Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
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=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.012772757408659465
Energy: 0.013396070968186537
Energy: 0.42638143401369816
Energy: 0.013396070969163976
Energy: 0.012772757408156784
Energy: 0.013396070969666656
Energy: 0.013396070968689219
Energy: 2.7927960424895386
Energy: 0.013396070969666656
Energy: 2.7927960424870806
Energy: 0.013396070968689219
Energy: 2.7927960424870806
Energy: 0.42638143401369816
Energy: 0.013396070968186537
Energy: 0.012772757408659465
Energy: 0.013396070969666656
Energy: 0.4263814340127207
Energy: 0.013396070968186537
Energy: 0.013396070968689219
Energy: 2.7927960424870806
Energy: 0.013396070969163976
Energy: 2.645021353981936
Energy: 0.013396070969666656
Energy: 2.792796042491493
Energy: 0.012772757408659465
Energy: 0.013396070969163976
Energy: 0.42638143401319545
Energy: 0.0133960709672091
Energy: 0.012772757408156784
Energy: 0.013396070968689219
Energy: 0.013396070967711782
Energy: 2.792796042488058
Energy: 0.013396070969163976
Energy: 2.7927960424870806
Energy: 0.013396070969666656
Energy: 2.157314285141984

minimum gb energy = 0.012772757408156784 eV
minimum distance =  2.45239180097225 Angstroms
sigma value = 1


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

Energy: 1.2684652306862136
Energy: 1.333806308683133
Energy: 1.2149790240379892
Energy: 1.333806308684343
Energy: 1.2684652306862136
Energy: 1.3338063086855532
Energy: 1.2285886762812097
Energy: 1.3021537200065043
Energy: 1.2613630590747982
Energy: 1.3021537200065043
Energy: 1.2285886762812097
Energy: 1.3021537200065043
Energy: 1.118526686745998
Energy: 1.299707829856345
Energy: 1.2609351734883276
Energy: 1.2997078298551348
Energy: 1.118526686745998
Energy: 1.2997078298551348
Energy: 1.2912013855501674
Energy: 1.2774482116686703
Energy: 1.1198288366131985
Energy: 1.2774482116674606
Energy: 1.2912013855489575
Energy: 1.2774482116698804
Energy: 1.289474109965356
Energy: 1.3218387633701454
Energy: 1.2881091075750284
Energy: 1.3218387633701454
Energy: 1.289474109962936
Energy: 1.3218387633701454
Energy: 1.2619852042861455
Energy: 1.303695816865995
Energy: 1.1244288979037613
Energy: 1.3036958168672046
Energy: 1.2619852042861455
Energy: 1.3036958168672046
Energy: 1.2618398207147772
Energy: 1.2986783689268548
Energy: 1.1244952032837414
Energy: 1.2986783689268548
Energy: 1.2618398207159873
Energy: 1.2986783689268548
Energy: 1.31139712174343
Energy: 1.3233084057842757
Energy: 1.1209140276088758
Energy: 1.3233084057842757
Energy: 1.31139712174343
Energy: 1.3233084057842757
Energy: 1.3267277532513881
Energy: 1.2709260893997287
Energy: 1.1196923224844932
Energy: 1.2709260894106185
Energy: 1.3267277532501778
Energy: 1.2709260894033587
Energy: 1.2632929084299354
Energy: 1.2973866354644819
Energy: 1.1253311424323116
Energy: 1.2973866354632717
Energy: 1.2632929084299354
Energy: 1.2973866354632717
Energy: 1.118768999131935
Energy: 1.2768850276411923
Energy: 1.2261667036850794
Energy: 1.2768850275855315
Energy: 1.1187689991331453
Energy: 1.2768850275794814
Energy: 1.1220773379028521
Energy: 1.3214222002930351
Energy: 1.1220850950384196
Energy: 1.321422200294245
Energy: 1.1220773379028521
Energy: 1.321422200294245
Energy: 1.2263459221760935
Energy: 1.2768850275758512
Energy: 1.2309327479356662
Energy: 1.2768850275964214
Energy: 1.2263459221773036
Energy: 1.276885027623042
Energy: 1.1255702796864813
Energy: 1.2976056803792948
Energy: 1.2632969480465157
Energy: 1.2976056803780844
Energy: 1.1255702796864813
Energy: 1.2976056803792948
Energy: 1.1195465856158118
Energy: 1.2712792614648891
Energy: 1.3264109953429501
Energy: 1.271279261463679
Energy: 1.1195465856170217
Energy: 1.271279261463679
Energy: 1.1208699098009012
Energy: 1.323312639721828
Energy: 1.3114092079614508
Energy: 1.3233126397206179
Energy: 1.1208699097996913
Energy: 1.323312639721828
Energy: 1.1243437777475154
Energy: 1.2984634112227984
Energy: 1.2624467240828439
Energy: 1.2984634112227984
Energy: 1.1243437777475154
Energy: 1.2984634112227984
Energy: 1.124788660818402
Energy: 1.3039310877349073
Energy: 1.2641686457295038
Energy: 1.303931087736117
Energy: 1.124788660818402
Energy: 1.3039310877349073
Energy: 1.2879723661948674
Energy: 1.3219389942052804
Energy: 1.289054190701135
Energy: 1.3219389942040702
Energy: 1.2879723661948674
Energy: 1.32193899420286
Energy: 1.119755243502518
Energy: 1.2669783489433606
Energy: 1.2889690667942788
Energy: 1.2669783489445705
Energy: 1.1197552435037277
Energy: 1.2669783489457807
Energy: 1.2608138148545451
Energy: 1.299734496364007
Energy: 1.1185108955428333
Energy: 1.299734496364007
Energy: 1.260813814855755
Energy: 1.299734496364007
Energy: 1.2630446883942499
Energy: 1.301590349619741
Energy: 1.228162399769955
Energy: 1.301590349619741
Energy: 1.2630446883942499
Energy: 1.301590349619741
Energy: 1.2149790240379892
Energy: 1.333806308683133
Energy: 1.2684652306862136
Energy: 1.333806308684343
Energy: 1.2149790240379892
Energy: 1.333806308684343

minimum gb energy = 1.1185108955428333 eV
minimum distance =  2.23471936955714 Angstroms
sigma value = 33


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

Energy: 1.6676740714878466
Energy: 1.3908579519914637
Energy: 1.273258274671566
Energy: 1.3908579519921518
Energy: 1.6676740714878466
Energy: 1.3908579519914637
Energy: 1.2356892144096325
Energy: 1.3564242220202278
Energy: 1.3890127122255913
Energy: 1.356424222020916
Energy: 1.2356892144103209
Energy: 1.3564242220202278
Energy: 1.163410928215211
Energy: 1.3874014676159543
Energy: 1.361249630359462
Energy: 1.387401467615266
Energy: 1.163410928215211
Energy: 1.387401467615266
Energy: 1.2635234914105204
Energy: 1.334354346071836
Energy: 1.3750466550470897
Energy: 1.334354346071836
Energy: 1.2635234914105204
Energy: 1.334354346071836
Energy: 1.2631820479867053
Energy: 1.387913509160399
Energy: 1.3386860858281049
Energy: 1.387913509160399
Energy: 1.2631820479880818
Energy: 1.387913509161087
Energy: 1.280868652812885
Energy: 1.366112057711899
Energy: 1.170004207972022
Energy: 1.3661120577125874
Energy: 1.280868652812197
Energy: 1.3661120577125874
Energy: 1.2809468097429926
Energy: 1.3660744676176224
Energy: 1.3514848223532148
Energy: 1.3660744676176224
Energy: 1.280946809743681
Energy: 1.3660744676169343
Energy: 1.1958063745424259
Energy: 1.3679567724688215
Energy: 1.2811480362861851
Energy: 1.3679567724688215
Energy: 1.1958063745424259
Energy: 1.3679567724688215
Energy: 1.3037722163137861
Energy: 1.333550346632329
Energy: 1.3718790207854734
Energy: 1.333550346631641
Energy: 1.3037722163110335
Energy: 1.333550346632329
Energy: 1.2328737468251618
Energy: 1.3872132518590228
Energy: 1.2378049222255851
Energy: 1.3872132518590228
Energy: 1.2328737468251618
Energy: 1.3872132518590228
Energy: 1.2351803585737067
Energy: 1.3582264193972913
Energy: 1.2845586827935789
Energy: 1.3582264193972913
Energy: 1.2351803585743952
Energy: 1.3582264193972913
Energy: 1.3599434166405522
Energy: 1.3690237240492675
Energy: 1.2351915130687132
Energy: 1.369023724049956
Energy: 1.3599434166405522
Energy: 1.369023724049956
Energy: 1.4270921552744518
Energy: 1.3380584366812796
Energy: 1.2349779040884252
Energy: 1.3380584366833441
Energy: 1.42709215527514
Energy: 1.338058436682656
Energy: 1.3065657776555584
Energy: 1.3871118854026374
Energy: 1.2925267030412306
Energy: 1.3871118854033255
Energy: 1.3065657776562467
Energy: 1.3871118854033255
Energy: 1.360979609591826
Energy: 1.374821495201896
Energy: 1.3421924528592513
Energy: 1.3748214952012077
Energy: 1.360979609591826
Energy: 1.3748214952012077
Energy: 1.361416624080534
Energy: 1.3878155630781441
Energy: 1.232060832081034
Energy: 1.3878155630774556
Energy: 1.361416624079846
Energy: 1.3878155630781441
Energy: 1.3784389187991641
Energy: 1.3665164304997253
Energy: 1.240721471955672
Energy: 1.3665164305004134
Energy: 1.3784389187991641
Energy: 1.3665164305011017
Energy: 1.3756973059032989
Energy: 1.358105784436124
Energy: 1.4384166581416873
Energy: 1.3581057844347475
Energy: 1.3756973059032989
Energy: 1.3581057844368123
Energy: 1.1701412978702188
Energy: 1.3687488536128405
Energy: 1.2811565827202742
Energy: 1.3687488536121521
Energy: 1.1701412978702188
Energy: 1.3687488536128405
Energy: 1.3157245868689735
Energy: 1.328687885699998
Energy: 1.372541437913223
Energy: 1.3286878856993098
Energy: 1.3157245868689735
Energy: 1.3286878856993098
Energy: 1.3595397941155838
Energy: 1.388069503702107
Energy: 1.216451652709529
Energy: 1.388069503702107
Energy: 1.3595397941162721
Energy: 1.388069503702107
Energy: 1.2357231728322333
Energy: 1.3586902406191221
Energy: 1.4274256784655874
Energy: 1.3586902406184336
Energy: 1.2357231728329214
Energy: 1.3586902406191221
Energy: 1.237577875530548
Energy: 1.3689889943846694
Energy: 1.3393107915048699
Energy: 1.3689889943846694
Energy: 1.2375778755312363
Energy: 1.368988994383981
Energy: 1.4574103353091235
Energy: 1.3571999924221616
Energy: 1.2830061380776607
Energy: 1.3571999924221616
Energy: 1.4574103353084353
Energy: 1.35719999242285
Energy: 1.2793925651795708
Energy: 1.366328371159359
Energy: 1.361248718131562
Energy: 1.3663283711600471
Energy: 1.2793925651802593
Energy: 1.3663283711600471
Energy: 1.2916746745616954
Energy: 1.3879090648630432
Energy: 1.189038543494729
Energy: 1.3879090648623549
Energy: 1.291674674562384
Energy: 1.3879090648623549
Energy: 1.291743629802268
Energy: 1.3881161237240334
Energy: 1.2462455965092527
Energy: 1.3881161237254098
Energy: 1.2917436298015799
Energy: 1.3881161237247217
Energy: 1.279448943967441
Energy: 1.3663130873782918
Energy: 1.3606954450648658
Energy: 1.36631308737898
Energy: 1.2794489439681291
Energy: 1.36631308737898
Energy: 1.456899122493132
Energy: 1.3574669381756028
Energy: 1.2838420878825045
Energy: 1.3574669381762914
Energy: 1.4568991224924441
Energy: 1.3574669381756028
Energy: 1.2380446853541902
Energy: 1.3690248852357287
Energy: 1.3750357721489117
Energy: 1.3690248852350406
Energy: 1.2380446853535019
Energy: 1.3690248852350406
Energy: 1.2357350418060102
Energy: 1.3586902406191221
Energy: 1.4230211078551849
Energy: 1.3586902406198103
Energy: 1.2357350418060102
Energy: 1.3586902406184336
Energy: 1.35946822532975
Energy: 1.3886473610754122
Energy: 1.216487870855729
Energy: 1.3886473610767889
Energy: 1.3594682253304384
Energy: 1.3886473610767889
Energy: 1.3161457228894333
Energy: 1.3324395328508445
Energy: 1.3715853645021612
Energy: 1.3324395328508445
Energy: 1.3161457228880566
Energy: 1.3324395328515326
Energy: 1.1701447198266428
Energy: 1.368729336193045
Energy: 1.323809004753626
Energy: 1.3687293361937334
Energy: 1.1701447198273311
Energy: 1.3687293361937334
Energy: 1.3748941706928979
Energy: 1.3578616191512678
Energy: 1.338701637550001
Energy: 1.3578616191512678
Energy: 1.374894170693586
Energy: 1.3578616191519561
Energy: 1.3736979559651923
Energy: 1.3664835947522649
Energy: 1.24007444565088
Energy: 1.3664835947516079
Energy: 1.3736979559638154
Energy: 1.3664835947516079
Energy: 1.3643436488447303
Energy: 1.3880279875980706
Energy: 1.2550619340417923
Energy: 1.3880279875973822
Energy: 1.364343648844042
Energy: 1.3880279875973822
Energy: 1.3629448428299182
Energy: 1.371898474126601
Energy: 1.3388196068674396
Energy: 1.371898474127289
Energy: 1.3629448428306066
Energy: 1.371898474127289
Energy: 1.304921803126993
Energy: 1.3871496746274292
Energy: 1.2923399907555502
Energy: 1.3871496746287746
Energy: 1.304921803126993
Energy: 1.3871496746287746
Energy: 1.4284333418350086
Energy: 1.3412349856735457
Energy: 1.2360079208562258
Energy: 1.3412349856742338
Energy: 1.428433341836385
Energy: 1.3412349856728571
Energy: 1.3599357891714525
Energy: 1.3689838618882628
Energy: 1.2561102173648768
Energy: 1.3689838618882628
Energy: 1.3599357891714525
Energy: 1.3689838618882628

minimum gb energy = 1.163410928215211 eV
minimum distance =  2.22798641858586 Angstroms
sigma value = 51


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

Energy: 1.4365261718598614
Energy: 1.4072426608492137
Energy: 1.3644752664012785
Energy: 1.4072426608476187
Energy: 1.4365261718614561
Energy: 1.4072426608476187
Energy: 1.2901837259357778
Energy: 1.4466364888939724
Energy: 1.6384260737167706
Energy: 1.4466320947940643
Energy: 1.2901837259278044
Energy: 1.4466357643352534
Energy: 1.16990805050806
Energy: 1.407586370054166
Energy: 1.5018788924921274
Energy: 1.407586370054166
Energy: 1.16990805050806
Energy: 1.407586370054166
Energy: 1.181721271267027
Energy: 1.3482455457346931
Energy: 1.5056614227180454
Energy: 1.3482455457330988
Energy: 1.181721271267027
Energy: 1.3482455457330988
Energy: 1.1806990853952772
Energy: 1.3521187872560898
Energy: 1.4220619151124239
Energy: 1.3521187872529004
Energy: 1.1806990853952772
Energy: 1.3521187872529004
Energy: 1.4374647325914882
Energy: 1.3514412318160913
Energy: 1.5491041551318274
Energy: 1.3514412318160913
Energy: 1.4374647325914882
Energy: 1.3514412318160913
Energy: 1.4381440801699188
Energy: 1.3512556540093494
Energy: 1.3059023519499686
Energy: 1.3512556540109442
Energy: 1.4381440801699188
Energy: 1.3512556540109442
Energy: 1.1819968921141952
Energy: 1.3484565614308788
Energy: 1.1618851058494282
Energy: 1.3484565614308788
Energy: 1.1819968921141952
Energy: 1.3484565614324735
Energy: 1.4380126587656044
Energy: 1.374653442440405
Energy: 1.1924852052385946
Energy: 1.3746534424388104
Energy: 1.4380126587640099
Energy: 1.3746534424388104
Energy: 1.1724825758026582
Energy: 1.436100941222205
Energy: 1.1618122795258552
Energy: 1.436100941222205
Energy: 1.1724825758010635
Energy: 1.436100941222205
Energy: 1.5094956183307446
Energy: 1.3498364397582834
Energy: 1.5189490487358803
Energy: 1.3498364397566889
Energy: 1.5094956183291501
Energy: 1.3498364397582834
Energy: 1.438729887169767
Energy: 1.4075464363764483
Energy: 1.5490430546774838
Energy: 1.407546436378043
Energy: 1.4387298871713616
Energy: 1.407546436378043
Energy: 1.3139112371277162
Energy: 1.3633558426058157
Energy: 1.5064050941478482
Energy: 1.3633558426074102
Energy: 1.3139112371277162
Energy: 1.3633558426074102
Energy: 1.1726404918738935
Energy: 1.4074895603030941
Energy: 1.5140409163045854
Energy: 1.4074895603014994
Energy: 1.1726404918738935
Energy: 1.4074895603014994
Energy: 1.1698813358374613
Energy: 1.4078847965583665
Energy: 1.5096241477857282
Energy: 1.407884796559961
Energy: 1.1698813358374613
Energy: 1.407884796559961
Energy: 1.1807119405115665
Energy: 1.3501481090228236
Energy: 1.5035380584647275
Energy: 1.3501481090276077
Energy: 1.1807119405115665
Energy: 1.3501481090276077
Energy: 1.4371709558239663
Energy: 1.408035060706195
Energy: 1.5450879227605174
Energy: 1.4080350607077896
Energy: 1.4371709558239663
Energy: 1.4080350607093843
Energy: 1.4373794191804123
Energy: 1.3517160388919884
Energy: 1.5059163752323022
Energy: 1.3517160388903937
Energy: 1.4373794191612763
Energy: 1.3517160388919884

minimum gb energy = 1.1618122795258552 eV
minimum distance =  2.20474915740989 Angstroms
sigma value = 19


