727612
Energy: 1.4837523386392444
Energy: 1.250543285170589
Energy: 1.3572740252150468
Energy: 1.3604234701665212
Energy: 1.483092060426284
Energy: 1.4980888519288205
Energy: 1.1293883260172717
Energy: 1.1596112373712881
Energy: 1.1565130317913714
Energy: 1.1592248040907158
Energy: 1.3958802435346704
Energy: 1.39980881755366
Energy: 1.2470194211900791
Energy: 1.159626495330004
Energy: 1.1593252400391898
Energy: 1.1598748492411002
Energy: 1.555436415437815
Energy: 1.2070220558533342
Energy: 1.1605129988180218
Energy: 1.1598530975923111
Energy: 1.1591507437179467
Energy: 1.1603336851406143
Energy: 1.1615128224409463
Energy: 1.279526025850415
Energy: 1.3137612891371648
Energy: 1.1587458575220217
Energy: 1.1577218529343047
Energy: 1.1581315291685035
Energy: 1.1545462613948343
Energy: 1.217738479711139
Energy: 1.1596829900709482
Energy: 1.1598705037897545
Energy: 1.2420576063592548
Energy: 1.1615291763776707
Energy: 1.1590795992649938
Energy: 1.1585812182406487
Energy: 1.1589074728560533
Energy: 1.1552250809427644
Energy: 1.1559012737402092
Energy: 1.1616911615587773
Energy: 1.1579455320125125
Energy: 1.1584584678076966
Energy: 1.1593502667263793
Energy: 1.1606052196395404
Energy: 1.224229792560565
Energy: 1.1607572777244928
Energy: 1.159091810491152
Energy: 1.1602822604410352
Energy: 1.1598691946733155
Energy: 1.2493122457172938
Energy: 1.396723579060585
Energy: 1.16052922423321
Energy: 1.1596365262856199
Energy: 1.161100849768463
Energy: 1.1614039890504775
Energy: 1.2500455901413727
Energy: 1.415428782196956
Energy: 1.2498098141633878
Energy: 1.1618639114999976
Energy: 1.1365033487201712
Energy: 1.3171085083375023
Energy: 1.3914293069475236
Energy: 1.3969537717811222
Energy: 1.160074689350349
Energy: 1.3473565132183867

minimum gb energy = 1.127828503497201 eV
minimum distance =  2.2432497844779 Angstroms
sigma value = 67


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

Energy: 2.012120815386004
Energy: 1.0967343158569174
Energy: 1.0971702299246513
Energy: 1.3430334700119153
Energy: 1.0968591019163179
Energy: 1.1229028669159542
Energy: 1.1217113170269752
Energy: 1.2867132188876753
Energy: 1.2761632065591302
Energy: 1.353983313849467
Energy: 1.088441127971005
Energy: 1.0907618785603985
Energy: 1.1287556402582894
Energy: 1.1929481338356573
Energy: 1.088262367645063
Energy: 1.3427876003092905
Energy: 1.08819124901672
Energy: 1.1267989539871694
Energy: 1.4112050338751811
Energy: 1.122239730773436
Energy: 1.2866690800287461
Energy: 1.0928837807899288
Energy: 1.195865197419185
Energy: 1.124473605190669
Energy: 1.4080849275901968
Energy: 1.1225421941485056
Energy: 1.188993787294358
Energy: 1.08850954062952
Energy: 1.1885514927328655
Energy: 1.1303608601113768
Energy: 1.351728989293
Energy: 1.344961615155036
Energy: 1.2641898312483717
Energy: 1.2519074520016837
Energy: 1.1534376688219743
Energy: 1.3446471594952771
Energy: 1.1041256420787147
Energy: 1.1236982739164365
Energy: 1.3700674304522449
Energy: 1.0933686176712871
Energy: 1.3097936816551667
Energy: 1.4072014416403824
Energy: 1.379976215625218
Energy: 1.1232203705438952
Energy: 1.238621925565117
Energy: 1.239628752760589
Energy: 1.238202510608192
Energy: 1.095780307395414
Energy: 1.1501223693606797
Energy: 1.0854591688328155
Energy: 1.2402899216425574
Energy: 1.2407363727090073
Energy: 1.2518948676371522
Energy: 1.1549478725438973
Energy: 1.1699423204855173
Energy: 1.1638460845515202
Energy: 1.0868936942160943
Energy: 1.2449978381704783
Energy: 1.0875315981831861
Energy: 1.1621893065775606
Energy: 1.1194420355367019
Energy: 1.0863552353409418
Energy: 1.090130663904154
Energy: 1.086772540495875
Energy: 1.2877196145610101
Energy: 1.0857690457845308
Energy: 1.1667094552935766
Energy: 1.0900664788652286
Energy: 1.0865976298635216
Energy: 1.0931862505656398
Energy: 1.1640862219971568
Energy: 1.125404477269977
Energy: 1.1245018399835203
Energy: 1.0888370486316548
Energy: 1.0863243286355815
Energy: 1.091540664001699
Energy: 1.0898920844515068
Energy: 1.0893516979302462
Energy: 1.1214837840879337
Energy: 1.085978059358067
Energy: 1.1613358408637424
Energy: 1.0868459303481024
Energy: 1.1244002942944105
Energy: 1.085777931731858
Energy: 1.1217994379957539
Energy: 1.0872233138973295
Energy: 1.087105113001229
Energy: 1.5258279321580073
Energy: 1.1623787748066596
Energy: 1.0868754831096528
Energy: 1.1321402824391145
Energy: 1.160861341923308
Energy: 1.2453729470591939
Energy: 1.5260320890339634
Energy: 1.2447835885304228
Energy: 1.132807982792172
Energy: 1.1026941269909725
Energy: 1.1217113743915454
Energy: 1.2385122943055296
Energy: 1.2387428550601358
Energy: 1.238563023879578
Energy: 1.0947897793234276
Energy: 1.11874743741044
Energy: 1.122264475296537
Energy: 1.0920187860260224
Energy: 1.111987717760511
Energy: 1.2388334523420221
Energy: 1.1223683084283564
Energy: 1.1198406787599722
Energy: 1.1232372027097248
Energy: 1.5943374422297065
Energy: 1.5280557108559074
Energy: 1.0873267621143516
Energy: 1.1228910386354942
Energy: 1.1285182980266761
Energy: 1.1219367332246608
Energy: 1.121700753791826
Energy: 1.1110213821694608
Energy: 1.1223594421232486
Energy: 1.1219132377439827
Energy: 1.123590812598719
Energy: 1.1220392231240783
Energy: 1.1243703944534948
Energy: 1.5577502385645263
Energy: 1.1221007252563833
Energy: 1.122442067242308
Energy: 1.1226499498813907
Energy: 1.1223753860604984
Energy: 1.0895455861040597
Energy: 1.3388828249494567
Energy: 1.1639279374830611
Energy: 1.1229607742516359
Energy: 1.0982942873210095
Energy: 1.123517072903903
Energy: 1.2835890342012168
Energy: 1.3564156118959863
Energy: 1.0886864818686643
Energy: 1.1530198334469763

minimum gb energy = 1.0854591688328155 eV
minimum distance =  2.27376226648387 Angstroms
sigma value = 33


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

Energy: 2.5094674057617192
Energy: 1.4449847945410697
Energy: 1.2742027667708893
Energy: 1.4439676195255349
Energy: 1.27361787616288
Energy: 1.3976505184349877
Energy: 1.0339319862832854
Energy: 1.1093174523159746
Energy: 1.4455803534263594
Energy: 1.4460712281507597
Energy: 1.10828922052699
Energy: 1.103667472673696
Energy: 1.197191282578125
Energy: 1.0320031952918618
Energy: 1.0315098456860672
Energy: 1.3582910671378583
Energy: 1.108432505560533
Energy: 1.0311396391556302
Energy: 1.2013862819228545
Energy: 1.0302572791113922
Energy: 1.1061201320619443
Energy: 1.446106761149648
Energy: 1.0302468889125194
Energy: 1.218115197755679
Energy: 1.1995296682990204
Energy: 1.1975031016149813
Energy: 1.0324091284304753
Energy: 1.1989701930824077
Energy: 1.0321969224693528
Energy: 1.1969732771065513
Energy: 1.0333396679096798
Energy: 1.032244388448548
Energy: 1.2771592816947324
Energy: 1.4436063547951299
Energy: 1.2788317586147708
Energy: 1.0322800147972706
Energy: 1.03383711428309
Energy: 1.0313067978839279
Energy: 1.214510164777096
Energy: 1.0297212533751394
Energy: 1.031713753597282
Energy: 1.358705326767977
Energy: 1.0303278270284564
Energy: 1.1101718640979628
Energy: 1.197667326855873
Energy: 1.197189086424238
Energy: 1.1972327948073378
Energy: 1.0290380674253767
Energy: 1.447124846198401
Energy: 1.0296450726689623
Energy: 1.0307938934073604
Energy: 1.1987496156700401
Energy: 1.0308222971526118
Energy: 1.1219967317058717
Energy: 1.4465107604933518
Energy: 1.10988305616233
Energy: 1.031593154111069
Energy: 1.1984999602349236
Energy: 1.0313450386158425
Energy: 1.108590814609569
Energy: 1.4440471719434376
Energy: 1.031585273904552
Energy: 1.034763842888087
Energy: 1.196101954850786
Energy: 1.1105789436525169
Energy: 1.031493876273894
Energy: 1.4445362765362637
Energy: 1.4445707961943288
Energy: 1.0306422922573568
Energy: 1.0336096189030572
Energy: 1.0306640040861212
Energy: 1.4446760696502
Energy: 1.0338409669232966
Energy: 1.4439357720150938
Energy: 1.0310481567957552
Energy: 1.0339959756662895
Energy: 1.0316186080598768
Energy: 1.0347799666442052
Energy: 1.5218158325263196
Energy: 1.0316696766847213
Energy: 1.0316774084179108
Energy: 1.0303163488318223
Energy: 1.031372676099986
Energy: 1.0306965452503627
Energy: 1.5077734593297059
Energy: 1.0319829522679127
Energy: 1.0315561223911416
Energy: 1.0374864441984524
Energy: 1.031095416412102
Energy: 1.105912152269928
Energy: 1.5127121615121504
Energy: 1.0293657137996601
Energy: 1.029453231652957
Energy: 1.030326186122881
Energy: 1.02879267340159
Energy: 1.1095938496345565
Energy: 1.4411785698376798
Energy: 1.0303693279291646
Energy: 1.0324255282061083
Energy: 1.0316102876296733
Energy: 1.0327086965026386
Energy: 1.031314196108635
Energy: 1.0330883126152453
Energy: 1.108689378583586
Energy: 1.0320541119229718
Energy: 1.0343732986977745
Energy: 1.0315359794344001
Energy: 1.4473344700938273
Energy: 1.2380319781991118
Energy: 1.2659705958809404
Energy: 1.3680281377644181
Energy: 1.3566790258677883
Energy: 1.4468711770038287
Energy: 1.2652208377363876
Energy: 1.4457546740836065
Energy: 1.267842315049465
Energy: 1.1067331106308265
Energy: 1.1939676371419912
Energy: 1.109394067766477
Energy: 1.4467836428460734
Energy: 1.3584435434656374
Energy: 1.0320652324428217
Energy: 1.0315452505590474
Energy: 1.1971241845287282
Energy: 1.109839590444501
Energy: 1.0311605654361693
Energy: 1.445594644098602
Energy: 1.110911991082375
Energy: 1.030184566755286
Energy: 1.2016916694402293
Energy: 1.0299662975158435
Energy: 1.197226126686212
Energy: 1.029402170492304
Energy: 1.0317610394889016
Energy: 1.1978021924034996
Energy: 1.1986597086303066
Energy: 1.03141405209378
Energy: 1.0294562773554623
Energy: 1.029261881785417
Energy: 1.2145532600507392
Energy: 1.0317517251697306
Energy: 1.0328426648049847
Energy: 1.0320844484516383
Energy: 1.611103950817081
Energy: 1.035338076619196
Energy: 1.0311993600043128
Energy: 1.1974715302117143
Energy: 1.0380682521347082
Energy: 1.032079946713106
Energy: 1.2161227613150074
Energy: 1.19785724524077
Energy: 1.1956110008978276
Energy: 1.0294158892006777
Energy: 1.5189803029377802
Energy: 1.0349243657265879
Energy: 1.196908957181489
Energy: 1.1964779203105804
Energy: 1.0310302002654295
Energy: 1.0300694768104095
Energy: 1.4024050417406668
Energy: 1.0309668875824596
Energy: 1.0342764980266066
Energy: 1.197510912009946
Energy: 1.0310330948613353
Energy: 1.108809715753558
Energy: 1.447058884535402
Energy: 1.1095259615355588
Energy: 1.0311648989238233
Energy: 1.198264883119955
Energy: 1.1067683229731708
Energy: 1.0312341444615833
Energy: 1.4475452003869977
Energy: 1.2190528175011177
Energy: 1.1970794047154416
Energy: 1.0342777515038424
Energy: 1.0308369904827817
Energy: 1.4442921999261393
Energy: 1.4452219532674757
Energy: 1.2950974467959155
Energy: 1.0295313564275188
Energy: 1.0341422873837478
Energy: 1.0311136591470995
Energy: 1.0338581306960297
Energy: 1.0306231652586841
Energy: 1.4441179547352272
Energy: 1.1941686383764618
Energy: 1.0302398448465486
Energy: 1.0315717070403343
Energy: 1.0316071417623456
Energy: 1.5168262607176608
Energy: 1.1072272257204192
Energy: 1.0316808528795847
Energy: 1.0366317817430792
Energy: 1.0315228260807168
Energy: 1.1070571313802606
Energy: 1.508139485223665
Energy: 1.0316146746457548
Energy: 1.0318977370990576
Energy: 1.0287373243553235
Energy: 1.0289534882490199
Energy: 1.030071080756832
Energy: 1.5125212281470657
Energy: 1.0292964285473005
Energy: 1.0291677137137114
Energy: 1.031809238937962
Energy: 1.0321660870693186
Energy: 1.1067451100975085
Energy: 1.2798819405169597
Energy: 1.0333657173918231
Energy: 1.0323975989296683
Energy: 1.0331241459797313
Energy: 1.030494999982652
Energy: 1.2693256364038779
Energy: 1.0313562862119827
Energy: 1.1080759949691723
Energy: 1.0324475592222364
Energy: 1.0271122152418781
Energy: 1.0297357004952108
Energy: 1.0317304569774535
Energy: 1.0502658021461706
Energy: 1.445131770056463
Energy: 1.3583444528954678