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

Energy: 1.5463370585348202
Energy: 1.513321814555853
Energy: 1.4185536802934433
Energy: 1.513321814555853
Energy: 1.5463370585338743
Energy: 1.513321814555853
Energy: 1.2807151544326076
Energy: 1.4827881893069184
Energy: 1.4216240455220346
Energy: 1.4827881893069184
Energy: 1.2807151544316615
Energy: 1.4827881893069184
Energy: 1.2120972814316244
Energy: 1.461850938013896
Energy: 1.3741381431295783
Energy: 1.461850938013896
Energy: 1.2120972814316244
Energy: 1.461850938013896
Energy: 1.2687263527685722
Energy: 1.4492796811627724
Energy: 1.3765118642039378
Energy: 1.4492796811627724
Energy: 1.2687263527676262
Energy: 1.4492796811627724
Energy: 1.2978957118247936
Energy: 1.5272891567298437
Energy: 1.518434962846015
Energy: 1.5272891567298437
Energy: 1.2978957118238479
Energy: 1.5272891567298437
Energy: 1.569748621550318
Energy: 1.527347430386778
Energy: 1.297737522425129
Energy: 1.5273474303858323
Energy: 1.5697486215493723
Energy: 1.5273474303858323
Energy: 1.3763801353198875
Energy: 1.4491524677523464
Energy: 1.2328201739040137
Energy: 1.4491524677532925
Energy: 1.3763801353435352
Energy: 1.4491524677532925
Energy: 1.3742613624303093
Energy: 1.4619022342556094
Energy: 1.2120623553274166
Energy: 1.4619022342546633
Energy: 1.3742613624303093
Energy: 1.4619022342546633
Energy: 1.4215290914274175
Energy: 1.482839359483161
Energy: 1.280241458725357
Energy: 1.482839359483161
Energy: 1.4215290914274175
Energy: 1.4828393594822151
Energy: 1.4185536802924974
Energy: 1.513321814555853
Energy: 1.5463370585348202
Energy: 1.513321814554907
Energy: 1.4185536802924974
Energy: 1.513321814554907
Energy: 1.4216240455229803
Energy: 1.4827881893059727
Energy: 1.2807151544344992
Energy: 1.4827881893059727
Energy: 1.4216240455229803
Energy: 1.4827881893059727
Energy: 1.3741381431305242
Energy: 1.461850938013896
Energy: 1.2120972814316244
Energy: 1.461850938013896
Energy: 1.3741381431305242
Energy: 1.461850938013896
Energy: 1.3765118642105376
Energy: 1.4492796811627724
Energy: 1.304191305557224
Energy: 1.4492796811627724
Energy: 1.3765118642133756
Energy: 1.4492796811627724
Energy: 1.4585974578796257
Energy: 1.5272891567298437
Energy: 1.2978957118247936
Energy: 1.5272891567288978
Energy: 1.4585974578796257
Energy: 1.5272891567298437
Energy: 1.297737522424183
Energy: 1.5273474303858323
Energy: 1.569748621550318
Energy: 1.527347430386778
Energy: 1.297737522425129
Energy: 1.5273474303858323
Energy: 1.2328201739040137
Energy: 1.4491524677523464
Energy: 1.3763801353548863
Energy: 1.4491524677523464
Energy: 1.2328201739040137
Energy: 1.4491524677523464
Energy: 1.2120623553274166
Energy: 1.4619022342556094
Energy: 1.3742613624312552
Energy: 1.4619022342556094
Energy: 1.2120623553274166
Energy: 1.4619022342556094
Energy: 1.2802414587272488
Energy: 1.482839359483161
Energy: 1.4215290914283636
Energy: 1.4828393594822151
Energy: 1.2802414587272488
Energy: 1.4828393594822151
Energy: 1.5463370585338743
Energy: 1.513321814554907
Energy: 1.4435574593221814
Energy: 1.513321814554907
Energy: 1.5463370585348202
Energy: 1.513321814554907
Energy: 1.2807151544316615
Energy: 1.4827881893069184
Energy: 1.4216240455229803
Energy: 1.4827881893069184
Energy: 1.2807151544326076
Energy: 1.4827881893069184
Energy: 1.21209728143257
Energy: 1.461850938013896
Energy: 1.3741381431305242
Energy: 1.461850938013896
Energy: 1.21209728143257
Energy: 1.461850938013896
Energy: 1.3041913055931686
Energy: 1.4492796811627724
Energy: 1.3765118642464824
Energy: 1.4492796811627724
Energy: 1.3041913055733043
Energy: 1.4492796811627724
Energy: 1.2978957118238479
Energy: 1.5272891567298437
Energy: 1.4585974578767877
Energy: 1.5272891567298437
Energy: 1.2978957118247936
Energy: 1.5272891567298437
Energy: 1.5697486215493723
Energy: 1.5273474303858323
Energy: 1.297737522425129
Energy: 1.527347430386778
Energy: 1.569748621550318
Energy: 1.5273474303858323
Energy: 1.3763801353094824
Energy: 1.4491524677523464
Energy: 1.2328201739040137
Energy: 1.4491524677514007
Energy: 1.3763801352886937
Energy: 1.4491524677514007
Energy: 1.3742613624312552
Energy: 1.4619022342546633
Energy: 1.2120623553274166
Energy: 1.4619022342565549
Energy: 1.3742613624312552
Energy: 1.4619022342556094
Energy: 1.4215290914274175
Energy: 1.4828393594822151
Energy: 1.280241458725357
Energy: 1.482839359483161
Energy: 1.4215290914274175
Energy: 1.482839359483161
Energy: 1.3536135140474335
Energy: 1.513321814554907
Energy: 1.5463370585348202
Energy: 1.513321814554907
Energy: 1.3536135140464876
Energy: 1.513321814554907
Energy: 1.4216240455220346
Energy: 1.4827881893059727
Energy: 1.2807151544344992
Energy: 1.4827881893059727
Energy: 1.4216240455220346
Energy: 1.4827881893059727
Energy: 1.3741381431305242
Energy: 1.461850938013896
Energy: 1.2120972814316244
Energy: 1.461850938013896
Energy: 1.3741381431295783
Energy: 1.461850938013896

minimum gb energy = 1.2120623553274166 eV
minimum distance =  2.19725043027646 Angstroms
sigma value = 27


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

Energy: 1.1716960322001047
Energy: 1.3584751057453814
Energy: 1.5014873691995663
Energy: 1.3584751057446705
Energy: 1.1716960322001047
Energy: 1.3584751057446705
Energy: 1.163174278634214
Energy: 1.4372452438764813
Energy: 1.2098559762911576
Energy: 1.4372452438762444
Energy: 1.1631742786339772
Energy: 1.4372452438760075
Energy: 1.1928353881229983
Energy: 1.4977896133570265
Energy: 1.207684246252621
Energy: 1.4977896133565527
Energy: 1.1928353881229983
Energy: 1.4977896133583957
Energy: 1.1694506570876368
Energy: 1.3583055233121584
Energy: 1.191311749289605
Energy: 1.3583055233107628
Energy: 1.1694506570883476
Energy: 1.3583055233107628
Energy: 1.2093480888179904
Energy: 1.365330763531899
Energy: 1.1934706381299243
Energy: 1.3653307635312146
Energy: 1.2093480888179904
Energy: 1.3653307635309775
Energy: 1.191099167076007
Energy: 1.509254132976903
Energy: 1.2074234862340272
Energy: 1.5092541329771398
Energy: 1.191099167076007
Energy: 1.509254132976903
Energy: 1.2074033430598032
Energy: 1.3831467606633896
Energy: 1.1913034786857633
Energy: 1.383146760664548
Energy: 1.2074033430595663
Energy: 1.3831467606640744
Energy: 1.1692331249637806
Energy: 1.3653325596063577
Energy: 1.2112482095419967
Energy: 1.3653325596063577
Energy: 1.1692331249642547
Energy: 1.365332559606805
Energy: 1.1912708948231638
Energy: 1.440754375658497
Energy: 1.3343731025055265
Energy: 1.4407543756589447
Energy: 1.1912708948231638
Energy: 1.4407543756591814
Energy: 1.1911610413400378
Energy: 1.4553108848023815
Energy: 1.191154685531295
Energy: 1.4553108848023815
Energy: 1.191161041339564
Energy: 1.4553108848021445
Energy: 1.207297592311463
Energy: 1.4402269362827966
Energy: 1.1912170871391428
Energy: 1.4402269362830336
Energy: 1.2072975923119107
Energy: 1.4402269362837181
Energy: 1.2111506810475587
Energy: 1.3652917479377595
Energy: 1.1691950869862435
Energy: 1.3652917479377595
Energy: 1.211150681047085
Energy: 1.3652917479377595

minimum gb energy = 1.1631742786339772 eV
minimum distance =  2.23073225124337 Angstroms
sigma value = 9


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

Energy: 1.5964531825264967
Energy: 1.5554906586767032
Energy: 1.4612584512429214
Energy: 1.5554906586760524
Energy: 1.5964531825258457
Energy: 1.5554906586760524
Energy: 1.4153870063654765
Energy: 1.4900820594264246
Energy: 1.314445889023275
Energy: 1.4900820594270756
Energy: 1.4153870063648257
Energy: 1.4900820594264246
Energy: 1.2845066814890813
Energy: 1.5088422081670518
Energy: 1.305082153130497
Energy: 1.508842208166401
Energy: 1.2845066814897323
Energy: 1.508842208166401
Energy: 1.239824149316893
Energy: 1.4746459064990503
Energy: 1.21469398173611
Energy: 1.4746459064990503
Energy: 1.2398241493162423
Energy: 1.4746459064983994
Energy: 1.2384455276268547
Energy: 1.4743773186780682
Energy: 1.215289391556394
Energy: 1.4743773186780682
Energy: 1.2384455276268547
Energy: 1.4743773186780682
Energy: 1.2208513881243728
Energy: 1.4246136973071233
Energy: 1.286523432871293
Energy: 1.4246136973077745
Energy: 1.2208513881243728
Energy: 1.4246136973077745
Energy: 1.476853447852011
Energy: 1.5078763096245553
Energy: 1.3098325398764257
Energy: 1.5078763096245553
Energy: 1.476853447852011
Energy: 1.5078763096239043
Energy: 1.4201721687459192
Energy: 1.4732832013198842
Energy: 1.3952429135801787
Energy: 1.4732832013198842
Energy: 1.4201721687459192
Energy: 1.4732832013192332
Energy: 1.4115214919792394
Energy: 1.5007239512659172
Energy: 1.3189993563451814
Energy: 1.5007239512665682
Energy: 1.4115214919785883
Energy: 1.5007239512665682
Energy: 1.4227396023096022
Energy: 1.524329484093461
Energy: 1.2378957685791059
Energy: 1.524329484093461
Energy: 1.4227396023096022
Energy: 1.524329484093461
Energy: 1.4609675031581795
Energy: 1.4967427837676863
Energy: 1.3189274226243521
Energy: 1.4967427837689882
Energy: 1.4609675031627365
Energy: 1.4967427837689882
Energy: 1.2918225176098688
Energy: 1.4727044797246396
Energy: 1.2908540434836078
Energy: 1.4727044797252906
Energy: 1.2918225176098688
Energy: 1.4727044797252906
Energy: 1.2248225467810534
Energy: 1.424592363855677
Energy: 1.220484305090831
Energy: 1.4245923638569788
Energy: 1.2248225467804024
Energy: 1.4245923638563278
Energy: 1.4781944121199417
Energy: 1.5448208887566095
Energy: 1.221812399537381
Energy: 1.5448208887572603
Energy: 1.4781944121199417
Energy: 1.5448208887579113
Energy: 1.294629285397704
Energy: 1.4954324878346203
Energy: 1.3437391831125436
Energy: 1.4954324878359226
Energy: 1.2946292853970527
Energy: 1.4954324878359226
Energy: 1.3616541915158518
Energy: 1.4772110233016122
Energy: 1.2905066784562493
Energy: 1.4772110233022633
Energy: 1.3616541915171536
Energy: 1.4772110233016122
Energy: 1.4250434270490362
Energy: 1.5175169313859287
Energy: 1.3133029261660438
Energy: 1.5175169313865797
Energy: 1.425043427049687
Energy: 1.5175169313872308
Energy: 1.2893182627233672
Energy: 1.428186755830108
Energy: 1.307958540200798
Energy: 1.42818675583141
Energy: 1.2893182627233672
Energy: 1.428186755830759
Energy: 1.4224767850644255
Energy: 1.5397503992587596
Energy: 1.2254596529077977
Energy: 1.5397503992594104
Energy: 1.4224767850644255
Energy: 1.5397503992594104
Energy: 1.2200467810050422
Energy: 1.5826277025521278
Energy: 1.222281192060456
Energy: 1.5779363556748514
Energy: 1.22004678100374
Energy: 1.5826277025534299
Energy: 1.2253287095729728
Energy: 1.5398167444881972
Energy: 1.4223751677434417
Energy: 1.5398167444888482
Energy: 1.2253287095729728
Energy: 1.5398167444888482
Energy: 1.308013278603718
Energy: 1.430480463109089
Energy: 1.289660978623808
Energy: 1.430480463108438
Energy: 1.3080132786030672
Energy: 1.4304804631097399
Energy: 1.3133589892605153
Energy: 1.5173805291720672
Energy: 1.4248507701934747
Energy: 1.517380529172718
Energy: 1.313358989259864
Energy: 1.517380529172718
Energy: 1.2916043958470054
Energy: 1.4774978215314296
Energy: 1.362123299002495
Energy: 1.4774978215320806
Energy: 1.2916043958476564
Energy: 1.4774978215320806
Energy: 1.350278634243502
Energy: 1.4956094471230297
Energy: 1.2942742704033257
Energy: 1.4956094471236807
Energy: 1.350278634243502
Energy: 1.4956094471249828
Energy: 1.2218450087001838
Energy: 1.5453702462272054
Energy: 1.47813842311404
Energy: 1.5453702462278565
Energy: 1.2218450087001838
Energy: 1.5453702462278565
Energy: 1.220658538677521
Energy: 1.4251252891998527
Energy: 1.2242853705377816
Energy: 1.4251252892005037
Energy: 1.2206585386781723
Energy: 1.4251252892011548
Energy: 1.2851227946728725
Energy: 1.472673933994201
Energy: 1.2918487102826086
Energy: 1.472673933994852
Energy: 1.2851227946735235
Energy: 1.472673933994852
Energy: 1.3189253571538446
Energy: 1.4968368189215235
Energy: 1.3365689781265409
Energy: 1.4968368189221744
Energy: 1.3189253571531936
Energy: 1.4968368189221744
Energy: 1.238470308094243
Energy: 1.5248921127803932
Energy: 1.4228382880824997
Energy: 1.5248921127803932
Energy: 1.238470308093592
Energy: 1.5248921127810442
Energy: 1.3169395502569838
Energy: 1.5007239512665682
Energy: 1.4119974296009778
Energy: 1.5007239512665682
Energy: 1.3169395502569838
Energy: 1.5007239512665682
Energy: 1.3391622071715399
Energy: 1.4732522452963785
Energy: 1.4200693287533783
Energy: 1.4732522452970298
Energy: 1.3391622071760971
Energy: 1.4732522452976806
Energy: 1.3133534561825906
Energy: 1.5078896017001442
Energy: 1.5568032484958658
Energy: 1.5078896017001442
Energy: 1.3133534561812887
Energy: 1.5078896017001442
Energy: 1.3147625001895387
Energy: 1.4256990953758555
Energy: 1.220972850944788
Energy: 1.4256990953765065
Energy: 1.3147625001882661
Energy: 1.4256990953771576
Energy: 1.214224540842441
Energy: 1.4741966320906315
Energy: 1.2386185677306247
Energy: 1.4741966320899804
Energy: 1.214224540843092
Energy: 1.4741966320899804
Energy: 1.2155876228012674
Energy: 1.476389780497896
Energy: 1.2398230129872072
Energy: 1.476389780498547
Energy: 1.2155876228006164
Energy: 1.476389780498547
Energy: 1.3053294850381314
Energy: 1.5087021157641416
Energy: 1.2839127953018274
Energy: 1.5087021157641416
Energy: 1.3053294850381314
Energy: 1.5087021157641416
Energy: 1.3156165283004275
Energy: 1.4900820594264246
Energy: 1.4156444618686783
Energy: 1.4900820594257735
Energy: 1.3156165282991257
Energy: 1.4900820594264246
Energy: 1.4612584512409683
Energy: 1.5554906586760524
Energy: 1.59645318252842
Energy: 1.5554906586760524
Energy: 1.4612584512403173
Energy: 1.5554906586760524
Energy: 1.3144458890226243
Energy: 1.5069737044941112
Energy: 1.4153870063667784
Energy: 1.4900820594257735
Energy: 1.3144458890239261
Energy: 1.526237104510819
Energy: 1.3050821531298458
Energy: 1.5088422081676733
Energy: 1.2845066814890813
Energy: 1.5088422081683246
Energy: 1.3050821531291947
Energy: 1.5088422081683246
Energy: 1.214693981738063
Energy: 1.4746459064983994
Energy: 1.2398241493162423
Energy: 1.4746459064990503
Energy: 1.214693981736761
Energy: 1.4746459064990503
Energy: 1.215289391556394
Energy: 1.4743773186767661
Energy: 1.2384455276262036
Energy: 1.4743773186787192
Energy: 1.2152893915544407
Energy: 1.4743773186793703

minimum gb energy = 1.214224540842441 eV
minimum distance =  2.18515848230923 Angstroms
sigma value = 57


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

Energy: 1.3747090754378017
Energy: 1.423192967973701
Energy: 1.4536893246381566
Energy: 1.4231929679722193
Energy: 1.3747090754363196
Energy: 1.4231929679722193
Energy: 1.6875268269429342
Energy: 1.4526163296773955
Energy: 1.146773537874213
Energy: 1.4526163296818415
Energy: 1.6875268269429342
Energy: 1.4526163296773955
Energy: 1.1149377699610028
Energy: 1.3987827083135425
Energy: 1.2581065835191643
Energy: 1.3987827083150248
Energy: 1.114937769959521
Energy: 1.3987827083150248
Energy: 1.1361256614043285
Energy: 1.397058485648464
Energy: 1.1375789353025145
Energy: 1.397058485648464
Energy: 1.1361256614043285
Energy: 1.397058485648464
Energy: 1.1364564281329514
Energy: 1.4251203020337895
Energy: 1.1367337048053496
Energy: 1.4251203020323076
Energy: 1.1364564281329514
Energy: 1.4251203020337895
Energy: 1.7090001186916763
Energy: 1.3955213907306658
Energy: 1.1147910058577615
Energy: 1.3955213907306658
Energy: 1.7090001186916763
Energy: 1.3955213907306658
Energy: 1.7092708645081853
Energy: 1.3984998767345098
Energy: 1.114540036588347
Energy: 1.3984998767359917
Energy: 1.7092708645081853
Energy: 1.3984998767345098
Energy: 1.1364645947713399
Energy: 1.4227504039580607
Energy: 1.1376469803353633
Energy: 1.4227504039595424
Energy: 1.1364645947713399
Energy: 1.4227504039550967
Energy: 1.1361815999630658
Energy: 1.3948876382902746
Energy: 1.1363434458032633
Energy: 1.3948876382858288
Energy: 1.136181599964548
Energy: 1.3948876382887927
Energy: 1.114926971747298
Energy: 1.3961971571647356
Energy: 1.2586673947852944
Energy: 1.3961971571647356
Energy: 1.114926971747298
Energy: 1.3961971571647356
Energy: 1.6875011963148412
Energy: 1.4526163296759138
Energy: 1.1372308951005792
Energy: 1.4526163296818415
Energy: 1.6875011963148412
Energy: 1.4526163296773955
Energy: 1.3747090754363196
Energy: 1.4231929679722193
Energy: 1.364107515167023
Energy: 1.4231929679722193
Energy: 1.3747090754363196
Energy: 1.4231929679707371
Energy: 1.6875268269429342
Energy: 1.4526163296773955
Energy: 1.146773537874213
Energy: 1.4526163296788777
Energy: 1.6875268269429342
Energy: 1.4526163296773955
Energy: 1.114937769959521
Energy: 1.3987827083150248
Energy: 1.258106583520646
Energy: 1.3987827083135425
Energy: 1.114937769959521
Energy: 1.3987827083135425
Energy: 1.1361256614043285
Energy: 1.397058485648464
Energy: 1.2051799435516615
Energy: 1.3970584856469823
Energy: 1.1361256614058104
Energy: 1.397058485648464
Energy: 1.1364564281329514
Energy: 1.4251203020337895
Energy: 1.1367337048038677
Energy: 1.4251203020337895
Energy: 1.1364564281329514
Energy: 1.4251203020323076
Energy: 1.7090001186916763
Energy: 1.3955213907306658
Energy: 1.1147910058577615
Energy: 1.3955213907306658
Energy: 1.7090001186916763
Energy: 1.3955213907306658
Energy: 1.7092708645081853
Energy: 1.3984998767359917
Energy: 1.114540036588347
Energy: 1.3984998767359917
Energy: 1.7092708645081853
Energy: 1.3984998767345098
Energy: 1.136464594772822
Energy: 1.4227504039565786
Energy: 1.2095978633377564
Energy: 1.4227504039610246
Energy: 1.1364645947713399
Energy: 1.4227504039565786

minimum gb energy = 1.114540036588347 eV
minimum distance =  2.1841836433112 Angstroms
sigma value = 11