minimum gb energy = 1.0271122152418781 eV
minimum distance =  2.20990648597093 Angstroms
sigma value = 41


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

Energy: 1.8995115697192482
Energy: 1.1631138233391731
Energy: 1.1631917236248361
Energy: 1.1669309894326734
Energy: 1.1631807860812235
Energy: 1.8441796012943743
Energy: 1.1687944233383636
Energy: 0.9094180856852906
Energy: 0.9059802756274019
Energy: 1.1665240797403038
Energy: 0.9084198430132397
Energy: 0.9067340402040319
Energy: 1.1650353654406618
Energy: 0.9098962234955601
Energy: 0.9101235063060511
Energy: 0.8469702961130039
Energy: 0.9091197708931449
Energy: 0.9061175164347971
Energy: 1.1682370530208028
Energy: 0.9112186170558281
Energy: 0.9055499115694731
Energy: 1.1715766462820583
Energy: 0.9092102008948857
Energy: 1.3583119533154429
Energy: 1.167098566588876
Energy: 1.1677640162329117
Energy: 0.9099817709587602
Energy: 1.163202392770031
Energy: 0.9081253747031577
Energy: 1.1673954302338416
Energy: 1.1663144918932453
Energy: 1.1624882910084222
Energy: 1.164420531152928
Energy: 1.1571189058417504
Energy: 1.1633805884051256
Energy: 1.164442297457418
Energy: 1.4747263446121222
Energy: 1.1675491486992293
Energy: 0.9054538014756682
Energy: 1.170064134965295
Energy: 0.9074288068063098
Energy: 1.224230931086239
Energy: 1.474564782785076
Energy: 0.9102124369705343
Energy: 1.1654499055279721
Energy: 1.1720864414244692
Energy: 0.9088823156125733
Energy: 1.474592842337183
Energy: 1.170431212979639
Energy: 0.909974366097631
Energy: 0.9059698637150208
Energy: 0.8468532977321148
Energy: 0.9088503878701583
Energy: 0.9057831825358477
Energy: 1.1671690011895621
Energy: 0.909757692279185
Energy: 0.90599667703692
Energy: 1.1665272790913794
Energy: 0.9091094415815688
Energy: 0.905882004367539
Energy: 1.1657172793340869
Energy: 0.905031276766009
Energy: 0.9105758608901516
Energy: 1.1686609286383354
Energy: 0.9104134674153799
Energy: 1.1688425148870993
Energy: 1.169621990346511
Energy: 1.164953348764631
Energy: 0.9107641015972855
Energy: 1.1566756082861793
Energy: 0.9077782322990364
Energy: 1.1648303540511045
Energy: 1.1709205347008238
Energy: 1.165076964485605
Energy: 0.910457689613737
Energy: 1.162212964628919
Energy: 0.9081328242615555
Energy: 1.1616469803007063
Energy: 1.475661974691027
Energy: 0.9051265543061752
Energy: 1.163667166198618
Energy: 1.1689855518254537
Energy: 0.9101068097039244
Energy: 1.4748046559563461

minimum gb energy = 0.8468532977321148 eV
minimum distance =  2.3411004656029 Angstroms
sigma value = 11