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

Energy: 1.243338466724684
Energy: 1.3644206668259522
Energy: 1.3458791644318342
Energy: 1.3644206668259522
Energy: 1.243338466724684
Energy: 1.3644206668259522
Energy: 1.7197718663980324
Energy: 1.311002193796037
Energy: 1.0536073330822568
Energy: 1.311002193796037
Energy: 1.7197718663980324
Energy: 1.311002193798208
Energy: 1.2277152579770316
Energy: 1.295075370604178
Energy: 1.199287114114823
Energy: 1.2950753706063491
Energy: 1.2277152579770316
Energy: 1.2950753706052633
Energy: 1.2522986916881846
Energy: 1.28524214385587
Energy: 1.0545464981989472
Energy: 1.28524214385587
Energy: 1.2522986916860135
Energy: 1.28524214385587
Energy: 1.0527487369611217
Energy: 1.3646849755634314
Energy: 1.0980587995961615
Energy: 1.3646849755666879
Energy: 1.0527487369611217
Energy: 1.364684975564517
Energy: 1.0663897135402738
Energy: 1.349732798088068
Energy: 1.0531959773903405
Energy: 1.3497327980869824
Energy: 1.0663897135402738
Energy: 1.3497327980869824
Energy: 1.0653758951839138
Energy: 1.3826806286053868
Energy: 1.0633866443161595
Energy: 1.3826806286064726
Energy: 1.0653758951839138
Energy: 1.3826806286064726
Energy: 1.467200739164683
Energy: 1.3605745985722335
Energy: 1.075491392240289
Energy: 1.3605745985700626
Energy: 1.4672007391657196
Energy: 1.3605745985700626
Energy: 1.465700508524894
Energy: 1.357804946732048
Energy: 1.396155384890713
Energy: 1.3578049467331337
Energy: 1.465700508524894
Energy: 1.3578049467331337
Energy: 1.0663620005963774
Energy: 1.2963204704093378
Energy: 1.0530559997599387
Energy: 1.296320470414766
Energy: 1.0663620005963774
Energy: 1.2963204704115092
Energy: 1.065658595834451
Energy: 1.3467467636658654
Energy: 1.0648687297128614
Energy: 1.3467467636636943
Energy: 1.065658595834451
Energy: 1.3467467636636943
Energy: 1.0536920763367315
Energy: 1.3603092731695132
Energy: 1.0543866622446638
Energy: 1.3603092731705986
Energy: 1.0536920763367315
Energy: 1.3603092731705986
Energy: 1.4687299513841532
Energy: 1.1933448213107232
Energy: 1.0982059773932853
Energy: 1.1933448213118085
Energy: 1.46872995138741
Energy: 1.1933448213118085
Energy: 1.056629496870671
Energy: 1.2986079857107367
Energy: 1.0779023360927513
Energy: 1.2986079857129076
Energy: 1.0566294972396155
Energy: 1.2986079857129076
Energy: 1.716412105275471
Energy: 1.3111785860689034
Energy: 1.0642008731200732
Energy: 1.3111785860667324
Energy: 1.716412105275471
Energy: 1.3111785860678178
Energy: 1.2365412388743278
Energy: 1.3599970358970113
Energy: 1.2726627284725502
Energy: 1.3599970358948401
Energy: 1.2365412388743278
Energy: 1.359997035895926
Energy: 1.728934353347801
Energy: 1.311718552005575
Energy: 1.0692111842890049
Energy: 1.3117185519979757
Energy: 1.7289343533456298
Energy: 1.311718552007746
Energy: 1.0598104783770168
Energy: 1.2985117290313362
Energy: 1.083982903860985
Energy: 1.2985117290313362
Energy: 1.0598104784084985
Energy: 1.2985117290313362
Energy: 1.2519996927998642
Energy: 1.28498246815949
Energy: 1.052335378362353
Energy: 1.2849824681584043
Energy: 1.2519996927987787
Energy: 1.2849824681584043
Energy: 1.0533133800379157
Energy: 1.3647085854853265
Energy: 1.0711319832355717
Energy: 1.364708585486412
Energy: 1.0533133800368302
Energy: 1.3647085854853265
Energy: 1.5115362530457424
Energy: 1.3468571488531629
Energy: 1.0576161896141993
Energy: 1.3468571488531629
Energy: 1.5115362530457424
Energy: 1.3468571488531629
Energy: 1.0664655459039463
Energy: 1.376773046665321
Energy: 1.0611505679466122
Energy: 1.376773046665321
Energy: 1.0664655459028611
Energy: 1.376773046665321
Energy: 1.4706129130549561
Energy: 1.3576302182317392
Energy: 1.0744050909416005
Energy: 1.3576302182317392
Energy: 1.4706129130560415
Energy: 1.3576302182317392
Energy: 1.0541626293888493
Energy: 1.3654124468560795
Energy: 1.477246749927566
Energy: 1.3654124468560795
Energy: 1.0541626293888493
Energy: 1.3654124468560795
Energy: 1.0679144474408244
Energy: 1.2931344964831237
Energy: 1.056316065980724
Energy: 1.2931344964852949
Energy: 1.0679144474408244
Energy: 1.2931344964852949
Energy: 1.0665711040447345
Energy: 1.3452083866816584
Energy: 1.0607791357476988
Energy: 1.3452083866805729
Energy: 1.0665711040436487
Energy: 1.3452083866805729

minimum gb energy = 1.052335378362353 eV
minimum distance =  2.23883956631371 Angstroms
sigma value = 41


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

Energy: 1.536774793038561
Energy: 1.2958416691661598
Energy: 1.2845808995211168
Energy: 1.295841669163593
Energy: 1.536774793041128
Energy: 1.2958416691653043
Energy: 1.9397958051094548
Energy: 1.193142742002107
Energy: 0.9831956142437231
Energy: 1.1931427420029623
Energy: 1.9397958051094548
Energy: 1.1931427420029623
Energy: 1.1245381346163337
Energy: 1.2516007971796486
Energy: 1.014890085183334
Energy: 1.2516007971796486
Energy: 1.1245381346163337
Energy: 1.2516007971796486
Energy: 1.4949324013930845
Energy: 1.1676636635784619
Energy: 0.9830559819585573
Energy: 1.1676636635776065
Energy: 1.4949324013922678
Energy: 1.1676636635784619
Energy: 1.1040859619168555
Energy: 1.1796854753540844
Energy: 0.9953375533771835
Energy: 1.17968547535494
Energy: 1.1040859619160002
Energy: 1.1796854753540844
Energy: 1.2920491699413055
Energy: 1.2308103573430107
Energy: 0.9822560653909482
Energy: 1.2308103573430107
Energy: 1.2920491699413055
Energy: 1.2308103573430107
Energy: 0.9833282825370696
Energy: 1.2394372435437548
Energy: 0.9850717441621492
Energy: 1.2394372435437548
Energy: 0.9833282825370696
Energy: 1.2394372435437548
Energy: 1.3391795016683288
Energy: 1.2394552208658662
Energy: 1.0027104629111245
Energy: 1.2394552208658662
Energy: 1.3391795016683288
Energy: 1.2394552208658662
Energy: 0.9986468887467915
Energy: 1.1805784701349291
Energy: 1.293782062423914
Energy: 1.1805784701349291
Energy: 0.9986468887467915
Energy: 1.1805784701357847
Energy: 1.3039291728027547
Energy: 1.2394465873300105
Energy: 1.2936634987883722
Energy: 1.2394465873300105
Energy: 1.3039291728027547
Energy: 1.2394465873300105
Energy: 1.297358741948515
Energy: 1.2969844524523102
Energy: 1.2974050707350289
Energy: 1.2969844524531657
Energy: 1.2973587419476593
Energy: 1.2969844524531657
Energy: 0.9946262145945395
Energy: 1.2394628527065845
Energy: 1.004349945396475
Energy: 1.239462852705729
Energy: 0.9946262145945395
Energy: 1.239462852705729
Energy: 0.9985501706205295
Energy: 1.2310356543137773
Energy: 1.2786384815077092
Energy: 1.2310356543137773
Energy: 0.9985501706205295
Energy: 1.2310356543137773
Energy: 0.9823149534509256
Energy: 1.2394749391694815
Energy: 0.9826860376947383
Energy: 1.239474939170337
Energy: 0.9823149534509256
Energy: 1.2394749391711928
Energy: 1.3002584910600126
Energy: 1.2313182151610378
Energy: 0.9843133183482354
Energy: 1.2313182151610378
Energy: 1.300258491059157
Energy: 1.2313182151610378
Energy: 0.9859566338654205
Energy: 1.2403003975427827
Energy: 0.9828562781509721
Energy: 1.2403003975427827
Energy: 0.9859566338628537
Energy: 1.2403003975427827
Energy: 1.2789118396706682
Energy: 1.257357238856775
Energy: 0.9964132210496963
Energy: 1.2573572388559195
Energy: 1.2789118396698127
Energy: 1.2573572388559195
Energy: 1.0057679313448635
Energy: 1.2394085698886317
Energy: 0.9942916325795932
Energy: 1.2394085698886317
Energy: 1.005767931348286
Energy: 1.2394085698886317
Energy: 1.709438352763671
Energy: 1.195052622882854
Energy: 0.9844239145152054
Energy: 1.1950526227545901
Energy: 1.7094383527628154
Energy: 1.195052622966665
Energy: 1.2939677516803554
Energy: 1.2394115060971471
Energy: 1.2964333700652906
Energy: 1.2394115060971471
Energy: 1.2939677516837778
Energy: 1.2394115060954358
Energy: 1.6950520228605186
Energy: 1.1936697153613143
Energy: 0.9960328008441106
Energy: 1.1936697153604585
Energy: 1.6950520228613741
Energy: 1.1936697153604585
Energy: 1.0067218464271541
Energy: 1.239871934035591
Energy: 0.9957572686518007
Energy: 1.239871934035591
Energy: 1.0067218464245873
Energy: 1.239871934035591
Energy: 1.4929428363030468
Energy: 1.1681961725716166
Energy: 0.984633359901725
Energy: 1.1681961725716166
Energy: 1.4929428363030468
Energy: 1.1681961725716166
Energy: 0.985666591732261
Energy: 1.2305832081226484
Energy: 1.1442048230297006
Energy: 1.2305832081226484
Energy: 0.9856665917339722
Energy: 1.2305832081226484
Energy: 1.143319955080954
Energy: 1.2303008013221493
Energy: 0.9830452234057667
Energy: 1.2303008013230048
Energy: 1.1433199550800985
Energy: 1.2303008013230048
Energy: 0.9821786455926699
Energy: 1.1676453161928098
Energy: 1.1304073275846342
Energy: 1.1901863679495939
Energy: 0.9821786455926699
Energy: 1.167645316193665
Energy: 1.3400833945063377
Energy: 1.239341320054406
Energy: 1.0035725840581056
Energy: 1.239341320054406
Energy: 1.3400833945054818
Energy: 1.239341320054406
Energy: 0.9948944167673657
Energy: 1.2426976120986335
Energy: 1.4855676655663614
Energy: 1.2426976120986335
Energy: 0.9948944167673657
Energy: 1.232583208332954
Energy: 1.305236447482129
Energy: 1.2391439956213464
Energy: 1.2924914273211443
Energy: 1.2391439956213464
Energy: 1.3052364474812734
Energy: 1.2391439956213464
Energy: 0.9824667449431682
Energy: 1.2272770975553209
Energy: 1.2930375279185082
Energy: 1.2344623075337224
Energy: 0.9824667449431682
Energy: 1.2272770975570322
Energy: 0.9954387978726282
Energy: 1.2393283505305714
Energy: 1.003663001431766
Energy: 1.239328350529716
Energy: 0.9954387978726282
Energy: 1.239328350529716
Energy: 0.995020911876092
Energy: 1.2990755045284905
Energy: 1.2821275213447425
Energy: 1.299075504527635
Energy: 0.9950209118769474
Energy: 1.299075504527635
Energy: 0.9846994914600401
Energy: 1.2393601927347977
Energy: 0.9850338445142554
Energy: 1.2393601927347977
Energy: 0.9846994914600401
Energy: 1.2393601927347977

minimum gb energy = 0.9821786455926699 eV
minimum distance =  2.23504451814877 Angstroms
sigma value = 33


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

Energy: 1.2708274614497617
Energy: 1.1224290908716708
Energy: 1.1809005345084198
Energy: 1.1224290908728172
Energy: 1.2708274614509627
Energy: 1.1224290908728172
Energy: 1.8457526154054302
Energy: 1.0309522324823193
Energy: 0.8861854397860259
Energy: 1.030952232479317
Energy: 1.8457526154054302
Energy: 1.0309522324805178
Energy: 1.2632577144557642
Energy: 1.1204570996694225
Energy: 1.0356662502748695
Energy: 1.1204570996700227
Energy: 1.2632577144551635
Energy: 1.1204570996700227
Energy: 1.7047101869532375
Energy: 1.014672728279602
Energy: 0.8862199478275805
Energy: 1.014672728279602
Energy: 1.7047101869532375
Energy: 1.014672728279602
Energy: 0.9423563221724089
Energy: 1.0948590469762627
Energy: 0.8927723759186174
Energy: 1.0948590469762627
Energy: 0.9423563221754114
Energy: 1.0948590469762627
Energy: 1.3669274289306703
Energy: 1.0657412137866649
Energy: 0.886136931495028
Energy: 1.0657412137854638
Energy: 1.366927428931871
Energy: 1.0657412137854638
Energy: 0.923204662772087
Energy: 1.079707579008328
Energy: 0.8834919355350265
Energy: 1.079707579008328
Energy: 0.9232046627732878
Energy: 1.079707579008328
Energy: 1.2258595454066137
Energy: 1.069253115630521
Energy: 0.8944486366799692
Energy: 1.069253115631722
Energy: 1.2258595454078147
Energy: 1.069253115631722
Energy: 0.9017535716871462
Energy: 1.0943471219227572
Energy: 1.0656983609184618
Energy: 1.0943471219233576
Energy: 0.9017535716871462
Energy: 1.0943471219227572
Energy: 1.085500951043551
Energy: 1.0980190481459697
Energy: 1.0875340555572723
Energy: 1.0980190481459697
Energy: 1.085500951043551
Energy: 1.09801904814657
Energy: 0.8958753233536033
Energy: 1.0798654645790078
Energy: 1.115785397883334
Energy: 1.0798654645796084
Energy: 0.8958753233542037
Energy: 1.0798654645796084
Energy: 1.3867215185571327
Energy: 1.1138949350808631
Energy: 1.1126737766652317
Energy: 1.1138949350784613
Energy: 1.386721518555932
Energy: 1.1138949350790617
Energy: 1.0900639924136606
Energy: 1.0944283537265471
Energy: 1.3180601604509536
Energy: 1.0944283537283486
Energy: 1.090063992414261
Energy: 1.0944283537277484
Energy: 1.0980422254796016
Energy: 1.1150329631569873
Energy: 1.3935061084400133
Energy: 1.1150329631581881
Energy: 1.0980422254790012
Energy: 1.1150329631587887
Energy: 1.0983177459463438
Energy: 1.0711833671839872
Energy: 1.3944422947597952
Energy: 1.0711833671851883
Energy: 1.0983177459469442
Energy: 1.0711833671833868
Energy: 1.0939337187936833
Energy: 1.1145553193077868
Energy: 1.1168824355299476
Energy: 1.1145553193083872
Energy: 1.0939337187924822
Energy: 1.1145553193083872
Energy: 1.0871955838842837
Energy: 1.0952510035146146
Energy: 1.3140953862952696
Energy: 1.0952510035152148
Energy: 1.0871955838842837
Energy: 1.0952510035152148
Energy: 0.88309209737441
Energy: 1.1141135219363443
Energy: 1.1026556312539302
Energy: 1.1141135219363443
Energy: 0.8830920973750106
Energy: 1.1141135219363443
Energy: 1.0974982879264044
Energy: 1.0927109551010388
Energy: 1.1045138058786377
Energy: 1.0927109551022396
Energy: 1.0974982879264044
Energy: 1.0927109551016392
Energy: 0.8919177002119079
Energy: 1.1148012522368382
Energy: 0.8951780421355917
Energy: 1.1148012522344362
Energy: 0.8919177002113072
Energy: 1.1148012522344362
Energy: 1.0906300958703534
Energy: 1.0927481069499971
Energy: 1.0617992233183533
Energy: 1.0927481069505978
Energy: 1.0906300958697528
Energy: 1.0927481069505978
Energy: 0.8966971265615177
Energy: 1.1142883474600314
Energy: 0.8864247938975779
Energy: 1.1142883474612322
Energy: 0.8966971265609172
Energy: 1.1142883474606318
Energy: 1.3747831716982937
Energy: 1.1036733329739994
Energy: 0.883162856554353
Energy: 1.1036733329752
Energy: 1.3747831716994947
Energy: 1.103673332976401
Energy: 0.923854323310392
Energy: 1.1141553783577112
Energy: 0.8861695741740084
Energy: 1.1141553783583116
Energy: 0.923854323309191
Energy: 1.1141553783589122
Energy: 1.3705175762619148
Energy: 1.0945193167933993
Energy: 1.0505068736885141
Energy: 1.0945193167933993
Energy: 1.3705175762631159
Energy: 1.0945193167933993
Energy: 1.1245524128142677
Energy: 1.1142298895822729
Energy: 0.8903894044830571
Energy: 1.1142298895828735
Energy: 1.124552412809464
Energy: 1.1142298895828735
Energy: 1.8463059489757248
Energy: 1.0444801147216722
Energy: 0.8831491366742292
Energy: 1.044480114722873
Energy: 1.8463059489757248
Energy: 1.0444801147222724
Energy: 1.1408284384935274
Energy: 1.1141695942084573
Energy: 1.1071585473543197
Energy: 1.1141695942084573
Energy: 1.1408284384977307
Energy: 1.1141695942084573
Energy: 1.5241289130705598
Energy: 1.0853416466704087
Energy: 0.9849245026943466
Energy: 1.0853416466716095
Energy: 1.5241289130705598
Energy: 1.0853416466716095
Energy: 1.126771101854463
Energy: 1.113726115277145
Energy: 1.1062062176017855
Energy: 1.1137261152777451
Energy: 1.1267711018568103
Energy: 1.1137261152777451
Energy: 1.530633239040553
Energy: 1.0158497995815248
Energy: 0.8830255217453146
Energy: 1.0158497995791231
Energy: 1.5306332390399526
Energy: 1.0158497995875295
Energy: 0.9265661355042931
Energy: 1.0979559704225563
Energy: 1.1150333321301713
Energy: 1.097955970421956
Energy: 0.9265661355036926
Energy: 1.0979559704225563
Energy: 1.2268760369625646
Energy: 1.06629455705394
Energy: 0.8914811866103147
Energy: 1.0662945570545406
Energy: 1.2268760369631653
Energy: 1.0662945570545406
Energy: 0.9029133252485428
Energy: 1.0688670523365063
Energy: 1.406577066795789
Energy: 1.0688670523365063
Energy: 0.9029133252473417
Energy: 1.0688670523365063
Energy: 1.406682895128603
Energy: 1.0690090414503992
Energy: 0.9030266421869887
Energy: 1.0690090414491982
Energy: 1.4066828951280026
Energy: 1.0690090414497986
Energy: 0.8914544671897093
Energy: 1.0657600979961923
Energy: 1.2265771486875958
Energy: 1.0657600979955917
Energy: 0.89145446719031
Energy: 1.0657600979961923
Energy: 1.1153544086819964
Energy: 1.0979386044564228
Energy: 0.9236983240976087
Energy: 1.0979386044558224
Energy: 1.1153544086825968
Energy: 1.0979386044558224
Energy: 0.8830544672076281
Energy: 1.0144503316544158
Energy: 1.5296543287137756
Energy: 1.014450331653215
Energy: 0.8830544672076281
Energy: 1.0144503316550164
Energy: 1.106206217603587
Energy: 1.1137094791658533
Energy: 1.126000631129362
Energy: 1.1137094791658533
Energy: 1.106206217603587
Energy: 1.1137094791664537
Energy: 1.091636339056513
Energy: 1.0850211855026846
Energy: 1.5238143715695442
Energy: 1.085021185502084
Energy: 1.0916363390571133
Energy: 1.085021185502084
Energy: 1.105666173095497
Energy: 1.1142051829093211
Energy: 1.143515522900369
Energy: 1.1142051829093211
Energy: 1.1056661730948967
Energy: 1.1142051829093211
Energy: 0.8830812832703451
Energy: 1.045248452421938
Energy: 1.846710038392025
Energy: 1.04524845242434
Energy: 0.8830812832697446
Energy: 1.04524845242434
Energy: 0.8900148174808884
Energy: 1.1141684648156471
Energy: 1.1216604350493287
Energy: 1.1141684648132453
Energy: 0.8900148174808884
Energy: 1.1141684648132453
Energy: 1.0941743472570364
Energy: 1.0944858473191377
Energy: 1.372577711058288
Energy: 1.094485847319738
Energy: 1.0941743472564363
Energy: 1.094485847319738
Energy: 0.886118819865097
Energy: 1.1140996825328549
Energy: 0.9266728756719355
Energy: 1.1140996825316538
Energy: 0.886118819865097
Energy: 1.1140996825316538
Energy: 0.8830915047388579
Energy: 1.103673332971597
Energy: 1.37364219573417
Energy: 1.103673332972198
Energy: 0.8830915047394583
Energy: 1.103673332972198
Energy: 0.8863096217202587
Energy: 1.1143082728735427
Energy: 0.9032443499196191
Energy: 1.114308272872942
Energy: 0.8863096217202587
Energy: 1.1143082728723417