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

Energy: 1.2255975648153439
Energy: 1.1391044168399593
Energy: 1.139063481179857
Energy: 1.287389633635327
Energy: 1.1382511312400034
Energy: 1.1884502482946702
Energy: 1.1370699904134756
Energy: 1.1382148319303513
Energy: 1.1298091389500726
Energy: 1.131169326568703
Energy: 1.2074507505225103
Energy: 1.1548863002872227
Energy: 1.137782247660199
Energy: 1.1378233066755088
Energy: 1.2081951057691176
Energy: 1.1282630408771306
Energy: 1.2086636069764918
Energy: 1.1377959428902906
Energy: 1.138591273539228
Energy: 1.1387753636046682
Energy: 1.208851821358083
Energy: 1.1323794542460945
Energy: 1.1396608407255109
Energy: 1.138431771711856
Energy: 1.138699712627314
Energy: 1.138086812070624
Energy: 1.2080539915940691
Energy: 1.130140616054334
Energy: 1.138649939461623
Energy: 1.1381304640550518
Energy: 1.1368510839167307
Energy: 1.1385125356677805
Energy: 1.2068194005681787
Energy: 1.1303060061278194
Energy: 1.2070557118765664
Energy: 1.1372534295602243
Energy: 1.1354608322591453
Energy: 1.1401957503939737
Energy: 1.129721960170852
Energy: 1.130187789957996
Energy: 1.129624874657199
Energy: 1.2037205479637363
Energy: 1.13430223639183
Energy: 1.1383139841268937
Energy: 1.138645038811119
Energy: 1.137770064895642
Energy: 1.138574808125326
Energy: 1.1264376592724752
Energy: 1.1392390510876933
Energy: 1.1378038860349164
Energy: 1.2079391431384556
Energy: 1.1269542832207116
Energy: 1.138202630394969
Energy: 1.1377023751402007
Energy: 1.138005051023899
Energy: 1.138574759746303
Energy: 1.2065680955812441
Energy: 1.1273632988281281
Energy: 1.138517636592073
Energy: 1.1383317934057298
Energy: 1.1422134297703288
Energy: 1.1388566981434216
Energy: 1.2190511500823538
Energy: 1.1397183701594356
Energy: 1.2206598130790978
Energy: 1.1396081570862566
Energy: 1.1384010324372886
Energy: 1.2065863987265149
Energy: 1.1386300199334283
Energy: 1.1405131976636
Energy: 1.206776024572092
Energy: 1.1393884162857906
Energy: 1.1413445044085508
Energy: 1.1384528817160917
Energy: 1.1390277505765003
Energy: 1.1424861143517275
Energy: 1.138748133714711
Energy: 1.138082638693812
Energy: 1.1262477879186803
Energy: 1.1387166878677737
Energy: 1.138509628203423
Energy: 1.1381773568083045
Energy: 1.1388420875545997
Energy: 1.208246392519306
Energy: 1.1381874485371453
Energy: 1.2077655483852245
Energy: 1.1384281795402653
Energy: 1.1380483117765974
Energy: 1.1382048124658297
Energy: 1.130025696266739
Energy: 1.1378912005218782
Energy: 1.1386033685176045
Energy: 1.3762358138573314
Energy: 1.1242866526367699
Energy: 1.1398262354176016
Energy: 1.1396326776666907
Energy: 1.1311500272704615
Energy: 1.2075198344405267
Energy: 1.1383695550781392
Energy: 1.1263982738410079
Energy: 1.1383719762023328
Energy: 1.1295918351158862
Energy: 1.1295804203276367
Energy: 1.3890533114958101
Energy: 1.137819221852537
Energy: 1.137620515185334
Energy: 1.137801544914483
Energy: 1.1278662403150166
Energy: 1.1316417256046194
Energy: 1.1392667354286894
Energy: 1.1396979105285767
Energy: 1.1657153906476043
Energy: 1.139103816902378
Energy: 1.12953969501761
Energy: 1.1313094451964663
Energy: 1.1382131722920283
Energy: 1.1382801684077095
Energy: 1.1395259897049583
Energy: 1.1385631772917049
Energy: 1.2070408946249558
Energy: 1.1302514402913622
Energy: 1.2194099239117093
Energy: 1.1375759870672641
Energy: 1.1373077268129126
Energy: 1.1398881320545649
Energy: 1.206430432691501
Energy: 1.130282479878743
Energy: 1.1298618075651818
Energy: 1.1380699017521336
Energy: 1.1352483735617898
Energy: 1.1385238514462233
Energy: 1.1348857130699561
Energy: 1.1375305204380233
Energy: 1.1384426657957958
Energy: 1.2048474470009471
Energy: 1.1271249053569494
Energy: 1.1293979648103434
Energy: 1.1410103911474665
Energy: 1.1270563256725878
Energy: 1.2085932505035957
Energy: 1.1373250946465268
Energy: 1.1406025465362293
Energy: 1.1381766456145832
Energy: 1.2025876232224957
Energy: 1.1273292590157027
Energy: 1.1386284542909624
Energy: 1.138405909850247
Energy: 1.140416671909965
Energy: 1.1385431251308795
Energy: 1.2041760916505608
Energy: 1.1400821110791084
Energy: 1.2222328753886522
Energy: 1.1390442999265527
Energy: 1.1398261321808931
Energy: 1.1404327448862372
Energy: 1.1391946230342573
Energy: 1.1379208998839307
Energy: 1.1381548595958844
Energy: 1.138768817119482
Energy: 1.1403619210114058
Energy: 1.2101649559277743
Energy: 1.140673090070375
Energy: 1.1388456300598646
Energy: 1.1411528963706614
Energy: 1.2193390103860424
Energy: 1.1414764140399014
Energy: 1.1390300533968196
Energy: 1.1383072182338705
Energy: 1.140997491679456
Energy: 1.1385318380667413
Energy: 1.2068969767099271
Energy: 1.126250350577825
Energy: 1.1382763836550898
Energy: 1.1384491711756992
Energy: 1.140205179584445
Energy: 1.138729528346247
Energy: 1.207962176476298
Energy: 1.1373919316934125
Energy: 1.207265368500071
Energy: 1.1376238731005839
Energy: 1.1245069517260502
Energy: 1.1388628024843772
Energy: 1.1384050193924047
Energy: 1.1378233347987938
Energy: 1.138725012107575
Energy: 1.1271264928225508

minimum gb energy = 1.1242866526367699 eV
minimum distance =  2.25566434215187 Angstroms
sigma value = 57


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

Energy: 2.339255308242265
Energy: 1.2754709653018999
Energy: 1.27685748615041
Energy: 1.2750697727772378
Energy: 1.27681861795179
Energy: 1.2454849423047274
Energy: 1.2075164780860779
Energy: 1.263050381725051
Energy: 1.262900534702648
Energy: 1.206675005692279
Energy: 1.2650272341514346
Energy: 1.2068471928735365
Energy: 1.2065269708048536
Energy: 1.2079636681237795
Energy: 1.2629623191591963
Energy: 1.1903470999704286
Energy: 1.2653279573379612
Energy: 1.2078282517562717
Energy: 1.2071650944631696
Energy: 1.2080024511153988
Energy: 1.263653849310532
Energy: 1.2065622249420052
Energy: 1.207534446838308
Energy: 1.208253055508334
Energy: 1.2083017367626694
Energy: 1.2077784606321413
Energy: 1.2623668538979402
Energy: 1.2066470030158831
Energy: 1.2632020843194833
Energy: 1.2082838988004434
Energy: 1.2064185833319734
Energy: 1.263554786826111
Energy: 1.2631307463472263
Energy: 1.2067186980015527
Energy: 1.2623207683334627
Energy: 1.2085071002859036
Energy: 1.2703176245080847
Energy: 1.2637099016009856
Energy: 1.2073490524916748
Energy: 1.2770939911366326
Energy: 1.2074037170492933
Energy: 1.2623118625516674
Energy: 1.2702519860170267
Energy: 1.2623802612902326
Energy: 1.2070800548808787
Energy: 1.2859291110390532
Energy: 1.2074320746453477
Energy: 1.2628547360944078
Energy: 1.2061858585099923
Energy: 1.2069982567995614
Energy: 1.1915094692020485
Energy: 1.1896931627583276
Energy: 1.2626723503662551
Energy: 1.2086276450415816
Energy: 1.2775537194351423
Energy: 1.2070614079420097
Energy: 1.1909158652699607
Energy: 1.189783243216841
Energy: 1.2625871245313518
Energy: 1.2072554825910864
Energy: 1.189771353197929
Energy: 1.2628042527458454
Energy: 1.2072922333673142
Energy: 1.2065952763747994
Energy: 1.4141281769775333
Energy: 1.262920217442397
Energy: 1.1896137789661179
Energy: 1.264233162329289
Energy: 1.2077471076999777
Energy: 1.208751939414302
Energy: 1.2073770925159917
Energy: 1.2624296158679427
Energy: 1.2086481962501643
Energy: 1.2072626605543613
Energy: 1.2081168704882574
Energy: 1.208812332323257
Energy: 1.2075844320333298
Energy: 1.2071753392557565
Energy: 1.2064492637499367
Energy: 1.2632965864973589
Energy: 1.2076874043762538
Energy: 1.2069049700942043
Energy: 1.2067438183835397
Energy: 1.2635748745247188
Energy: 1.206938328444238
Energy: 1.2627244636707817
Energy: 1.2633378122460799
Energy: 1.2066725960140359
Energy: 1.262981723197374
Energy: 1.2082485422143043
Energy: 1.2750540259576382
Energy: 1.2754147021462459
Energy: 1.209387248430629
Energy: 1.203639660912225
Energy: 1.2072152762315707
Energy: 1.2758285084447656
Energy: 1.2644436490782038
Energy: 1.26221510800639
Energy: 1.2629260150889718
Energy: 1.2061212451017163
Energy: 1.2649486433801271
Energy: 1.2082302117009354

minimum gb energy = 1.1896137789661179 eV
minimum distance =  2.26756062655484 Angstroms
sigma value = 9


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

Energy: 2.5331528878879026
Energy: 1.3314432691324312
Energy: 1.3141906170064757
Energy: 1.314522492101383
Energy: 1.3149919091493119
Energy: 1.2790619537529393
Energy: 1.2822223074610748
Energy: 1.4523556909553834
Energy: 1.3069669238723556
Energy: 1.3309099034045833
Energy: 1.3510967771511115
Energy: 1.2953367105004505
Energy: 1.28254139861978
Energy: 1.3004664268672284
Energy: 1.559225494624469
Energy: 1.2557183270217755
Energy: 1.4514404456989047
Energy: 1.2825671979155355
Energy: 1.2975828078555987
Energy: 1.2997631515469965
Energy: 1.4475730699506366
Energy: 1.3073772296951964
Energy: 1.2823054375448641
Energy: 1.2989677882822355
Energy: 1.2828536364631813
Energy: 1.3629645759084912
Energy: 1.364590669292716
Energy: 1.3011572519270718
Energy: 1.363299826048916
Energy: 1.4461980322191867
Energy: 1.2896102507953535
Energy: 1.3639761852325192
Energy: 1.2826707289286465
Energy: 1.2985616567646385
Energy: 1.4509107310150589
Energy: 1.2884506609521982
Energy: 1.3311742487549711
Energy: 1.2986382724626433
Energy: 1.2991270010824099
Energy: 1.2997180029771427
Energy: 1.3022568870639282
Energy: 1.3509688432390057
Energy: 1.3315499535531632
Energy: 1.335419470505592
Energy: 1.2845122680010481
Energy: 1.2814508074389812
Energy: 1.436200011926971
Energy: 1.3356925742420993
Energy: 1.3301826754296269
Energy: 1.3312738705524745
Energy: 1.3358681706529394
Energy: 1.328419291958493
Energy: 1.4508429002573437
Energy: 1.3311887359131465
Energy: 1.3124362538222145
Energy: 1.2888858459620418
Energy: 1.3373002334957818
Energy: 1.3285154108489956
Energy: 1.4508398997152472
Energy: 1.3134901953847857
Energy: 1.358640771968035
Energy: 1.4507691522760866
Energy: 1.2845157394365012
Energy: 1.3126430615200235
Energy: 1.2897638495694
Energy: 1.2847886964130903
Energy: 1.3571929813113066
Energy: 1.3357457482552781
Energy: 1.3075759840195749
Energy: 1.3328451387902605
Energy: 1.3072392290191344
Energy: 1.3088028956245408
Energy: 1.2812104865213092
Energy: 1.284746536469009
Energy: 1.336241148110522
Energy: 1.2562278289765443
Energy: 1.451265342583999
Energy: 1.283874975408296
Energy: 1.3008165265852594
Energy: 1.3017222841021459
Energy: 1.2991782576882125
Energy: 1.2838790418510029
Energy: 1.2992893624008175
Energy: 1.2994197904754492
Energy: 1.2811668163370988
Energy: 1.4489061382711206
Energy: 1.3644222776067756
Energy: 1.2999497867211554
Energy: 1.3645493133035445
Energy: 1.2854786745514781
Energy: 1.2983007311013388
Energy: 1.3635218956137996
Energy: 1.4575868671064927
Energy: 1.4476641566310224
Energy: 1.4610606203118268
Energy: 1.298904346411344
Energy: 1.3059905398371214
Energy: 1.283509091297054
Energy: 1.2990359358593928
Energy: 1.299858209391607
Energy: 1.302521383272537
Energy: 1.2823583827296257
Energy: 1.3214970994962447
Energy: 1.4511347455371764
Energy: 1.284132806900682
Energy: 1.281537005420045
Energy: 1.283526361758304
Energy: 1.451602078737964
Energy: 1.3310788848242727
Energy: 1.295253442268539
Energy: 1.2981580386641292
Energy: 1.2879612430740601
Energy: 1.3512895186197875
Energy: 1.3079947917744825
Energy: 1.3130723640853332
Energy: 1.3142259523165736
Energy: 1.3101380116440848
Energy: 1.319395298821727
Energy: 1.282423339733903
Energy: 1.3147855203758723
Energy: 1.3569695924651173
Energy: 1.3373585899179712
Energy: 1.2834768093302928
Energy: 1.3125494132089472
Energy: 1.4527583169338671
Energy: 1.2950872556935618

minimum gb energy = 1.2557183270217755 eV
minimum distance =  2.26323993251913 Angstroms
sigma value = 27