minimum gb energy = 0.8830255217453146 eV
minimum distance =  2.23346659006354 Angstroms
sigma value = 67


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

Energy: 0.33982526291922394
Energy: 0.2942817117336897
Energy: 1.036638654484053
Energy: 0.2942817117336897
Energy: 0.33982526291922394
Energy: 0.2942817117336897
Energy: 0.2781358453614336
Energy: 0.7048518242545063
Energy: 0.7148219768639453
Energy: 0.7048518242528874
Energy: 0.2781358453614336
Energy: 0.7048518242528874
Energy: 0.33982526291922394
Energy: 0.2942817117336897
Energy: 1.0366386544603843
Energy: 0.2942817117336897
Energy: 0.33982526291922394
Energy: 0.29428171173410017
Energy: 0.2781358453614336
Energy: 0.7048518242545063
Energy: 0.7148220758309076
Energy: 0.7048518242524998
Energy: 0.2781358453614336
Energy: 0.7048518242524998
Energy: 0.33982526291922394
Energy: 0.29428171173330203
Energy: 1.0366386543733257
Energy: 0.2942817117336897
Energy: 0.3398252629188135
Energy: 0.2942817117336897
Energy: 0.2781358453614336
Energy: 0.7048518242545063
Energy: 0.7148218979105937
Energy: 0.7048518242528874
Energy: 0.27813584536104596
Energy: 0.7048518242524998
Energy: 0.33982526291961157
Energy: 0.2942817117336897
Energy: 1.0366386542345523
Energy: 0.29428171173410017
Energy: 0.33982526291961157
Energy: 0.2942817117336897

minimum gb energy = 0.27813584536104596 eV
minimum distance =  2.40058203696724 Angstroms
sigma value = 3


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

Energy: 1.421982619662902
Energy: 1.1115739844002603
Energy: 1.2368191640681252
Energy: 1.1115739844013526
Energy: 1.4219826196694554
Energy: 1.1115739844013526
Energy: 1.8136165080272888
Energy: 0.8824252822461961
Energy: 0.870153742191666
Energy: 0.8824252822461961
Energy: 1.8136165080267428
Energy: 0.8824252822461961
Energy: 1.4001715581742336
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Energy: 1.1049552126622024
Energy: 1.0667955458786746
Energy: 0.8694659445535561
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Energy: 1.041795100869951
Energy: 1.3734710335560572
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Energy: 0.8814068338997012
Energy: 1.540094049851293
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Energy: 0.8731836772958127
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Energy: 0.8631979336980921
Energy: 1.0977364705891965
Energy: 1.4054354930915187
Energy: 1.0977364705897426
Energy: 0.8631979337008228
Energy: 1.0977364705902888
Energy: 0.8601014989246402
Energy: 0.9548765487633558
Energy: 1.5262981673082934
Energy: 0.9548765487655404
Energy: 0.8601014989230018
Energy: 0.9548765487639019
Energy: 0.8605566450974365
Energy: 1.0852795131431427
Energy: 1.3825466571111198
Energy: 1.0852795131442352
Energy: 0.8605566450990748
Energy: 1.0852795131442352
Energy: 0.8727051405582534
Energy: 0.867613850192871
Energy: 1.5276470353854001
Energy: 0.8676138501939631
Energy: 0.8727051405560688
Energy: 0.8676138501939631
Energy: 0.8535775596221149
Energy: 1.0688612837528402
Energy: 1.1050911831827754
Energy: 1.0688612837544784
Energy: 0.8535775596221149
Energy: 1.0688612837539324
Energy: 0.8694056138451479
Energy: 1.0291857793715262
Energy: 1.2541017943379482
Energy: 1.0291857793726187
Energy: 0.8694056138467863
Energy: 1.0291857793720725
Energy: 1.106471130632801
Energy: 1.0582404396298282
Energy: 1.0878431805258602
Energy: 1.05824043962819
Energy: 1.1064711306333472
Energy: 1.05824043962819

minimum gb energy = 0.8480903017721657 eV
minimum distance =  2.26273495567864 Angstroms
sigma value = 81


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

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Energy: 1.2483856904838093
Energy: 1.3618331150176612
Energy: 1.2483856904838093
Energy: 1.3954527438894817
Energy: 1.2483856904838093
Energy: 1.6727906033052562
Energy: 0.985950308986346
Energy: 0.9722374946251792
Energy: 0.9859503089870955
Energy: 1.6727906033060058
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Energy: 0.9841331339133572
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Energy: 1.2590256430563203
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Energy: 0.9718865046722414
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Energy: 0.9720018227031654
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Energy: 1.257415224344379
Energy: 1.227898370915689
Energy: 0.951131476334434
Energy: 1.2278983709149396
Energy: 1.2574152243436294
Energy: 1.2278983709149396
Energy: 1.2571877166758993
Energy: 1.2071719108852663
Energy: 0.9647752673399533
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Energy: 1.25718771667515
Energy: 1.2071719108852663
Energy: 0.9659511608802045
Energy: 1.1842720091763506
Energy: 1.1214631583101624
Energy: 1.1842720091763506
Energy: 0.9659511608802045
Energy: 1.1842720091756012
Energy: 0.9666273082944895
Energy: 1.228005245324825
Energy: 0.9886505729473312
Energy: 1.2280052453255748
Energy: 0.9666273082944895
Energy: 1.2280052453255748
Energy: 0.9724350590180519
Energy: 1.241316237931268
Energy: 1.2574913929629676
Energy: 1.2413162379327671
Energy: 0.9724350590180519
Energy: 1.2413162379327671
Energy: 0.9727180444141532
Energy: 1.2077754910795762
Energy: 1.2762866493074534
Energy: 1.2077754910795762
Energy: 0.9727180444141532
Energy: 1.2077754910795762
Energy: 0.9659845678489835
Energy: 1.217622035978775
Energy: 1.461367376344689
Energy: 1.2176220359795245
Energy: 0.9659845678497331
Energy: 1.2176220359795245
Energy: 0.9603373882410232
Energy: 1.2278558589891
Energy: 1.3727550096090957
Energy: 1.2278558589883504
Energy: 0.9603373882410232
Energy: 1.2278558589883504
Energy: 0.972743625606464
Energy: 1.091195669439702
Energy: 1.4962080503277113
Energy: 1.091195669438203
Energy: 0.972743625606464
Energy: 1.0911956694389526
Energy: 0.9726865133023032
Energy: 1.2070604815122379
Energy: 1.276558441384462
Energy: 1.2070604815129875
Energy: 0.9726865133015535
Energy: 1.2070604815129875
Energy: 0.9661678799350089
Energy: 1.0879172882626367
Energy: 1.3350146117491448
Energy: 1.0879172865147269
Energy: 0.9661678799357585
Energy: 1.0879172859812878
Energy: 0.9540610142583607
Energy: 1.1795063435100042
Energy: 0.9888059830445749
Energy: 1.1795063435100042
Energy: 0.9540610142583607
Energy: 1.1795063435100042
Energy: 0.9770078051904816
Energy: 1.2076620277912462
Energy: 1.120345773157992
Energy: 1.2076620277912462
Energy: 0.9770078051904816
Energy: 1.2076620277927455

minimum gb energy = 0.9503381336906409 eV
minimum distance =  2.21827165794485 Angstroms
sigma value = 43


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

Energy: 1.530487581617674
Energy: 1.3495235883879158
Energy: 1.4607532033999686
Energy: 1.3495235883888366
Energy: 1.5304875816167536
Energy: 1.3495235883888366
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Energy: 1.0778676366431719
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Energy: 1.0331625324895504
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Energy: 1.0236742154758494
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Energy: 1.4045870610554463
Energy: 1.1757901337138283
Energy: 1.0409093759315586
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Energy: 1.4045870610554463
Energy: 1.1757901337101457
Energy: 1.4055601554327675
Energy: 1.2901139207977383
Energy: 1.440131347924523
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Energy: 1.4055601554327675
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Energy: 1.4380585437810927
Energy: 1.3216027778944495
Energy: 1.0334119764454568
Energy: 1.3216027778953705
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Energy: 1.3216027778953705
Energy: 1.4388944723111572
Energy: 1.322900821070191
Energy: 1.0337819379825668
Energy: 1.322900821070191
Energy: 1.4388944723111572
Energy: 1.322900821070191
Energy: 1.4046230506051827
Energy: 1.3385353150653654
Energy: 1.03259409953959
Energy: 1.3385353150653654
Energy: 1.404623050606103
Energy: 1.3385353150653654
Energy: 1.4055268404118753
Energy: 1.3561419220017685
Energy: 1.032548226789543
Energy: 1.356141922000848
Energy: 1.4055268404118753
Energy: 1.3561419220017685
Energy: 1.0316421560733495
Energy: 1.2971747339620536
Energy: 1.025145708688626
Energy: 1.2971747339620536
Energy: 1.0316421560733495
Energy: 1.2971747339620536
Energy: 1.0331517080488526
Energy: 1.313148349673794
Energy: 1.0319234544906177
Energy: 1.313148349673794
Energy: 1.033151708047932
Energy: 1.313148349673794
Energy: 1.0409986731988197
Energy: 1.3227682558262446
Energy: 1.0313198281351577
Energy: 1.3227682558271654
Energy: 1.040998673197899
Energy: 1.3227682558271654
Energy: 1.0430736304636083
Energy: 1.3561801420151611
Energy: 1.0762751479831079
Energy: 1.3561801420151611
Energy: 1.0430736304636083
Energy: 1.3561801420142403
Energy: 1.0338364009390344
Energy: 1.3256755123964834
Energy: 1.4047871226676958
Energy: 1.3256755123964834
Energy: 1.0338364009390344
Energy: 1.3256755123955626
Energy: 1.0332860538618294
Energy: 1.323240014698523
Energy: 1.4381587889612764
Energy: 1.323240014698523
Energy: 1.0332860538618294
Energy: 1.323240014698523
Energy: 1.0437929772726178
Energy: 1.328422742925056
Energy: 1.296096760322268
Energy: 1.328422742925056
Energy: 1.0437929772744592
Energy: 1.328422742925056
Energy: 1.0605456564125089
Energy: 1.2899795687390905
Energy: 1.0762670535960746
Energy: 1.2899795687390905
Energy: 1.0605456564134297
Energy: 1.2899795687390905
Energy: 1.0335562730856254
Energy: 1.177564093409835
Energy: 1.2249220997250232
Energy: 1.177564093409835
Energy: 1.0335562730856254
Energy: 1.177564093409835
Energy: 1.0249707859787205
Energy: 1.2973260995402114
Energy: 1.031651852089597
Energy: 1.297326099541132
Energy: 1.0249707859787205
Energy: 1.2973260995402114

minimum gb energy = 1.0236742154758494 eV
minimum distance =  2.23091743835779 Angstroms
sigma value = 57


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

Energy: 1.2070464981017743
Energy: 1.4583188387965789
Energy: 1.5842731173691953
Energy: 1.4583188387953867
Energy: 1.2070464981029665
Energy: 1.4583188387953867
Energy: 1.4097637243709062
Energy: 1.201845345881563
Energy: 1.1206178093405093
Energy: 1.201845345883947
Energy: 1.4097637243709062
Energy: 1.2018453458803708
Energy: 1.136648482554964
Energy: 1.4483176442466932
Energy: 1.3312478327404718
Energy: 1.4483176442455008
Energy: 1.136648482554964
Energy: 1.4483176442466932
Energy: 1.1440365815961964
Energy: 1.1343198360683093
Energy: 1.1240627202074331
Energy: 1.1343198360695015
Energy: 1.1440365815961964
Energy: 1.1343198360683093
Energy: 1.1203451685564108
Energy: 1.1477314913540324
Energy: 1.1263068874024988
Energy: 1.1477314913540324
Energy: 1.1203451685564108
Energy: 1.1477314913540324
Energy: 1.1539654934968164
Energy: 1.435076159037761
Energy: 1.1241960090870429
Energy: 1.435076159037761
Energy: 1.1539654934980086
Energy: 1.435076159037761
Energy: 1.1344534767357266
Energy: 1.3163933053724328
Energy: 1.4090101341745338
Energy: 1.3163933053724328
Energy: 1.1344534767357266
Energy: 1.3163933053712409
Energy: 1.1324642038208554
Energy: 1.4451206871351818
Energy: 1.1859696576062824
Energy: 1.44512068713399
Energy: 1.1324642038220474
Energy: 1.4451206871351818
Energy: 1.120629695618606
Energy: 1.197432287366471
Energy: 1.404344985795929
Energy: 1.197432287367663
Energy: 1.1206296956174135
Energy: 1.197432287367663
Energy: 1.1397899585782263
Energy: 1.4343895918123695
Energy: 1.1241700289636143
Energy: 1.4343895918123695
Energy: 1.139789958577034
Energy: 1.4343895918111773
Energy: 1.1339570437880435
Energy: 1.1324882644020666
Energy: 1.12609481477487
Energy: 1.1324882644008745
Energy: 1.1339570437880435
Energy: 1.1324882644020666
Energy: 1.1209924724157472
Energy: 1.3066635629832906
Energy: 1.1239934924396044
Energy: 1.3066635629820984
Energy: 1.1209924724157472
Energy: 1.3066635629844825
Energy: 1.1208356518120777
Energy: 1.435065062089431
Energy: 1.1798947117442444
Energy: 1.435065062089431
Energy: 1.1208356518120777
Energy: 1.435065062089431
Energy: 1.3923204236104356
Energy: 1.3034788423177965
Energy: 1.130967021746305
Energy: 1.3034788423189887
Energy: 1.3923204236116276
Energy: 1.3034788423189887
Energy: 1.6475987232041742
Energy: 1.442022277968416
Energy: 1.1314417443240172
Energy: 1.442022277968416
Energy: 1.6475987232041742
Energy: 1.442022277968416
Energy: 1.121232369159343
Energy: 1.4665025603305673
Energy: 1.1208606471458198
Energy: 1.466502560329375
Energy: 1.1212323691581507
Energy: 1.466502560329375
Energy: 1.121096125725981
Energy: 1.3163595411907318
Energy: 1.1333052509723278
Energy: 1.3163595411907318
Energy: 1.121096125725981
Energy: 1.3163595411907318
Energy: 1.132142844001994
Energy: 1.3301676730730825
Energy: 1.1320177273726448
Energy: 1.3301676730706986
Energy: 1.132142844000802
Energy: 1.3301676730754668
Energy: 1.1332879574443333
Energy: 1.3167641768358833
Energy: 1.1211177609847724
Energy: 1.3167641768346912
Energy: 1.1332879574443333
Energy: 1.3167641768358833
Energy: 1.1207796091083109
Energy: 1.4666822805715352
Energy: 1.1214832578366958
Energy: 1.4666822805727273
Energy: 1.1207796091083109
Energy: 1.4666822805715352
Energy: 1.1318876719790376
Energy: 1.4421698978638269
Energy: 1.6475814640372008
Energy: 1.4421698978650193
Energy: 1.1318876719790376
Energy: 1.4421698978650193
Energy: 1.131269293159573
Energy: 1.313722074638401
Energy: 1.39252737148796
Energy: 1.313722074638401
Energy: 1.131269293159573
Energy: 1.313722074638401
Energy: 1.151028165309771
Energy: 1.435217837602306
Energy: 1.1207324584082075
Energy: 1.435217837602306
Energy: 1.151028165309771
Energy: 1.435217837602306
Energy: 1.1239943827135555
Energy: 1.3062923138319726
Energy: 1.1209914026333019
Energy: 1.3062923138307805
Energy: 1.1239943827135555
Energy: 1.3062923138319726

minimum gb energy = 1.1203451685564108 eV
minimum distance =  2.22236221914197 Angstroms
sigma value = 17