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

Energy: 1.3463725559377617
Energy: 1.3149825133910713
Energy: 1.3145959388640962
Energy: 1.3157793145692565
Energy: 1.3146755750795363
Energy: 1.278481096819126
Energy: 1.2668559681906468
Energy: 1.270779625115423
Energy: 1.3123177677212863
Energy: 1.3264112714108074
Energy: 1.26934992008018
Energy: 1.2980118105028216
Energy: 1.2700279915786514
Energy: 1.2673228670466836
Energy: 1.6234297043992032
Energy: 1.4819062406187842
Energy: 1.2667429594667117
Energy: 1.267233554180343
Energy: 1.2665347810916996
Energy: 1.2672520682607427
Energy: 1.3696957621897676
Energy: 1.2954907150360353
Energy: 1.4253876214420589
Energy: 1.2681635227076211
Energy: 1.2645207187164678
Energy: 1.3762064704760877
Energy: 1.2795364470537682
Energy: 1.3137329452292639
Energy: 1.3775043917056722
Energy: 1.5267752532927858
Energy: 1.2714250851709954
Energy: 1.4861150907292495
Energy: 1.27918720881529
Energy: 1.2961778031822075
Energy: 1.361199265378483
Energy: 1.2697712832562422
Energy: 1.2842988444319026
Energy: 1.3766605548832396
Energy: 1.3627207167072526
Energy: 1.2974536524514797
Energy: 1.3619046332181997
Energy: 1.2703586195062295
Energy: 1.2841143549255183
Energy: 1.3781926143111256
Energy: 1.2971433033506468
Energy: 1.2955946657556856
Energy: 1.3768493012682934
Energy: 1.266675373387182
Energy: 1.2664367592672003
Energy: 1.2674304877371703
Energy: 1.266214539520817
Energy: 1.3238506609836531
Energy: 1.2693962941311057
Energy: 1.2682052010139804
Energy: 1.2665409888118284
Energy: 1.3688211096039045
Energy: 1.337431073528098
Energy: 1.3238113868074157
Energy: 1.2675326820497077
Energy: 1.377133750641573
Energy: 1.3210750684890178
Energy: 1.4678684831330266
Energy: 1.314694305325313
Energy: 1.3161813953392123
Energy: 1.3147524709816663
Energy: 1.2675867246805061
Energy: 1.3209302657150985
Energy: 1.27013726054091
Energy: 1.315001802625884
Energy: 1.313936317151537
Energy: 1.2803457636779056
Energy: 1.3119500000282964
Energy: 1.3136844665027838
Energy: 1.2690886744718752
Energy: 1.2655960588239998
Energy: 1.2640607218996553
Energy: 1.28044295092907
Energy: 1.3165390563128962
Energy: 1.31373173446418
Energy: 1.2965619418391308
Energy: 1.266955901278353
Energy: 1.3540708781194115
Energy: 1.269329815651003
Energy: 1.2967347730376668
Energy: 1.2646539654293847
Energy: 1.467805823046704
Energy: 1.2667388699921847
Energy: 1.2671429761568036
Energy: 1.353268913906673
Energy: 1.6241265312619944
Energy: 1.2645696991298265
Energy: 1.2696660822492833
Energy: 1.2718683887768616
Energy: 1.2694826079912018
Energy: 1.2661482847295504
Energy: 1.2813673824621021
Energy: 1.3131635270988264
Energy: 1.378237391227142
Energy: 1.526825859040014
Energy: 1.2653514672436899
Energy: 1.526365842399552
Energy: 1.2803665527559678
Energy: 1.296372406936936
Energy: 1.3636417582026956
Energy: 1.2692479464982305
Energy: 1.2672428661151984
Energy: 1.3634850317953704
Energy: 1.3608722940758553
Energy: 1.2955534875853463
Energy: 1.3627489744470749
Energy: 1.270386739191689
Energy: 1.266836479736702
Energy: 1.3632196041854594
Energy: 1.3608141922288002
Energy: 1.312808806105779
Energy: 1.3781751883099795
Energy: 1.5273486437912054
Energy: 1.2665096194481436
Energy: 1.5271155715511247
Energy: 1.2802479053187559
Energy: 1.323827390915022
Energy: 1.3754050937291138
Energy: 1.2706534035805206
Energy: 1.2695116177043666
Energy: 1.2670326323435421
Energy: 1.2987125894894966
Energy: 1.2640763622359386
Energy: 1.467594618842512
Energy: 1.2667254786151663
Energy: 1.267178812293887
Energy: 1.2666402666183656
Energy: 1.4678404256701578
Energy: 1.3143319296415341
Energy: 1.2796381107554977
Energy: 1.2675637010405174
Energy: 1.3213525161398862
Energy: 1.2696090954657224
Energy: 1.3149090407265638
Energy: 1.314041738984323
Energy: 1.3936443831158414
Energy: 1.4652875368557319
Energy: 1.3212395513431259
Energy: 1.2798101566484497
Energy: 1.316491961926567
Energy: 1.3536895352716474
Energy: 1.3380619215458713
Energy: 1.2795449933847483
Energy: 1.3137899750368072
Energy: 1.2806029328247672
Energy: 1.265600621557851

minimum gb energy = 1.2640607218996553 eV
minimum distance =  2.28491404241718 Angstroms
sigma value = 19


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

Energy: 1.3727778581318149
Energy: 1.2936551411736499
Energy: 1.2935689518786795
Energy: 1.2947178623341071
Energy: 1.293652027902623
Energy: 1.2617198366182152
Energy: 1.2508283659635342
Energy: 1.245213488593854
Energy: 1.2745261093893445
Energy: 1.2935620929951346
Energy: 1.2447361519031772
Energy: 1.2538865783086643
Energy: 1.2408387054883074
Energy: 1.24128578962964
Energy: 1.226396727332627
Energy: 1.226478162770753
Energy: 1.2415113611047939
Energy: 1.241212333802881
Energy: 1.2408148709991798
Energy: 1.241489266621187
Energy: 1.241687180743609
Energy: 1.2535756843851527
Energy: 1.256321875882687
Energy: 1.2408865731617835
Energy: 1.2264805594743038
Energy: 1.244157399334234
Energy: 1.2444960589579632
Energy: 1.25722163499792
Energy: 1.315954413224922
Energy: 1.315609899634622
Energy: 1.2433910542215745
Energy: 1.2556367388704361
Energy: 1.2556354181870233
Energy: 1.257095804030647
Energy: 1.3162297673687229
Energy: 1.2449202776128199
Energy: 1.2561846472894531
Energy: 1.3978861189418648
Energy: 1.414076094065964
Energy: 1.3757365742863685
Energy: 1.396233894220245
Energy: 1.3883686688333472
Energy: 1.2564304282070866
Energy: 1.3762138342811927
Energy: 1.2440233913235805
Energy: 1.2454317254644345
Energy: 1.2564384321981945
Energy: 1.256127433050477
Energy: 1.249802268745341
Energy: 1.3156396897898315
Energy: 1.3165536471337336
Energy: 1.241421846082344
Energy: 1.3152105561705183
Energy: 1.3174294128431394
Energy: 1.253034816998003
Energy: 1.2566286978038497
Energy: 1.2409636975037714
Energy: 1.2414616185609246
Energy: 1.3169231201988336
Energy: 1.2537591772155112
Energy: 1.2379065015906003
Energy: 1.2459756087399354
Energy: 1.2445277096739191
Energy: 1.2440632142292125
Energy: 1.2417102268076077
Energy: 1.2448536168334514
Energy: 1.3041630614661741
Energy: 1.2447521114982727
Energy: 1.3511906035581436
Energy: 1.2412379239206592
Energy: 1.2443530977484936
Energy: 1.3047937628263904
Energy: 1.2941734883411806
Energy: 1.2936201196598232
Energy: 1.2393503753051573
Energy: 1.3010008930945876
Energy: 1.2535019148531747
Energy: 1.293550584269868
Energy: 1.2931305372595001
Energy: 1.253676842584714
Energy: 1.2735061171926227
Energy: 1.300774159336261
Energy: 1.2439619335940528
Energy: 1.2935611782411773
Energy: 1.2502462043046119
Energy: 1.2536372491050929
Energy: 1.2939105424026105
Energy: 1.29323903420158
Energy: 1.240984054362283
Energy: 1.2516295002621098
Energy: 1.3258168510119699
Energy: 1.3440615809904162
Energy: 1.253593510198518
Energy: 1.2932859182338972
Energy: 1.2535189190064202
Energy: 1.2803902453052067
Energy: 1.2407525106141744
Energy: 1.2412286389753517
Energy: 1.2290825775347787
Energy: 1.2517943587388791
Energy: 1.3221016692208716
Energy: 1.2412782984781041
Energy: 1.2437342433861471
Energy: 1.2442683174302254
Energy: 1.243802272758231
Energy: 1.2756856542077433
Energy: 1.2560968233331173
Energy: 1.2441258730947744
Energy: 1.227247955109196
Energy: 1.5386109455866281
Energy: 1.2562043211385554
Energy: 1.2561579023450904
Energy: 1.315843971597674
Energy: 1.5384422782763503
Energy: 1.2433799457595527
Energy: 1.2562744620585917
Energy: 1.3157753391349634
Energy: 1.2443894826888775
Energy: 1.3168527025741528
Energy: 1.2442699504066257
Energy: 1.2558080150379405
Energy: 1.3639727601820804
Energy: 1.4144195571843294
Energy: 1.2544772180070514
Energy: 1.4135390105241923
Energy: 1.2568166113662211
Energy: 1.25399746869754
Energy: 1.4138570011327782
Energy: 1.2560934049016472
Energy: 1.256855195721294
Energy: 1.3964214437528772
Energy: 1.3765306782655402
Energy: 1.2438881247855638
Energy: 1.3156647919855933
Energy: 1.2557494707747423
Energy: 1.2415155383410255
Energy: 1.31687773462529
Energy: 1.3169676481138117
Energy: 1.2560279311701572
Energy: 1.2564441150644527
Energy: 1.538695191304895
Energy: 1.2415484285912621
Energy: 1.363704288106031
Energy: 1.2575451412695293
Energy: 1.3044594607068876
Energy: 1.2441028638891443
Energy: 1.2445705632370254
Energy: 1.2440301946313344
Energy: 1.24447042781196
Energy: 1.2567846670833662
Energy: 1.2379628631494815
Energy: 1.2444625880729667
Energy: 1.3164985463849483
Energy: 1.2413964009343919
Energy: 1.3896062593406173
Energy: 1.2440511159694452
Energy: 1.2929901286689076
Energy: 1.2940575655868471
Energy: 1.3640130321907582
Energy: 1.3008088442479337
Energy: 1.241274954093198
Energy: 1.2940591310108838
Energy: 1.2931950930508753
Energy: 1.2931069670912236
Energy: 1.2383588962403718
Energy: 1.300968736420093
Energy: 1.2536917897095445
Energy: 1.2935458818547185
Energy: 1.2501753083318277
Energy: 1.241045580260328
Energy: 1.2537539526180446
Energy: 1.2933807419318084
Energy: 1.2534716798053975
Energy: 1.2421924655912984

minimum gb energy = 1.226396727332627 eV
minimum distance =  2.2630329398423 Angstroms
sigma value = 101