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

Energy: 1.5072850859225368
Energy: 1.2794826442994793
Energy: 1.7480967198016533
Energy: 1.2794826442977936
Energy: 1.5072850859225368
Energy: 1.2794826442994793
Energy: 1.4837116850960972
Energy: 1.2362527565389176
Energy: 1.235550060208985
Energy: 1.2362527565372319
Energy: 1.4837116850960972
Energy: 1.2362527565389176
Energy: 1.479659669557979
Energy: 1.418353724657225
Energy: 1.6450657296139397
Energy: 1.418353724655539
Energy: 1.4796596695596647
Energy: 1.418353724657225
Energy: 1.267825851778515
Energy: 1.4058416980682042
Energy: 1.454997285865309
Energy: 1.40584169806989
Energy: 1.2678258517802008
Energy: 1.40584169806989
Energy: 1.2491506051639802
Energy: 1.2417962166173284
Energy: 1.2486807868290817
Energy: 1.24179621660047
Energy: 1.2491506051639802
Energy: 1.2417962166409309
Energy: 1.2447665487516246
Energy: 1.2414174621761442
Energy: 1.2253498157624845
Energy: 1.2414174621761442
Energy: 1.2447665487516246
Energy: 1.2414174621761442
Energy: 1.249986122313106
Energy: 1.4452320187404653
Energy: 1.4871939565125671
Energy: 1.4452320187404653
Energy: 1.249986122314792
Energy: 1.4452320187387795
Energy: 1.4474044099303753
Energy: 1.475439991619671
Energy: 1.454437369849387
Energy: 1.475439991617985
Energy: 1.4474044099303753
Energy: 1.475439991617985
Energy: 1.465317106530357
Energy: 1.4495190710926487
Energy: 1.3525307521645218
Energy: 1.449519071090963
Energy: 1.465317106530357
Energy: 1.449519071090963
Energy: 1.4907325939405216
Energy: 1.2346051425288185
Energy: 1.23732448494241
Energy: 1.2346051425288185
Energy: 1.4907325939405216
Energy: 1.2346051425288185
Energy: 1.4919820728357773
Energy: 1.4223870261006135
Energy: 1.258826735285171
Energy: 1.422387026107357
Energy: 1.4919820728357773
Energy: 1.4223870260989278
Energy: 1.459341407924757
Energy: 1.4712437508268226
Energy: 1.233847656079805
Energy: 1.4712437508251368
Energy: 1.459341407924757
Energy: 1.4712437508268226
Energy: 1.4525675023999527
Energy: 1.457489617152167
Energy: 1.4502503940042872
Energy: 1.457489617153853
Energy: 1.4525675023999527
Energy: 1.457489617153853
Energy: 1.2319947718104087
Energy: 1.4072679334213323
Energy: 1.4505063324866714
Energy: 1.4072679334213323
Energy: 1.2319947718104087
Energy: 1.4072679334213323
Energy: 1.2371054027994755
Energy: 1.5612207388707813
Energy: 1.2254403068135948
Energy: 1.5612207388707813
Energy: 1.2371054027994755
Energy: 1.561220738872467
Energy: 1.242001373884538
Energy: 1.383837330901681
Energy: 1.2271467958897007
Energy: 1.383837330901681
Energy: 1.242001373884538
Energy: 1.383837330901681
Energy: 1.245671911299705
Energy: 1.449802270031527
Energy: 1.459717164657303
Energy: 1.4498022700332125
Energy: 1.245671911299705
Energy: 1.4498022700332125

minimum gb energy = 1.2253498157624845 eV
minimum distance =  2.23949416921325 Angstroms
sigma value = 17


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

Energy: 1.684786780238813
Energy: 1.6711700163263508
Energy: 1.7456853654425721
Energy: 1.6711700163263508
Energy: 1.6847867802349068
Energy: 1.6711700163263508
Energy: 1.504621137869475
Energy: 1.2911491563942985
Energy: 1.276155343806663
Energy: 1.2911491563949493
Energy: 1.5046211378629646
Energy: 1.2911491563942985
Energy: 1.2823984276323361
Energy: 1.3605335623229473
Energy: 1.3020199254726024
Energy: 1.3605335623229473
Energy: 1.2823984276323361
Energy: 1.3605335623235981
Energy: 1.3114116753693748
Energy: 1.547668129119513
Energy: 1.3236851940262746
Energy: 1.5476681291188619
Energy: 1.3114116753667706
Energy: 1.547668129118211
Energy: 1.2847298093352824
Energy: 1.3416105798550158
Energy: 1.518767002521261
Energy: 1.3416105798569689
Energy: 1.2847298093352824
Energy: 1.3416105798556668
Energy: 1.3403280440168603
Energy: 1.5567333400985472
Energy: 1.340857993909377
Energy: 1.5567333400985472
Energy: 1.3403280440175114
Energy: 1.556733340097896
Energy: 1.2752709914191598
Energy: 1.344807571825506
Energy: 1.5085588418889084
Energy: 1.3448075718235526
Energy: 1.2752709914191598
Energy: 1.344807571825506
Energy: 1.600967179733898
Energy: 1.421897837345427
Energy: 1.2787406027783246
Energy: 1.421897837345427
Energy: 1.600967179733247
Energy: 1.421897837346078
Energy: 1.3505648113899043
Energy: 1.6218092399754591
Energy: 1.3015185343896263
Energy: 1.6218092399748079
Energy: 1.3505648113892534
Energy: 1.6218092399748079
Energy: 1.601162173018226
Energy: 1.3416053349975572
Energy: 1.2757292868749694
Energy: 1.341605334998208
Energy: 1.601162173018226
Energy: 1.341605334998859
Energy: 1.3199731038033375
Energy: 1.6168287844908718
Energy: 1.3220817859766973
Energy: 1.6168287844921738
Energy: 1.3199731038026865
Energy: 1.6168287844921738
Energy: 1.2971549211396225
Energy: 1.5650612058850508
Energy: 1.2753888744661024
Energy: 1.5650612058850508
Energy: 1.2971549211396225
Energy: 1.565061205886353
Energy: 1.2795689206196834
Energy: 1.4194798036819087
Energy: 1.6650534971457893
Energy: 1.4194798036799556
Energy: 1.2795689206190324
Energy: 1.4194798036799556
Energy: 1.289920285190416
Energy: 1.5309593085338833
Energy: 1.6680905546148481
Energy: 1.5309593085364874
Energy: 1.289920285190416
Energy: 1.530959308529326
Energy: 1.2895703854990235
Energy: 1.6406827319577035
Energy: 1.3248433967904032
Energy: 1.6406827319570525
Energy: 1.2895703854983724
Energy: 1.6406827319577035
Energy: 1.321653040650287
Energy: 1.614059727608419
Energy: 1.275470322680702
Energy: 1.614059727608419
Energy: 1.321653040649636
Energy: 1.614059727608419
Energy: 1.3166222774015153
Energy: 1.642839717320701
Energy: 1.2921362636799478
Energy: 1.642839717319399
Energy: 1.3166222774015153
Energy: 1.64283971732005
Energy: 1.6557100645446179
Energy: 1.5152274226645142
Energy: 1.2999283476306809
Energy: 1.5152274226638631
Energy: 1.655710064543967
Energy: 1.5152274226638631
Energy: 1.6526359350764186
Energy: 1.517121257537177
Energy: 1.275637056527462
Energy: 1.517121257537177
Energy: 1.6526359350764186
Energy: 1.517121257537177
Energy: 1.278724987725448
Energy: 1.6331734259642408
Energy: 1.2790858672749992
Energy: 1.6331734259636195
Energy: 1.278724987725448
Energy: 1.6331734259642408
Energy: 1.2754205977015132
Energy: 1.5168121594391317
Energy: 1.6523494944335366
Energy: 1.5168121594384807
Energy: 1.2754205977015132
Energy: 1.5168121594378297
Energy: 1.2979178573733985
Energy: 1.5132902397325931
Energy: 1.655620797652621
Energy: 1.51329023973064
Energy: 1.2979178573740493
Energy: 1.5132902397312908
Energy: 1.2924817219838147
Energy: 1.643082659019703
Energy: 1.3166673682312025
Energy: 1.643082659019703
Energy: 1.2924817219831637
Energy: 1.643082659019052
Energy: 1.2755360527077042
Energy: 1.6144562103184545
Energy: 1.3223451003123505
Energy: 1.6144562103191056
Energy: 1.2755360527077042
Energy: 1.6144562103184545
Energy: 1.3223190986397142
Energy: 1.6408386396167682
Energy: 1.2895195889014837
Energy: 1.6408386396167682
Energy: 1.3223190986390632
Energy: 1.6408386396167682
Energy: 1.668429367803315
Energy: 1.5410987989977736
Energy: 1.2898826258057134
Energy: 1.5410987990107936
Energy: 1.6684293678026643
Energy: 1.5410987989925653
Energy: 1.6654112996276762
Energy: 1.4202635396364773
Energy: 1.2795709094442291
Energy: 1.420263539629967
Energy: 1.6654112996276762
Energy: 1.4202635396234566
Energy: 1.2754064730322492
Energy: 1.5580689470099658
Energy: 1.2977442282116796
Energy: 1.5580689470093145
Energy: 1.2754064730315982
Energy: 1.5580689470080127
Energy: 1.3233442148637136
Energy: 1.6173356042974203
Energy: 1.319891074789922
Energy: 1.6173356042987226
Energy: 1.3233442148630625
Energy: 1.6173356042967693
Energy: 1.2756607157380728
Energy: 1.34160533499951
Energy: 1.6012591755013625
Energy: 1.3416053350001613
Energy: 1.2756607157380728
Energy: 1.3416053350008124
Energy: 1.2955121744909808
Energy: 1.6195295385560349
Energy: 1.3506536503916764
Energy: 1.6195295385560349
Energy: 1.2955121744916318
Energy: 1.619529538556686
Energy: 1.2787829780870659
Energy: 1.4162929131624378
Energy: 1.601142734709001
Energy: 1.416292913163089
Energy: 1.278782978087717
Energy: 1.416292913163089
Energy: 1.5083120290730143
Energy: 1.3372607383611768
Energy: 1.2755263693911951
Energy: 1.3372607384073698
Energy: 1.5083120290717122
Energy: 1.3372607383462032
Energy: 1.3436612311252116
Energy: 1.5579686216619653
Energy: 1.339968607874673
Energy: 1.5579686216606632
Energy: 1.3436612311245606
Energy: 1.5579686216613142
Energy: 1.5185431717084468
Energy: 1.3416105798543645
Energy: 1.2805968553529592
Energy: 1.3416105798550158
Energy: 1.5185431717064937
Energy: 1.3416105798576197
Energy: 1.3246554533657617
Energy: 1.5659142714994656
Energy: 1.3110382804267073
Energy: 1.5659142714994656
Energy: 1.3246554533657617
Energy: 1.5659142715007675
Energy: 1.3002621722859171
Energy: 1.3390816942964692
Energy: 1.2824087629764376
Energy: 1.339081694293865
Energy: 1.3002621714790048
Energy: 1.3390816942958181
Energy: 1.2761162388281093
Energy: 1.2913862619484975
Energy: 1.515194251748253
Energy: 1.2913862619478462
Energy: 1.2761162388287604
Energy: 1.2913862619478462
Energy: 1.745685365443223
Energy: 1.6711700163270018
Energy: 1.6847867801958754
Energy: 1.6711700163270018
Energy: 1.745685365443874
Energy: 1.6711700163270018
Energy: 1.276155343806663
Energy: 1.2911491563949493
Energy: 1.5046211378642667
Energy: 1.2911491563942985
Energy: 1.2761553438060118
Energy: 1.2911491563942985
Energy: 1.3020199254849423
Energy: 1.3605335623229473
Energy: 1.2823984276323361
Energy: 1.3605335623222963
Energy: 1.3020199255025198
Energy: 1.3605335623229473
Energy: 1.3236851940295296
Energy: 1.547668129118211
Energy: 1.3114116753713279
Energy: 1.547668129118211
Energy: 1.3236851940295296
Energy: 1.547668129118211
Energy: 1.518767002521261
Energy: 1.3416105798543645
Energy: 1.2847298093346313
Energy: 1.3416105798550158
Energy: 1.5187670025232143
Energy: 1.3416105798517606

minimum gb energy = 1.2752709914191598 eV
minimum distance =  2.20476850318759 Angstroms
sigma value = 57


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

Energy: 1.4044115882370274
Energy: 1.64160219215414
Energy: 1.732734637627507
Energy: 1.64160219215202
Energy: 1.4044115882370274
Energy: 1.64160219215096
Energy: 1.3592756180288978
Energy: 1.2959955197628827
Energy: 1.2953107258836898
Energy: 1.295995519767123
Energy: 1.3592756180299579
Energy: 1.295995519766063
Energy: 1.2662664333273193
Energy: 1.4008828331209777
Energy: 1.5837219683764518
Energy: 1.40088283372702
Energy: 1.2662664333283793
Energy: 1.400882833661347
Energy: 1.3780355273301392
Energy: 1.3563966448707876
Energy: 1.3531709845769524
Energy: 1.3563966448602354
Energy: 1.3780355273333191
Energy: 1.3563966448665954
Energy: 1.2698574181859237
Energy: 1.4092406813630816
Energy: 1.380627684463852
Energy: 1.4092406813609617
Energy: 1.2698574181859237
Energy: 1.4092406813620215
Energy: 1.3684411113129498
Energy: 1.3660526382624252
Energy: 1.3497468603351315
Energy: 1.3660526382687854
Energy: 1.3684411113129498
Energy: 1.3660526382698455
Energy: 1.2697053298042833
Energy: 1.4530656886728444
Energy: 1.3180906993314248
Energy: 1.4530656886770843
Energy: 1.2697053298032235
Energy: 1.4530656886802642
Energy: 1.6259358788838028
Energy: 1.333210688983842
Energy: 1.2952419693761872
Energy: 1.33321068838204
Energy: 1.625935878884863
Energy: 1.3332106881192511
Energy: 1.386213001455284
Energy: 1.6774124398928776
Energy: 1.3137086283022443
Energy: 1.6774124398918175
Energy: 1.386213001455284
Energy: 1.6774124398918175
Energy: 1.3564828568274816
Energy: 1.3024418115725749
Energy: 1.2988747346233265
Energy: 1.302441811573635
Energy: 1.3564828568285419
Energy: 1.302441811573635
Energy: 1.2695117549858754
Energy: 1.4706324627277332
Energy: 1.3530859126592247
Energy: 1.4706324627287934
Energy: 1.2695117549869357
Energy: 1.4706324625793787
Energy: 1.3648292527739332
Energy: 1.3490300384193874
Energy: 1.342537309055611
Energy: 1.3490300384236276
Energy: 1.3648292527749932
Energy: 1.3490300384236276
Energy: 1.274750203889994
Energy: 1.515784331245417
Energy: 1.3555464746685413
Energy: 1.515784331256017
Energy: 1.274750203889994
Energy: 1.515784331254957
Energy: 1.3577556699799198
Energy: 1.4115487545491165
Energy: 1.3430072874852814
Energy: 1.4115487545438166
Energy: 1.3577556699809796
Energy: 1.4115487545438166
Energy: 1.2741553368705902
Energy: 1.3656165499540796
Energy: 1.3146527937606924
Energy: 1.3656165499392394
Energy: 1.2741553368727103
Energy: 1.3656165499498396
Energy: 1.6322172464895883
Energy: 1.5596525999961934
Energy: 1.298380992046011
Energy: 1.5596525999951334
Energy: 1.6322172464895883
Energy: 1.5596525999972535
Energy: 1.3860851207527818
Energy: 1.5276038207723617
Energy: 1.3099499713403884
Energy: 1.5276038207765537
Energy: 1.3860851207527818
Energy: 1.5276038207744818
Energy: 1.3564295822921726
Energy: 1.380863325603127
Energy: 1.3056766514219234
Energy: 1.3808633256518394
Energy: 1.3564295822932326
Energy: 1.3808633256306875
Energy: 1.274338663370536
Energy: 1.5190508721827727
Energy: 1.3420650955366917
Energy: 1.5190508721827727
Energy: 1.274338663371596
Energy: 1.5190508721817126
Energy: 1.364056059079134
Energy: 1.5264908655200922
Energy: 1.3401616207064544
Energy: 1.5264908655285723
Energy: 1.3640560590780741
Energy: 1.5264908655211522
Energy: 1.2837045953198432
Energy: 1.5242593467928054
Energy: 1.3427806679971217
Energy: 1.5242593468002255
Energy: 1.283704595318783
Energy: 1.5242593467875052
Energy: 1.2676590020740317
Energy: 1.5114456565006777
Energy: 1.340836023914674
Energy: 1.5114456564890175
Energy: 1.2676590020740317
Energy: 1.5114456564985577
Energy: 1.2670470013090505
Energy: 1.3821602709290135
Energy: 1.3096691118683152
Energy: 1.3821602709152334
Energy: 1.2670470013111705
Energy: 1.3821602709565741
Energy: 1.3763373084051576
Energy: 1.5317707475812532
Energy: 1.305700827789282
Energy: 1.5317707476077538
Energy: 1.3763373084062176
Energy: 1.5317707475854934
Energy: 1.3783592625626004
Energy: 1.5277280323334967
Energy: 1.300847305183146
Energy: 1.5277280323292568
Energy: 1.3783592625636607
Energy: 1.5277280323303166
Energy: 1.267214166992342
Energy: 1.3755236038130052
Energy: 1.3110007787868843
Energy: 1.3755236038140652
Energy: 1.267214166993402
Energy: 1.3755236038119452
Energy: 1.2680338453156916
Energy: 1.519073425460738
Energy: 1.3401236399607288
Energy: 1.519073425463918
Energy: 1.2680338453146316
Energy: 1.5190734254628584

minimum gb energy = 1.2662664333273193 eV
minimum distance =  2.23847904544397 Angstroms
sigma value = 43