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

Energy: 1.2607604168506727
Energy: 1.2466242293082115
Energy: 1.2457425419616186
Energy: 1.265790337703139
Energy: 1.246155073105775
Energy: 1.6198747391582944
Energy: 1.1999066616337954
Energy: 1.2045259543262863
Energy: 1.2421404255465536
Energy: 1.263020940458551
Energy: 1.2161294835372751
Energy: 1.1985801975452242
Energy: 1.2006469781219602
Energy: 1.2038143155419954
Energy: 1.1938824018653023
Energy: 1.1955449103474034
Energy: 1.2038906755363876
Energy: 1.2035980311988392
Energy: 1.2161179521579735
Energy: 1.2155214913212766
Energy: 1.2042926422853664
Energy: 1.2211532793795574
Energy: 1.203207465635314
Energy: 1.217277029213039
Energy: 1.1941664431698384
Energy: 1.2007565417101074
Energy: 1.2005818210016466
Energy: 1.1993560051818197
Energy: 1.199422744023951
Energy: 1.4414324320661123
Energy: 1.2151064652829362
Energy: 1.2040073665687594
Energy: 1.1995584673030215
Energy: 1.1979334654068197
Energy: 1.1974014165930573
Energy: 1.2167470495813792
Energy: 1.2035504877085739
Energy: 1.3009235498323464
Energy: 1.311693691876906
Energy: 1.4073626982141103
Energy: 1.3024887691521516
Energy: 1.3012648723400762
Energy: 1.2042519744767122
Energy: 1.302510145726729
Energy: 1.1981290720896087
Energy: 1.1993722544397614
Energy: 1.1977370259827498
Energy: 1.2043516106614227
Energy: 1.2160990623209338
Energy: 1.3601818931571563
Energy: 1.309028139425258
Energy: 1.1980627108446127
Energy: 1.3092392005492306
Energy: 1.3000309755031778
Energy: 1.2158188237687777
Energy: 1.2035415690297402
Energy: 1.1983663112932177
Energy: 1.1979913239716198
Energy: 1.30959625952773
Energy: 1.204763069209716
Energy: 1.1999576356300208
Energy: 1.1981486905526306
Energy: 1.1981083103700374
Energy: 1.2012162162076458
Energy: 1.1997465422137272
Energy: 1.2003493577584443
Energy: 1.2143609761384597
Energy: 1.3170007986139003
Energy: 1.307264341509521
Energy: 1.197247233639335
Energy: 1.200358575433144
Energy: 1.2007118340833711
Energy: 1.2153628495289548
Energy: 1.2158558428578534
Energy: 1.2020058347882214
Energy: 1.198544879922678
Energy: 1.2049014120917398
Energy: 1.2158389890517909
Energy: 1.1995828622621634
Energy: 1.2162692130463417
Energy: 1.1981407365128844
Energy: 1.2124916120079599
Energy: 1.2159085410348534
Energy: 1.325506627862827
Energy: 1.2603827968465189
Energy: 1.198443545705649
Energy: 1.2625814933229749
Energy: 1.263855480484467
Energy: 1.245916718604092
Energy: 1.2022593672773667
Energy: 1.2683005159356673
Energy: 1.272702921710533
Energy: 1.2638686143227773
Energy: 1.2450010883822284
Energy: 1.198436803376642
Energy: 1.2712080645974406
Energy: 1.2443153657797899
Energy: 1.245861895515915
Energy: 1.1941666186379016
Energy: 1.1942627073502259
Energy: 1.290089389442242
Energy: 1.2456876616801746
Energy: 1.262131072552349
Energy: 1.1987576011641907
Energy: 1.2044265522713138
Energy: 1.2914452090936424
Energy: 1.2161244606981585
Energy: 1.222090881321045
Energy: 1.1947763595742906
Energy: 1.199887057002927
Energy: 1.2041165551973139
Energy: 1.2006616812256607
Energy: 1.2037755573737072
Energy: 1.1939563101914106
Energy: 1.2351400044430294
Energy: 1.203708062771858
Energy: 1.216588012747812
Energy: 1.215453793092987
Energy: 1.2159723923469878
Energy: 1.2167619729231578
Energy: 1.1974949077610972
Energy: 1.2005261446305693
Energy: 1.1976285678949805
Energy: 1.1951476372606178
Energy: 1.2012584114229716
Energy: 1.201161672234319
Energy: 1.198019989181676
Energy: 1.1987854937673015
Energy: 1.2040978850618262
Energy: 1.2152938386367858
Energy: 1.2005757970478017
Energy: 1.198610796334087
Energy: 1.2209236329343272
Energy: 1.4074546454776735
Energy: 1.2041863011519902
Energy: 1.2050229944191357
Energy: 1.309020130219256
Energy: 1.4079958828793175
Energy: 1.1977490170780682
Energy: 1.197743085993061
Energy: 1.3011386972194525
Energy: 1.2040308723143915
Energy: 1.3000612869695058
Energy: 1.1997256499822828
Energy: 1.1974705826404162
Energy: 1.308139854304529
Energy: 1.300654532912008
Energy: 1.2039803816963195
Energy: 1.3003584251512248
Energy: 1.1977450474206868
Energy: 1.198058786673992
Energy: 1.3110385529413275
Energy: 1.2038087001418611
Energy: 1.205304938430055
Energy: 1.204798895259064
Energy: 1.3107976177831868
Energy: 1.1982916195396436
Energy: 1.1990900559334905
Energy: 1.1981523871482014
Energy: 1.2146592155283924
Energy: 1.201187312839272
Energy: 1.1976589297966609
Energy: 1.1976600335659366
Energy: 1.2006160618873103
Energy: 1.1982120855642444
Energy: 1.2005678517998246
Energy: 1.1984517496714269
Energy: 1.1976116379984447
Energy: 1.2128379493367762
Energy: 1.2008833990354797
Energy: 1.2161519019178664
Energy: 1.2155801364238117
Energy: 1.216527119295615
Energy: 1.2000635998081894
Energy: 1.1981848578415195
Energy: 1.206247250921717
Energy: 1.265497766378892
Energy: 1.201402198483334
Energy: 1.3565650649877512
Energy: 1.2047080834703843
Energy: 1.2626703431883344
Energy: 1.2635087964512923
Energy: 1.2010731767784648
Energy: 1.2613323065902429
Energy: 1.1977697214734508
Energy: 1.2632639032631658
Energy: 1.2444138368458966
Energy: 1.3376860565837685
Energy: 1.2141098680076248
Energy: 1.2604110748955937
Energy: 1.1979558244302178
Energy: 1.2453181056790994
Energy: 1.2289192037283603
Energy: 1.2000825099479342
Energy: 1.2918843356026357
Energy: 1.2446649794516544
Energy: 1.2901680928913255
Energy: 1.2259476645923653

minimum gb energy = 1.1938824018653023 eV
minimum distance =  2.26384013002003 Angstroms
sigma value = 33


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

Energy: 0.014918056137433177
Energy: 0.09665811043265315
Energy: 0.0944446563152422
Energy: 0.09419474522559747
Energy: 0.09603596632102497
Energy: 0.015572389122371124
Energy: 0.10911954748928857
Energy: 0.10903803617856092
Energy: 0.10933135523286962
Energy: 0.10998835159830644
Energy: 0.10898384700689906
Energy: 0.10938776942403372
Energy: 0.9473173591678933
Energy: 0.09481044646143977
Energy: 0.015548668595297433
Energy: 0.016934598785883756
Energy: 0.09520313782672336
Energy: 0.09438011606990787
Energy: 0.015129893812412
Energy: 0.10903803617856092
Energy: 0.10933135523286962
Energy: 0.10998835159830644
Energy: 0.10898384700689906
Energy: 0.10938776942403372

minimum gb energy = 0.014918056137433177 eV
minimum distance =  2.45281333848525 Angstroms
sigma value = 1