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

Energy: 1.4451292168376577
Energy: 1.6319139685710884
Energy: 1.777147393209322
Energy: 1.6319139685718607
Energy: 1.4451292168376577
Energy: 1.6319139685710884
Energy: 1.3778433302741953
Energy: 1.346458676372485
Energy: 1.3114718542788582
Energy: 1.3464586763755744
Energy: 1.377843330273423
Energy: 1.3464586763763469
Energy: 1.3140789632972363
Energy: 1.4276352218587136
Energy: 1.466303652395295
Energy: 1.4276352217444428
Energy: 1.3140789632980088
Energy: 1.4276352216417925
Energy: 1.4287455725939304
Energy: 1.6017736728784033
Energy: 1.3948396694170961
Energy: 1.6017736728791756
Energy: 1.4287455725939304
Energy: 1.6017736728799479
Energy: 1.314980449755365
Energy: 1.3927840042670003
Energy: 1.4028369403866017
Energy: 1.3927840042508166
Energy: 1.314980449755365
Energy: 1.3927840042500443
Energy: 1.3964999910841054
Energy: 1.4088774007073712
Energy: 1.3118267163428254
Energy: 1.4088774007127773
Energy: 1.396499991081016
Energy: 1.4088774007089158
Energy: 1.3131029247949801
Energy: 1.4019955456705837
Energy: 1.3471929104992857
Energy: 1.4019955455362323
Energy: 1.3131029247949801
Energy: 1.4019955456998971
Energy: 1.421309420403392
Energy: 1.391531409299641
Energy: 1.3152895769507764
Energy: 1.391531409295042
Energy: 1.42130942040262
Energy: 1.3915314092942694
Energy: 1.393667487961311
Energy: 1.6021146787655154
Energy: 1.4099383446440747
Energy: 1.60211467876706
Energy: 1.393667487961311
Energy: 1.60211467876706
Energy: 1.5177916105653066
Energy: 1.4118977292761283
Energy: 1.3142830946416668
Energy: 1.4118977293479202
Energy: 1.517791610563762
Energy: 1.411897729273039
Energy: 1.3127967448600488
Energy: 1.3658991061719352
Energy: 1.6087085661403464
Energy: 1.3658991061727075
Energy: 1.3127967448600488
Energy: 1.3658991061727075
Energy: 1.345060477165655
Energy: 1.574746093169917
Energy: 1.4334332018998834
Energy: 1.5747460931683723
Energy: 1.345060477165655
Energy: 1.5747460931629662
Energy: 1.316766903275696
Energy: 1.342488942026748
Energy: 1.4004846489100367
Energy: 1.3424889421178485
Energy: 1.3167669032749234
Energy: 1.3424889420275206
Energy: 1.3991807058329102
Energy: 1.4705857885699727
Energy: 1.3145187418894
Energy: 1.4705857885692006
Energy: 1.3991807058275039
Energy: 1.4705857885707452
Energy: 1.3887396046123925
Energy: 1.6009534019141947
Energy: 1.3449169638758918
Energy: 1.6009534019157394
Energy: 1.3887396046123925
Energy: 1.600953401914967
Energy: 1.3925012053702026
Energy: 1.528694256171759
Energy: 1.3186366583019766
Energy: 1.5286942561779377
Energy: 1.3925012053702026
Energy: 1.5286942561771653
Energy: 1.317835329634397
Energy: 1.4789278039643625
Energy: 1.3979803981489922
Energy: 1.4789278035366646
Energy: 1.317835329634397
Energy: 1.4789278037196378
Energy: 1.3638036543727956
Energy: 1.3998587547321824
Energy: 1.3114897317266991
Energy: 1.3998587547321824
Energy: 1.3638036543727956
Energy: 1.3998587548371497
Energy: 1.3318248123487655
Energy: 1.4548211134631654
Energy: 1.389881136723619
Energy: 1.4548211134631654
Energy: 1.3318248123487655
Energy: 1.4548211134639377
Energy: 1.3229111906854862
Energy: 1.5657192132650353
Energy: 1.3888892830066581
Energy: 1.5657192132596292
Energy: 1.322911190684714
Energy: 1.5657192132634907
Energy: 1.3207780184450857
Energy: 1.4185912558778935
Energy: 1.3485535109810842
Energy: 1.418591255864764
Energy: 1.3207780184450857
Energy: 1.4185912559187923
Energy: 1.7078497353256628
Energy: 1.4753317540955682
Energy: 1.3192123621861773
Energy: 1.4753317540947957
Energy: 1.7078497353272073
Energy: 1.4753317540955682
Energy: 1.609223416664315
Energy: 1.524240718458433
Energy: 1.3463600095940125
Energy: 1.524240718458433
Energy: 1.6092234166650874
Energy: 1.524240718456116
Energy: 1.3259035687001863
Energy: 1.602733450998803
Energy: 1.3446098324674656
Energy: 1.6027334509980304
Energy: 1.3259035687009588
Energy: 1.6027334509995754
Energy: 1.320308024034356
Energy: 1.566070745901294
Energy: 1.398517245048169
Energy: 1.5660707459020662
Energy: 1.320308024034356
Energy: 1.5660707459020662
Energy: 1.3510069788187473
Energy: 1.5487373267009772
Energy: 1.3943478287371909
Energy: 1.5487373267009772
Energy: 1.3510069788187473
Energy: 1.5487373266978879
Energy: 1.332312427755698
Energy: 1.5227827415320998
Energy: 1.3889458678053161
Energy: 1.5227827415305553
Energy: 1.3323124277564704
Energy: 1.5227827415313278
Energy: 1.3852984361257796
Energy: 1.7121123635087785
Energy: 1.3852261239017627
Energy: 1.7121123635087785
Energy: 1.3852984361265521
Energy: 1.7121123635087785
Energy: 1.388732597247821
Energy: 1.5251349362489295
Energy: 1.3606713063233935
Energy: 1.525134936299096
Energy: 1.388732597247821
Energy: 1.5251349363940583
Energy: 1.394444991332398
Energy: 1.5496081855831936
Energy: 1.351486869369185
Energy: 1.5496081855808765
Energy: 1.394444991332398
Energy: 1.5496081855816488
Energy: 1.3973126126785371
Energy: 1.5661104315724594
Energy: 1.3200085149565064
Energy: 1.566110431573232
Energy: 1.3973126126785371
Energy: 1.5661104315724594
Energy: 1.3445730438485144
Energy: 1.4096969746085477
Energy: 1.3267157391010072
Energy: 1.4096969709655138
Energy: 1.3445730438485144
Energy: 1.409696977788356
Energy: 1.3464284272038998
Energy: 1.515231784895775
Energy: 1.8041316749259866
Energy: 1.5152317848950025
Energy: 1.346428427204672
Energy: 1.5152317848965473
Energy: 1.319182577188606
Energy: 1.4673752122180748
Energy: 1.7082195430962543
Energy: 1.4673752122188473
Energy: 1.3191825771893786
Energy: 1.4673752122173027
Energy: 1.3487718687376211
Energy: 1.4118194886836075
Energy: 1.3207526794276228
Energy: 1.4118194890008966
Energy: 1.3487718687376211
Energy: 1.4118194937069792
Energy: 1.3887593010883283
Energy: 1.565995709841533
Energy: 1.3225252634223417
Energy: 1.565995709765879
Energy: 1.3887593010883283
Energy: 1.565995709823032

minimum gb energy = 1.3114718542788582 eV
minimum distance =  2.23479366285004 Angstroms
sigma value = 81


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

Energy: 1.357820399526203
Energy: 1.3605563689258258
Energy: 2.1851399840893633
Energy: 1.3605563689258258
Energy: 1.357820399526203
Energy: 1.3605563689258258
Energy: 1.549138513037705
Energy: 1.3605219114063833
Energy: 1.3578423280805918
Energy: 1.3605219114066733
Energy: 1.5491385130371247
Energy: 1.3605219114069635
Energy: 1.3578058626278697
Energy: 1.3608297129819966
Energy: 1.5270951916220392
Energy: 1.360829712982577
Energy: 1.3578058626281275
Energy: 1.3608297129828673
Energy: 2.1851399840891057
Energy: 1.3605563689255353
Energy: 1.357820399526203
Energy: 1.3605563689258258
Energy: 2.1851399840893633
Energy: 1.3605563689258258
Energy: 1.3578423280808822
Energy: 1.3605219114066733
Energy: 1.549138513037705
Energy: 1.3605219114069635
Energy: 1.3578423280808822
Energy: 1.3605219114066733
Energy: 1.6757766001348133
Energy: 1.360829712982577
Energy: 1.3578058626275793
Energy: 1.360829712982577
Energy: 1.6757766001339425
Energy: 1.3608297129819966
Energy: 1.3578203995264932
Energy: 1.3605563689255353
Energy: 1.6267073086256143
Energy: 1.3605563689252456
Energy: 1.357820399526203
Energy: 1.3605563689258258
Energy: 1.5491385130374147
Energy: 1.3605219114066733
Energy: 1.3578423280805918
Energy: 1.3605219114066733
Energy: 1.549138513037995
Energy: 1.3605219114066733
Energy: 1.3578058626275793
Energy: 1.360829712982577
Energy: 1.6757766001342327
Energy: 1.3608297129822868
Energy: 1.3578058626281275
Energy: 1.360829712982577
Energy: 1.6913870285351245
Energy: 1.3605563689252456
Energy: 1.3578203995259128
Energy: 1.3605563689246971
Energy: 1.6913870285342536
Energy: 1.3605563689258258

minimum gb energy = 1.3578058626275793 eV
minimum distance =  2.23147016350398 Angstroms
sigma value = 3


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

Energy: 1.6644705121255703
Energy: 1.6780841325558111
Energy: 1.927810767292717
Energy: 1.6780841325490172
Energy: 1.664470512123872
Energy: 1.6780841325498665
Energy: 1.5528972137216641
Energy: 1.3617713560179658
Energy: 1.290745625090575
Energy: 1.3617713560196643
Energy: 1.5528972137225134
Energy: 1.3617713560137197
Energy: 1.3287823883572174
Energy: 1.3481665879899334
Energy: 1.4735387984877264
Energy: 1.3481665879916316
Energy: 1.3287823883563683
Energy: 1.3481665879916316
Energy: 1.7075970087162746
Energy: 1.657168136519148
Energy: 1.3471969153143457
Energy: 1.6571681365174493
Energy: 1.7075970087162746
Energy: 1.6571681365225448
Energy: 1.3348990959519156
Energy: 1.3343300217122125
Energy: 1.6442984957835975
Energy: 1.3343300217122125
Energy: 1.3348990959519156
Energy: 1.3343300217130614
Energy: 1.4845545881914128
Energy: 1.388209331583011
Energy: 1.290058649534924
Energy: 1.3882093315813129
Energy: 1.4845545881905637
Energy: 1.3882093315796145
Energy: 1.334866648960588
Energy: 1.3345394314834635
Energy: 1.4748191675682747
Energy: 1.3345394314775194
Energy: 1.3348666489614371
Energy: 1.3345394314826147
Energy: 1.3306869336774843
Energy: 1.7261798813878786
Energy: 1.3444785051508765
Energy: 1.726179881389577
Energy: 1.3306869336774843
Energy: 1.726179881389577
Energy: 1.3297703143887794
Energy: 1.5087628588111264
Energy: 1.6106644416621296
Energy: 1.5087628588128252
Energy: 1.3297703143896287
Energy: 1.5087628588128252
Energy: 1.3285350482924636
Energy: 1.3516703179843896
Energy: 1.292696048928716
Energy: 1.3516703179843896
Energy: 1.3285350482924636
Energy: 1.3516703179843896
Energy: 1.6448812829058443
Energy: 1.5452582828387387
Energy: 1.3616680679779696
Energy: 1.5452582828378894
Energy: 1.6448812829066939
Energy: 1.5452582828387387
Energy: 1.6472150005991353
Energy: 1.311727159863599
Energy: 1.2921986124231584
Energy: 1.3117271598338767
Energy: 1.6472150005991353
Energy: 1.3117271598245357
Energy: 1.3309603972235229
Energy: 1.4143505612945777
Energy: 1.2920385715649416
Energy: 1.414350561371855
Energy: 1.3309603972235229
Energy: 1.4143505614015386
Energy: 1.32923574296125
Energy: 1.4013777391674387
Energy: 1.340635081190156
Energy: 1.401377739185272
Energy: 1.3292357429620993
Energy: 1.4013777391665898
Energy: 1.3319551463739572
Energy: 1.3422906162836936
Energy: 1.3408932232279869
Energy: 1.3422906162870905
Energy: 1.3319551463739572
Energy: 1.3422906162819952
Energy: 1.3304895586196024
Energy: 1.3630842492418502
Energy: 1.2941213015058066
Energy: 1.3630842492791764
Energy: 1.3304895586196024
Energy: 1.3630842493072
Energy: 1.33151745684984
Energy: 1.4809428982271653
Energy: 1.294087248651306
Energy: 1.4809428982237687
Energy: 1.33151745684984
Energy: 1.4809428982263164
Energy: 1.3298485974690535
Energy: 1.4282077772647819
Energy: 1.3406928810988084
Energy: 1.4282077772664805
Energy: 1.3298485974699024
Energy: 1.4282077772656314
Energy: 1.3290264998023815
Energy: 1.4022402116933288
Energy: 1.3411420715028672
Energy: 1.402240211695876
Energy: 1.329026499803231
Energy: 1.402240211695876
Energy: 1.3290179951482934
Energy: 1.3440943472258733
Energy: 1.2923717444561544
Energy: 1.3440943471944915
Energy: 1.3290179951491425
Energy: 1.344094347225024
Energy: 1.6464548899582614
Energy: 1.3170473134644038
Energy: 1.2921773459364685
Energy: 1.3170473134873324
Energy: 1.6464548899574123
Energy: 1.317047313490729
Energy: 1.6437312834615283
Energy: 1.549850379578868
Energy: 1.3553381579092072
Energy: 1.5498503795805665
Energy: 1.6437312834615283
Energy: 1.5498503795814156
Energy: 1.3285047483544083
Energy: 1.3534827981480078
Energy: 1.2927157582203999
Energy: 1.3534827981497062
Energy: 1.3285047483535593
Energy: 1.353482798140365
Energy: 1.3288317031967245
Energy: 1.5149451990605207
Energy: 1.610584493842303
Energy: 1.5149451990596716
Energy: 1.3288317031975738
Energy: 1.5149451990588225
Energy: 1.3303295211337582
Energy: 1.4292383732368277
Energy: 1.3432849063796144
Energy: 1.4292383732368277
Energy: 1.3303295211346071
Energy: 1.4292383732368277
Energy: 1.3335271061898306
Energy: 1.5142845951652741
Energy: 1.4246403503999812
Energy: 1.5142846241602967
Energy: 1.3335271061898306
Energy: 1.5142845851890474
Energy: 1.3314497586615164
Energy: 1.5447074298514845
Energy: 1.2911663674948204
Energy: 1.5447074298506354
Energy: 1.3314497586615164
Energy: 1.5447074298506354
Energy: 1.3333807041824242
Energy: 1.3938718974932867
Energy: 1.6107072549020198
Energy: 1.3938718974915885
Energy: 1.3333807041824242
Energy: 1.3938718974924376
Energy: 1.431367818587805
Energy: 1.7169669055015693
Energy: 1.3471545879025573
Energy: 1.7169669055058154
Energy: 1.4313678185861065
Energy: 1.7169669054990218
Energy: 1.3274750105728466
Energy: 1.3515633081212317
Energy: 1.467470932094143
Energy: 1.3515633081229304
Energy: 1.3274750105728466
Energy: 1.3515633081212317
Energy: 1.5530478311546976
Energy: 1.354852734264013
Energy: 1.2899921320208005
Energy: 1.3548527342767513
Energy: 1.5530478311563958
Energy: 1.354852734263164
Energy: 1.6446248755504327
Energy: 1.7392272048158353
Energy: 1.3586105522075462
Energy: 1.7392272048158353
Energy: 1.6446248755784563
Energy: 1.7392272048166846
Energy: 1.5525929443536435
Energy: 1.3603426671902665
Energy: 1.289001191584913
Energy: 1.3603426671919647
Energy: 1.5525929443536435
Energy: 1.3603426671911156

minimum gb energy = 1.289001191584913 eV
minimum distance =  2.19486225672293 Angstroms
sigma value = 67


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

Energy: 1.3164454961502847
Energy: 1.727494096481535
Energy: 1.7612906969266116
Energy: 1.727494096481535
Energy: 1.3164454961502847
Energy: 1.727494096481535
Energy: 1.7325066901885635
Energy: 1.2805869200640807
Energy: 1.2681316522695192
Energy: 1.2805869200640807
Energy: 1.7325066901885635
Energy: 1.2805869200640807
Energy: 1.289583329922346
Energy: 1.3916495270864657
Energy: 1.500740057226267
Energy: 1.3916495270900957
Energy: 1.289583329922346
Energy: 1.3916495270925158
Energy: 1.6590415742810078
Energy: 1.6482528752892243
Energy: 1.2730839448280569
Energy: 1.6482528752819638
Energy: 1.6590415742810078
Energy: 1.6482528752892243
Energy: 1.2685029673083026
Energy: 1.7510139814739274
Energy: 1.6346784197683155
Energy: 1.7510139814727177
Energy: 1.2685029673083026
Energy: 1.7510139814727177
Energy: 1.2667380757182471
Energy: 1.5417540162023515
Energy: 1.2690168960287345
Energy: 1.5417540162011416
Energy: 1.2667380757182471
Energy: 1.5417540162011416
Energy: 1.2899905874113693
Energy: 1.2819218210261851
Energy: 1.2936443559875999
Energy: 1.281921821021345
Energy: 1.2899905874113693
Energy: 1.281921821021345
Energy: 1.288265464707793
Energy: 1.524694980515282
Energy: 1.670646419081762
Energy: 1.524694980483822
Energy: 1.288265464707793
Energy: 1.524694980499552
Energy: 1.2905728385696769
Energy: 1.310861779453372
Energy: 1.6682814159340564
Energy: 1.3108617794279616
Energy: 1.2905728385696769
Energy: 1.3108617794255415
Energy: 1.291691291041942
Energy: 1.3329979914342973
Energy: 1.2966635413018734
Energy: 1.332997991412517
Energy: 1.291691291043152
Energy: 1.3329979914500274
Energy: 1.268858614723601
Energy: 1.432982262231695
Energy: 1.2952869501208286
Energy: 1.432982262230485
Energy: 1.2688586147223908
Energy: 1.432982262231695
Energy: 1.270610637476785
Energy: 1.3229734413525995
Energy: 1.2707614746256466
Energy: 1.3229734413538092
Energy: 1.270610637475575
Energy: 1.3229734413538092
Energy: 1.2961654040422292
Energy: 1.4338590859300948
Energy: 1.2688751634211124
Energy: 1.4338590859300948
Energy: 1.2961654040422292
Energy: 1.4338590859300948
Energy: 1.2966320690911233
Energy: 1.331175365064085
Energy: 1.2917878338802875
Energy: 1.3311753650713452
Energy: 1.2966320690911233
Energy: 1.331175365058035
Energy: 1.6688775246650664
Energy: 1.3108143256964688
Energy: 1.2906167299909728
Energy: 1.310814325697679
Energy: 1.6688775246614365
Energy: 1.310814325698889
Energy: 1.6719899618661833
Energy: 1.5265561675894568
Energy: 1.2885206024909062
Energy: 1.5265561675882469
Energy: 1.6719899618673937
Energy: 1.5265561675894568
Energy: 1.2937397036586387
Energy: 1.2819632947798099
Energy: 1.2901439681975282
Energy: 1.2819632947786
Energy: 1.2937397036574287
Energy: 1.28196329478344
Energy: 1.2690766482345222
Energy: 1.541469435760352
Energy: 1.2667900358405566
Energy: 1.5414694357591423
Energy: 1.2690766482345222
Energy: 1.541469435760352
Energy: 1.63340250373786
Energy: 1.7491080968074098
Energy: 1.268464529822445
Energy: 1.7491080968074098
Energy: 1.63340250373907
Energy: 1.7491080968061996
Energy: 1.2730852770716745
Energy: 1.6593483668655484
Energy: 1.6586211843008125
Energy: 1.6593483668619184
Energy: 1.2730852770728844
Energy: 1.6593483668631284
Energy: 1.4937271026223282
Energy: 1.3916495270900957
Energy: 1.289527966001755
Energy: 1.3916495270913058
Energy: 1.4937271026162782
Energy: 1.3916495270876759
Energy: 1.2681500760140036
Energy: 1.2823412429187073
Energy: 1.732431912951865
Energy: 1.2823412429174972
Energy: 1.2681500760140036
Energy: 1.2823412429199172
Energy: 1.536289998308992
Energy: 1.727494096481535
Energy: 1.3164454961490746
Energy: 1.727494096481535
Energy: 1.5362899983065719
Energy: 1.7274940964827452

minimum gb energy = 1.2667380757182471 eV
minimum distance =  2.18848408024214 Angstroms
sigma value = 33


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

Energy: 1.527814130845963
Energy: 1.7693425860345022
Energy: 1.7411281526379492
Energy: 1.7693425860345022
Energy: 1.5278141308444277
Energy: 1.7693425860345022
Energy: 1.7087632335363263
Energy: 1.5162860358802839
Energy: 1.229336718146942
Energy: 1.5162860358787487
Energy: 1.7087632331634417
Energy: 1.516286035877981
Energy: 1.2263225491529859
Energy: 1.3080745060805008
Energy: 1.572038098522864
Energy: 1.3080745060805008
Energy: 1.2263225491529859
Energy: 1.3080745060812684
Energy: 1.2968645788661264
Energy: 1.343118689235573
Energy: 1.2365579436144634
Energy: 1.3431192693203158
Energy: 1.2968645788653586
Energy: 1.3431183542192668
Energy: 1.446991668726727
Energy: 1.5300327507625744
Energy: 1.4355141744715931
Energy: 1.5300327507641094
Energy: 1.446991668726727
Energy: 1.5300327507633418
Energy: 1.4484741620389368
Energy: 1.4509897861222287
Energy: 1.2304568584986297
Energy: 1.4509897861199255
Energy: 1.448474162038169
Energy: 1.4509897861199255
Energy: 1.2226133289570646
Energy: 1.2437126740330053
Energy: 1.240031252159265
Energy: 1.2437126740330053
Energy: 1.2226133289570646
Energy: 1.2437126740330053
Energy: 1.2446408303275407
Energy: 1.220102161989725
Energy: 1.448552772913947
Energy: 1.220102161716595
Energy: 1.244640830326773
Energy: 1.2201021618830967
Energy: 1.4320493166756543
Energy: 1.4199363821234572
Energy: 1.4458573890759656
Energy: 1.41993638212576
Energy: 1.4320493166756543
Energy: 1.4199363821249924
Energy: 1.2338326786682956
Energy: 1.3809629369639456
Energy: 1.2202085754230478
Energy: 1.380962936963178
Energy: 1.2338326786690281
Energy: 1.380962936963178
Energy: 1.2171901605193183
Energy: 1.421524933307118
Energy: 1.245811459688712
Energy: 1.4215249333063507
Energy: 1.2171901605193183
Energy: 1.4215249333063507
Energy: 1.2207037629394737
Energy: 1.2832061231957594
Energy: 1.7066937058271918
Energy: 1.2832061231957594
Energy: 1.2207037629394737
Energy: 1.2832061231957594
Energy: 1.461921618407593
Energy: 1.543350208037506
Energy: 1.5140751367707699
Energy: 1.543350208037506
Energy: 1.461921618407593
Energy: 1.543350208037506
Energy: 1.22934397551838
Energy: 1.4157673053273379
Energy: 1.2257608965236122
Energy: 1.4157673053273379
Energy: 1.22934397551838
Energy: 1.4157673053273379
Energy: 1.4704961010799422
Energy: 1.3049433078436645
Energy: 1.2202966277643301
Energy: 1.3049433078421293
Energy: 1.4704961010799422
Energy: 1.3049433078375239
Energy: 1.236560299218013
Energy: 1.464673100019314
Energy: 1.6306815210401928
Energy: 1.4646731000431101
Energy: 1.236560299218013
Energy: 1.4646731000385045
Energy: 1.7026022890870764
Energy: 1.7693176451829589
Energy: 1.4927148878139989
Energy: 1.7693176451829589
Energy: 1.7026022890870764
Energy: 1.769317645182191
Energy: 1.2193529955896485
Energy: 1.244742328644776
Energy: 1.5793384125065362
Energy: 1.2447423286455437
Energy: 1.2193529955904159
Energy: 1.244742328644776
Energy: 1.333168052142178
Energy: 1.242375430830906
Energy: 1.2227490567973407
Energy: 1.2423754308316735
Energy: 1.3331680521406426
Energy: 1.2423754308339765
Energy: 1.4825654450739238
Energy: 1.5295899344449615
Energy: 1.2418820220397035
Energy: 1.5295899344449615
Energy: 1.4825654450731558
Energy: 1.529589934444194
Energy: 1.6912196385387275
Energy: 1.3892017289082554
Energy: 1.2322701824217455
Energy: 1.3892017291928995
Energy: 1.6912196385387275
Energy: 1.389201729064778
Energy: 1.226642874825155
Energy: 1.4267466659638175
Energy: 1.4344420845915975
Energy: 1.4267466659645849
Energy: 1.226642874825155
Energy: 1.4267466659638175
Energy: 1.243221816299767
Energy: 1.42288805307168
Energy: 1.2228916784027226
Energy: 1.4228880530709125
Energy: 1.243221816299767
Energy: 1.4228880530709125
Energy: 1.5007668775706946
Energy: 1.567416702266945
Energy: 1.2176216694152584
Energy: 1.5674167022684804
Energy: 1.5007668775706946
Energy: 1.567416702266945
Energy: 1.705951768752485
Energy: 1.285161684302824
Energy: 1.2177762141491322
Energy: 1.2851616843020564
Energy: 1.7059517687517172
Energy: 1.2851616843035916
Energy: 1.2631506044638032
Energy: 1.4284645228334008
Energy: 1.2203031542309999
Energy: 1.4284645228326331
Energy: 1.2631506044638032
Energy: 1.4284645228334008
Energy: 1.2207223221123449
Energy: 1.4335667591093892
Energy: 1.4310839177061343
Energy: 1.4335667591078538
Energy: 1.2207223221131123
Energy: 1.4335667591078538
Energy: 1.4485866335387796
Energy: 1.411428037525776
Energy: 1.2359819246191772
Energy: 1.4114280375273114
Energy: 1.4485866335387796
Energy: 1.4114280375273114
Energy: 1.4483084115221518
Energy: 1.2196638894232037
Energy: 1.242888172399129
Energy: 1.219663889422436
Energy: 1.4483084115129403
Energy: 1.2196638894232037
Energy: 1.2445012958021375
Energy: 1.2450855597416823
Energy: 1.224113200985954
Energy: 1.245085559740147
Energy: 1.2445012958059756
Energy: 1.2450855597378443
Energy: 1.2226702978828714
Energy: 1.4072170196814027
Energy: 1.6874001189376626
Energy: 1.4072170196806353
Energy: 1.2226702978821038
Energy: 1.4072170196806353
Energy: 1.4687791065924338
Energy: 1.7662766744074694
Energy: 1.4596612536409572
Energy: 1.766276674409772
Energy: 1.4687791065931668
Energy: 1.766276674408237
Energy: 1.2350764689004508
Energy: 1.4694761261888312
Energy: 1.6453363555488965
Energy: 1.4694761261842255
Energy: 1.2350764689012184
Energy: 1.4694761261880636
Energy: 1.6166522441360538
Energy: 1.3056431535376298
Energy: 1.2269772222843103
Energy: 1.305643153539165
Energy: 1.6166522441345188
Energy: 1.3056431535383974
Energy: 1.2260366862571535
Energy: 1.4883908729298467
Energy: 1.569404888224057
Energy: 1.4883908729313824
Energy: 1.2260366862556182
Energy: 1.4883908729290793
Energy: 1.4659995967029629
Energy: 1.5445821859519075
Energy: 1.533779759506772
Energy: 1.5445821859833446
Energy: 1.4659995966975896
Energy: 1.544582185929647
Energy: 1.2227568321721336
Energy: 1.6443006866640415
Energy: 1.7058261349802848
Energy: 1.6443006866655767
Energy: 1.2227568321729012
Energy: 1.644300686664809

minimum gb energy = 1.2171901605193183 eV
minimum distance =  2.18604142447007 Angstroms
sigma value = 41


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

Energy: 1.0843925322675112
Energy: 1.0549008568242049
Energy: 1.8066730335957937
Energy: 1.054900856822109
Energy: 1.0843925322675112
Energy: 1.054900856822109
Energy: 1.6146952762446947
Energy: 1.058223984293271
Energy: 1.0515732794127057
Energy: 1.058223984293271
Energy: 1.6146952762446947
Energy: 1.058223984293271
Energy: 1.085097062728795
Energy: 1.2338520781668898
Energy: 1.0532931672807642
Energy: 1.2338520781689857
Energy: 1.085097062728795
Energy: 1.2338520781689857
Energy: 1.647634757268452
Energy: 1.0570570020489867
Energy: 1.0515940925007132
Energy: 1.0570570020489867
Energy: 1.6476347572642605
Energy: 1.0570570020489867
Energy: 1.0822757803288925
Energy: 1.4418356152005773
Energy: 1.0539717627016105
Energy: 1.441835615196386
Energy: 1.0822757803267966
Energy: 1.4418356151984817
Energy: 1.0802553425403314
Energy: 1.0889145941892706
Energy: 1.0515031802040444
Energy: 1.0889145941913665
Energy: 1.080255348313811
Energy: 1.0889145941913665
Energy: 1.644177577567031
Energy: 1.0584159326459865
Energy: 1.0556077061177809
Energy: 1.0584159326459865
Energy: 1.644177577567031
Energy: 1.0584159326459865
Energy: 1.0865451395575996
Energy: 1.055486034699104
Energy: 1.0522956008180278
Energy: 1.055486034697008
Energy: 1.0865451395555041
Energy: 1.055486034697008
Energy: 1.5862649420549213
Energy: 1.09266228778322
Energy: 1.0571443199769994
Energy: 1.09266228778322
Energy: 1.5862649420549213
Energy: 1.09266228778322
Energy: 1.0867989981083273
Energy: 1.4398212385742724
Energy: 1.056544081849922
Energy: 1.4398212385721763
Energy: 1.0867989981083273
Energy: 1.4398212385742724
Energy: 1.6024670973294186
Energy: 1.0553204119205302
Energy: 1.0586806156638684
Energy: 1.055320411918434
Energy: 1.6024670973294186
Energy: 1.0553204119205302
Energy: 1.0963323028344742
Energy: 1.229317262335886
Energy: 1.6505465471583791
Energy: 1.229317262335886
Energy: 1.0963323028344742
Energy: 1.229317262335886
Energy: 1.6024876679895923
Energy: 1.0552695682634092
Energy: 1.0587036661058986
Energy: 1.055269568267601
Energy: 1.6024876679895923
Energy: 1.0552695682655053
Energy: 1.0867782172605414
Energy: 1.4402112202962745
Energy: 1.056593942424204
Energy: 1.4402112202962745
Energy: 1.0867782172605414
Energy: 1.4402112202941784

minimum gb energy = 1.0515031802040444 eV
minimum distance =  2.21527513976144 Angstroms
sigma value = 11


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

Energy: 1.5827316171730683
Energy: 1.271187512401349
Energy: 1.772594988345996
Energy: 1.271187512401349
Energy: 1.5827316171730683
Energy: 1.271187512401349
Energy: 1.533283258770505
Energy: 1.5754759161489025
Energy: 1.2541089975697695
Energy: 1.575475916164554
Energy: 1.533283258770505
Energy: 1.575475916164554
Energy: 1.2561546684387683
Energy: 1.373543926089887
Energy: 1.2551983733684051
Energy: 1.3735439260908073
Energy: 1.2561546684387683
Energy: 1.3735439260908073
Energy: 1.2742792751731429
Energy: 1.2778943195624322
Energy: 1.256560570868807
Energy: 1.2778943195624322
Energy: 1.2742792751713012
Energy: 1.2778943195624322
Energy: 1.4882320279382992
Energy: 1.4511107515223276
Energy: 1.2731128464653079
Energy: 1.451110751521407
Energy: 1.4882320279382992
Energy: 1.451110751521407
Energy: 1.291401236029855
Energy: 1.4789247814008275
Energy: 1.473139991697887
Energy: 1.4789247814008275
Energy: 1.291401236029855
Energy: 1.4789247814008275
Energy: 1.2775995833702467
Energy: 1.524179106794013
Energy: 1.3125242880050014
Energy: 1.5241791067921715
Energy: 1.2775995833702467
Energy: 1.524179106794013
Energy: 1.2563300748860244
Energy: 1.281647527350115
Energy: 1.397810237496336
Energy: 1.281647527350115
Energy: 1.2563300748860244
Energy: 1.281647527349194
Energy: 1.5428867567291764
Energy: 1.3366854159598351
Energy: 1.2573627232131512
Energy: 1.3366854159589143
Energy: 1.5428867567291764
Energy: 1.3366854159589143
Energy: 1.2579853007366775
Energy: 1.4574606182664356
Energy: 1.353691396736058
Energy: 1.4574606182655152
Energy: 1.2579853007366775
Energy: 1.4574606182655152
Energy: 1.4844425536616432
Energy: 1.5962192446105834
Energy: 1.5431645761566126
Energy: 1.5962192446096628
Energy: 1.4844425536616432
Energy: 1.5962192446105834
Energy: 1.2562269782089097
Energy: 1.482982197471841
Energy: 1.4801153204639437
Energy: 1.482982197471841
Energy: 1.2562269782089097
Energy: 1.482982197471841
Energy: 1.2558999639881452
Energy: 1.3713949566804018
Energy: 1.4912809597147245
Energy: 1.3713949566794812
Energy: 1.2558999639890658
Energy: 1.3713949566804018
Energy: 1.272339376118382
Energy: 1.342120205081894
Energy: 1.2720736032168947
Energy: 1.342120205080973
Energy: 1.2723393761174613
Energy: 1.342120205080973
Energy: 1.2546238071295055
Energy: 1.5208657920528426
Energy: 1.4731780709137419
Energy: 1.5208657920528426
Energy: 1.2546238071295055
Energy: 1.5208657920528426
Energy: 1.609063367544139
Energy: 1.5514089155298558
Energy: 1.2920526596175468
Energy: 1.5514089155307766
Energy: 1.6090633675432184
Energy: 1.5514089155307766
Energy: 1.3124444012562364
Energy: 1.5245469313499682
Energy: 1.4383478529454894
Energy: 1.524546931353651
Energy: 1.3124444012562364
Energy: 1.524546931353651
Energy: 1.473087015163873
Energy: 1.5206943355701592
Energy: 1.2562005013896607
Energy: 1.5206943355710798
Energy: 1.473087015163873
Energy: 1.5206943355701592
Energy: 1.2719319235494484
Energy: 1.3716975643062794
Energy: 1.269937852559492
Energy: 1.371697564301697
Energy: 1.2719319235485276
Energy: 1.3716975643099625
Energy: 1.2590847800698688
Energy: 1.3725034842450987
Energy: 1.2544505638894323
Energy: 1.372503484244178
Energy: 1.2590847800698688
Energy: 1.372503484244178
Energy: 1.4704814205882353
Energy: 1.3973454070491675
Energy: 1.2548559400700012
Energy: 1.3973454070132607
Energy: 1.4704814205873145
Energy: 1.3973454069819786
Energy: 1.5368851554370868
Energy: 1.5972726529746348
Energy: 1.4824509174834741
Energy: 1.5972726529746348
Energy: 1.536885155442611
Energy: 1.5972726529727934
Energy: 1.2702322231758978
Energy: 1.457453218271509
Energy: 1.2788286176863257
Energy: 1.4574532182724294
Energy: 1.2702322231758978
Energy: 1.4574532182724294
Energy: 1.25647861261189
Energy: 1.342149637987377
Energy: 1.543832563642254
Energy: 1.3421496379882976
Energy: 1.2564786126128105
Energy: 1.3421496379882976
Energy: 1.2554857511860573
Energy: 1.280618980798032
Energy: 1.2556508428034985
Energy: 1.280618980798032
Energy: 1.2554857511860573
Energy: 1.2806189807971111
Energy: 1.291289763310787
Energy: 1.4385405003344305
Energy: 1.2767749631341954
Energy: 1.4385405003344305
Energy: 1.2912897633098663
Energy: 1.4385405003344305
Energy: 1.4736111970863086
Energy: 1.4815242817198346
Energy: 1.487732827738808
Energy: 1.4815242817216758
Energy: 1.4736111970863086
Energy: 1.4815242817207555
Energy: 1.2712831897589165
Energy: 1.440499351180268
Energy: 1.2915599662928952
Energy: 1.440499351180268
Energy: 1.2712831897589165
Energy: 1.4404993511793471
Energy: 1.259099713648762
Energy: 1.2791308675360014
Energy: 1.2745015987801476
Energy: 1.2791308675350805
Energy: 1.2590997136478415
Energy: 1.2791308675360014
Energy: 1.2600046983928213
Energy: 1.373531992620461
Energy: 1.2569209057214068
Energy: 1.3735319926195404
Energy: 1.2600046983928213
Energy: 1.3735319926195404
Energy: 1.2585010192774853
Energy: 1.574761417760316
Energy: 1.6154536575485696
Energy: 1.5747614177593952
Energy: 1.2585010192774853
Energy: 1.5747614177593952

minimum gb energy = 1.2541089975697695 eV
minimum distance =  2.19077827403504 Angstroms
sigma value = 57


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

Energy: 1.3664014544884997
Energy: 1.3548473947669064
Energy: 1.6654807445801243
Energy: 1.3548473947652682
Energy: 1.3664014544884997
Energy: 1.3548473947652682
Energy: 1.3228425892698217
Energy: 1.334553444162565
Energy: 1.3111233807525242
Energy: 1.3345534441609268
Energy: 1.3228425892698217
Energy: 1.334553444162565
Energy: 1.3186545091848414
Energy: 1.3603505897750086
Energy: 1.3116411949437798
Energy: 1.3603505897750086
Energy: 1.3186545091864799
Energy: 1.3603505897750086
Energy: 1.3113390147481228
Energy: 1.7374364087345229
Energy: 1.312577359468386
Energy: 1.7374364087328844
Energy: 1.3113390147513995
Energy: 1.7374364087328844
Energy: 1.3116066388808651
Energy: 1.3602834429232529
Energy: 1.3125150334592521
Energy: 1.3602834429232529
Energy: 1.3116066388825034
Energy: 1.3602834429232529
Energy: 1.3174201261917597
Energy: 1.3346553804544135
Energy: 1.3225685932718387
Energy: 1.334655380452775
Energy: 1.3174201261901215
Energy: 1.3346553804544135
Energy: 1.534184767539305
Energy: 1.3548473947652682
Energy: 1.366401454490138
Energy: 1.3548473947669064
Energy: 1.5341847675409432
Energy: 1.3548473947669064
Energy: 1.3111233807525242
Energy: 1.334553444162565
Energy: 1.3228425892698217
Energy: 1.334553444162565
Energy: 1.3111233807525242
Energy: 1.334553444162565
Energy: 1.3116411949437798
Energy: 1.3603505897750086
Energy: 1.3186545091832031
Energy: 1.3603505897750086
Energy: 1.3116411949437798
Energy: 1.3603505897750086
Energy: 1.312577359468386
Energy: 1.4604727116197431
Energy: 1.3113390147497612
Energy: 1.7374364087345229
Energy: 1.3125773594700243
Energy: 1.460472757129821
Energy: 1.3125150334576139
Energy: 1.3602834429248913
Energy: 1.3116066388825034
Energy: 1.3602834429248913
Energy: 1.3125150334576139
Energy: 1.3602834429248913
Energy: 1.3225685932751154
Energy: 1.3346553804544135
Energy: 1.3174201261917597
Energy: 1.3346553804544135
Energy: 1.3225685932751154
Energy: 1.3346553804544135
Energy: 1.3664014544884997
Energy: 1.3548473947669064
Energy: 1.5341847675442202
Energy: 1.3548473947652682
Energy: 1.3664014544884997
Energy: 1.3548473947652682
Energy: 1.3228425892730986
Energy: 1.3345534441609268
Energy: 1.3111233807525242
Energy: 1.3345534441609268
Energy: 1.3228425892730986
Energy: 1.334553444162565
Energy: 1.3186545091815647
Energy: 1.3603505897750086
Energy: 1.3116411949437798
Energy: 1.3603505897750086
Energy: 1.3186545091848414
Energy: 1.3603505897750086
Energy: 1.3113390147497612
Energy: 1.3833035705983288
Energy: 1.312577359468386
Energy: 1.3833035716824456
Energy: 1.3113390147497612
Energy: 1.4604720402534772
Energy: 1.3116066388825034
Energy: 1.3602834429232529
Energy: 1.3125150334592521
Energy: 1.3602834429232529
Energy: 1.3116066388825034
Energy: 1.3602834429232529

minimum gb energy = 1.3111233807525242 eV
minimum distance =  2.22279461788282 Angstroms
sigma value = 9


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

Energy: 1.4632763174559493
Energy: 1.4304380280933313
Energy: 1.692242971403068
Energy: 1.430438028096007
Energy: 1.4632763174572874
Energy: 1.430438028096007
Energy: 1.3712687990469075
Energy: 1.4373469172289748
Energy: 1.3452521747780644
Energy: 1.4373469172316502
Energy: 1.3712687990455696
Energy: 1.4373469172303124
Energy: 1.3493788799492927
Energy: 1.4077124967913501
Energy: 1.3468809856577502
Energy: 1.4077124967900123
Energy: 1.3493788799506305
Energy: 1.4077124967887051
Energy: 1.3494367539009673
Energy: 1.3377352385381156
Energy: 1.3766532810711856
Energy: 1.337735238540791
Energy: 1.3494367539009673
Energy: 1.3377352385420984
Energy: 1.3704592835228473
Energy: 1.431815556673285
Energy: 1.347956586293995
Energy: 1.431815556673285
Energy: 1.3704592835228473
Energy: 1.431815556673285
Energy: 1.3488426779441063
Energy: 1.3644110052657556
Energy: 1.565008901708887
Energy: 1.3644110052630802
Energy: 1.3488426779441063
Energy: 1.3644110052630802
Energy: 1.3517991659471498
Energy: 1.4085942753817207
Energy: 1.348547131654202
Energy: 1.4085942753777076
Energy: 1.3517991659471498
Energy: 1.4085942753790452
Energy: 1.397947233720842
Energy: 1.476806334296042
Energy: 1.3455857213808649
Energy: 1.476806334296042
Energy: 1.3979472337195045
Energy: 1.476806334296042
Energy: 1.39768105763441
Energy: 1.4050116227686757
Energy: 1.3532375702547552
Energy: 1.4050116227713207
Energy: 1.39768105763441
Energy: 1.4050116227713207
Energy: 1.3510510181134607
Energy: 1.447242997214143
Energy: 1.3632454881516767
Energy: 1.4472429972128054
Energy: 1.3510510181107853
Energy: 1.4472429972128054
Energy: 1.3516496323357576
Energy: 1.3516809621272645
Energy: 1.376861132806501
Energy: 1.3516809621219137
Energy: 1.35164963233442
Energy: 1.3516809621219137
Energy: 1.3484800623279483
Energy: 1.4081286095374361
Energy: 1.4104253320515656
Energy: 1.4081286095360985
Energy: 1.3484800623279483
Energy: 1.4081286095360985
Energy: 1.3508127470010176
Energy: 1.4097070208478113
Energy: 1.4008436447333936
Energy: 1.409707020849149
Energy: 1.3508127470010176
Energy: 1.409707020849149
Energy: 1.3484241553351035
Energy: 1.3772839648146253
Energy: 1.3512294845515587
Energy: 1.3772839648159632
Energy: 1.3484241553364413
Energy: 1.3772839648159632
Energy: 1.5376072109357157
Energy: 1.4467855883112908
Energy: 1.3609271066545205
Energy: 1.4467855883126284
Energy: 1.5376072109357157
Energy: 1.4467855883126284
Energy: 1.3975617075284175
Energy: 1.4051914152701304
Energy: 1.3849554310015633
Energy: 1.4051914152728058
Energy: 1.3975617075284175
Energy: 1.4051914152687923
Energy: 1.4034990638286504
Energy: 1.4046607447380683
Energy: 1.3777918333225656
Energy: 1.4046607447394062
Energy: 1.4034990638286504
Energy: 1.4046607447394062
Energy: 1.4383171367162104
Energy: 1.4453154412689593
Energy: 1.3628354353764534
Energy: 1.4453154412702973
Energy: 1.4383171367162104
Energy: 1.4453154412702973
Energy: 1.3512026722369628
Energy: 1.3395090541757964
Energy: 1.353369245640119
Energy: 1.3395090541771342
Energy: 1.3512026722369628
Energy: 1.3395090541744588
Energy: 1.349347541906161
Energy: 1.4305133364926514
Energy: 1.3468759364858511
Energy: 1.4305133364966647
Energy: 1.3493475419074987
Energy: 1.4305133364966647
Energy: 1.3511705396193923
Energy: 1.338867198095544
Energy: 1.3806900128402864
Energy: 1.3388671980942062
Energy: 1.3511705396193923
Energy: 1.338867198095544

minimum gb energy = 1.3377352385381156 eV
minimum distance =  2.22365536428562 Angstroms
sigma value = 27


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

Energy: 1.51129080433585
Energy: 1.5735516865465837
Energy: 1.5355931527234985
Energy: 1.5735516865465837
Energy: 1.51129080433585
Energy: 1.5735516865465837
Energy: 1.4211239646882534
Energy: 1.4299110974280265
Energy: 1.3791400180338025
Energy: 1.429911097426899
Energy: 1.4211239646882534
Energy: 1.4299110974280265
Energy: 1.3451986152524902
Energy: 1.4680956233154825
Energy: 1.378952778116736
Energy: 1.4680956233132272
Energy: 1.3451986152524902
Energy: 1.4680956233154825
Energy: 1.3780425167467047
Energy: 1.3884280229582888
Energy: 1.4092954261396027
Energy: 1.3884280229571613
Energy: 1.3780425167467047
Energy: 1.3884280229582888
Energy: 1.3178970299275856
Energy: 1.4139595835067713
Energy: 1.3434397552051913
Energy: 1.4139595835033882
Energy: 1.3178970299275856
Energy: 1.4139595835372165
Energy: 1.3710168762476105
Energy: 1.3592849266291551
Energy: 1.3584286939128851
Energy: 1.3592849266291551
Energy: 1.3710168762487382
Energy: 1.3592849266291551
Energy: 1.3520824170567878
Energy: 1.375403540650885
Energy: 1.3655081440009158
Energy: 1.375403540650885
Energy: 1.3520824170567878
Energy: 1.375403540650885
Energy: 1.3488303535535056
Energy: 1.4105109615900433
Energy: 1.3660594737408571
Energy: 1.4105109615889158
Energy: 1.3488303535535056
Energy: 1.4105109615889158
Energy: 1.4425328444384071
Energy: 1.396640112067814
Energy: 1.553969199122523
Energy: 1.3966401120689418
Energy: 1.4425328444384071
Energy: 1.3966401120689418
Energy: 1.3639155525897109
Energy: 1.481044753660149
Energy: 1.398637530184704
Energy: 1.4810447536612767
Energy: 1.3639155525897109
Energy: 1.481044753660149
Energy: 1.3490555749552564
Energy: 1.4414120480873882
Energy: 1.3985565184980815
Energy: 1.4414120480873882
Energy: 1.3490555749541289
Energy: 1.4414120480885158
Energy: 1.4424773075148203
Energy: 1.3964069294441324
Energy: 1.3564728470669078
Energy: 1.3964069294430048
Energy: 1.442477307512565
Energy: 1.3964069294418773
Energy: 1.364378084224568
Energy: 1.4849734912631116
Energy: 1.365514401510027
Energy: 1.4849734912642392
Energy: 1.3643780842234403
Energy: 1.4849734912642392
Energy: 1.3494358597470855
Energy: 1.4280842344659115
Energy: 1.3661442861252415
Energy: 1.4280842344659115
Energy: 1.3494358597470855
Energy: 1.4280842344659115
Energy: 1.377546929359784
Energy: 1.360207475082292
Energy: 1.3584212420185613
Energy: 1.360207475082292
Energy: 1.377546929359784
Energy: 1.3602074750811644
Energy: 1.3177143332266876
Energy: 1.4139595834988778
Energy: 1.3429692094602153
Energy: 1.4139595835338334
Energy: 1.3177143332266876
Energy: 1.4139595835067713
Energy: 1.3779614430513754
Energy: 1.3885353012022132
Energy: 1.3325381757892083
Energy: 1.3885353012010855
Energy: 1.3779614430513754
Energy: 1.3885353012010855
Energy: 1.3448911121085891
Energy: 1.459674078297585
Energy: 1.3791395147418215
Energy: 1.4596740782987125
Energy: 1.3448911121085891
Energy: 1.4596740782987125
Energy: 1.385044434603803
Energy: 1.555745987351315
Energy: 1.3791836083382274
Energy: 1.5557459873535704
Energy: 1.3850444346049309
Energy: 1.5557459873535704
Energy: 1.51129080433585
Energy: 1.5735516865465837
Energy: 1.5350689237181765
Energy: 1.573551686547711
Energy: 1.51129080433585
Energy: 1.573551686547711
Energy: 1.4211239646882534
Energy: 1.4299110974280265
Energy: 1.3791400180349302
Energy: 1.4299110974280265
Energy: 1.4211239646882534
Energy: 1.4299110974280265
Energy: 1.3451986152524902
Energy: 1.4680956233177376
Energy: 1.378952778116736
Energy: 1.4680956233256308
Energy: 1.3451986152524902
Energy: 1.4680956233177376
Energy: 1.3780425167467047
Energy: 1.3884280229560337
Energy: 1.409295426138475
Energy: 1.3884280229582888
Energy: 1.3780425167467047
Energy: 1.3884280229571613
Energy: 1.3178970299264579
Energy: 1.4139595835428544
Energy: 1.3434397552051913
Energy: 1.4139595835033882
Energy: 1.3178970299275856
Energy: 1.4139595835451095
Energy: 1.3710168762476105
Energy: 1.3592849266314104
Energy: 1.3584286939117574
Energy: 1.3592849266302829
Energy: 1.3710168762476105
Energy: 1.3592849266302829

minimum gb energy = 1.3177143332266876 eV
minimum distance =  2.22471289161586 Angstroms
sigma value = 19


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

Energy: 1.4701427462938574
Energy: 1.2715376091791293
Energy: 1.5329539522446745
Energy: 1.2715376091791293
Energy: 1.4701427462938574
Energy: 1.2715376091791293
Energy: 1.2743334539822457
Energy: 1.3985464560062162
Energy: 1.2561410256795222
Energy: 1.3985464560042697
Energy: 1.2743334539822457
Energy: 1.398546456003296
Energy: 1.272463985042138
Energy: 1.3469005340824642
Energy: 1.2563910986112445
Energy: 1.346900534084411
Energy: 1.272463985042138
Energy: 1.346900534084411
Energy: 1.3207027113096337
Energy: 1.37579930650359
Energy: 1.2963227105854584
Energy: 1.3757993065055367
Energy: 1.3207027113106071
Energy: 1.3757993065055367
Energy: 1.2852052730678516
Energy: 1.3056700827290713
Energy: 1.3011830729606653
Energy: 1.3056700827251781
Energy: 1.2852052730678516
Energy: 1.3056700827251781
Energy: 1.2746478946579627
Energy: 1.358018251423977
Energy: 1.2997418952793967
Energy: 1.358018251423977
Energy: 1.2746478946579627
Energy: 1.3580182514230035
Energy: 1.2937698190468268
Energy: 1.3685280263697905
Energy: 1.2950516662661742
Energy: 1.368528026371737
Energy: 1.2937698190468268
Energy: 1.368528026371737
Energy: 1.2851515348610831
Energy: 1.304917576416318
Energy: 1.3005408682790325
Energy: 1.3049175764124246
Energy: 1.2851515348620568
Energy: 1.3049175764124246
Energy: 1.2935224464691184
Energy: 1.3580229712759009
Energy: 1.3459510265998096
Energy: 1.3580229712778475
Energy: 1.293522446470092
Energy: 1.3580229712778475
Energy: 1.2848330769390874
Energy: 1.3783043778219024
Energy: 1.2564546107544918
Energy: 1.378304377823849
Energy: 1.2848330769390874
Energy: 1.3783043778248223
Energy: 1.2835925575016132
Energy: 1.3606620134639251
Energy: 1.2571300567813128
Energy: 1.360662013462952
Energy: 1.2835925575016132
Energy: 1.360662013462952
Energy: 1.2993728238170017
Energy: 1.4548262417367348
Energy: 1.2569178484732748
Energy: 1.4548262417367348
Energy: 1.2993728238160283
Energy: 1.4548262417357614
Energy: 1.2990117259755058
Energy: 1.454639476546844
Energy: 1.2564083636881624
Energy: 1.4546394765507373
Energy: 1.2990117259745326
Energy: 1.4546394765546304
Energy: 1.2722411426838207
Energy: 1.3610975033334265
Energy: 1.370703033041168
Energy: 1.3610975033334265
Energy: 1.2722411426838207
Energy: 1.3610975033334265
Energy: 1.2934287031649365
Energy: 1.3753959295860751
Energy: 1.2567381331434877
Energy: 1.3753959295860751
Energy: 1.293428703163963
Energy: 1.3753959295860751
Energy: 1.291925401398929
Energy: 1.3047930631644282
Energy: 1.2582894452048206
Energy: 1.3047930631624816
Energy: 1.291925401398929
Energy: 1.304793063163455
Energy: 1.2724547008599756
Energy: 1.3042789604478895
Energy: 1.258033245388086
Energy: 1.3042789604478895
Energy: 1.2724547008609488
Energy: 1.3042789604478895
Energy: 1.2919775191241831
Energy: 1.4457420624908282
Energy: 1.2564314894400261
Energy: 1.4457420624879083
Energy: 1.2919775191241831
Energy: 1.4457420624879083
Energy: 1.2724135538323693
Energy: 1.304245507917217
Energy: 1.2580431682752766
Energy: 1.304245507917217
Energy: 1.2724135538333425
Energy: 1.3042455079181903
Energy: 1.2919330098541586
Energy: 1.3048062839325016
Energy: 1.2582596605827383
Energy: 1.3048062839354215
Energy: 1.2919330098541586
Energy: 1.3048062839354215
Energy: 1.2935468412485303
Energy: 1.3761467377211323
Energy: 1.25766444387514
Energy: 1.3761467377201588
Energy: 1.2935468412485303
Energy: 1.3761467377201588
Energy: 1.2720776429315341
Energy: 1.3613205419791372
Energy: 1.3706690843710014
Energy: 1.3613205419801107
Energy: 1.2720776429315341
Energy: 1.3613205419810839
Energy: 1.2989246006756245
Energy: 1.4544504786304584
Energy: 1.256205612146786
Energy: 1.4544504787238546
Energy: 1.2989246006756245
Energy: 1.4544504787481882
Energy: 1.299055153768706
Energy: 1.4548506903275085
Energy: 1.2571902535547417
Energy: 1.4548506903411131
Energy: 1.299055153768706
Energy: 1.4548506903430598
Energy: 1.2835654918306472
Energy: 1.3602445129540135
Energy: 1.2581042852500528
Energy: 1.3602445129569334
Energy: 1.2835654918306472
Energy: 1.3602445129569334
Energy: 1.2846181413441002
Energy: 1.3784542437760159
Energy: 1.2564571434537137
Energy: 1.3784542437750427
Energy: 1.2846181413441002
Energy: 1.3784542437769893
Energy: 1.2935718635436015
Energy: 1.358090205290853
Energy: 1.345951026598836
Energy: 1.3580902052918264
Energy: 1.2935718635455484
Energy: 1.358090205290853
Energy: 1.2850756783820831
Energy: 1.305063344110153
Energy: 1.3006285101844048
Energy: 1.3050633441120993
Energy: 1.2850756783820831
Energy: 1.3050633441120993
Energy: 1.2939228883884597
Energy: 1.368528026371737
Energy: 1.2950788430253195
Energy: 1.3685280263707638
Energy: 1.2939228883884597
Energy: 1.368528026371737

minimum gb energy = 1.2561410256795222 eV
minimum distance =  2.21872731653278 Angstroms
sigma value = 101


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

Energy: 1.4516494492667402
Energy: 1.3275246246546448
Energy: 1.4699519778822625
Energy: 1.3275246246555006
Energy: 1.4516494492658845
Energy: 1.3275246246546448
Energy: 1.234089512440449
Energy: 1.3297402172982322
Energy: 1.2335046276957773
Energy: 1.3297402172973765
Energy: 1.234089512440449
Energy: 1.329740217296521
Energy: 1.2181215488402297
Energy: 1.3364906233194196
Energy: 1.2596555786583468
Energy: 1.3364906233202751
Energy: 1.2181215488402297
Energy: 1.3364906233194196
Energy: 1.2523818087596266
Energy: 1.294656085105706
Energy: 1.2408826851687877
Energy: 1.294656085103995
Energy: 1.2523818087604826
Energy: 1.2946560851031392
Energy: 1.2069606086247493
Energy: 1.2772325066363783
Energy: 1.218370669337337
Energy: 1.2772325066372339
Energy: 1.2069606086247493
Energy: 1.2772325066372339
Energy: 1.2210072778648988
Energy: 1.3412046426206083
Energy: 1.2060439927130981
Energy: 1.341204642621464
Energy: 1.2210072778657544
Energy: 1.341204642621464
Energy: 1.2183276748739607
Energy: 1.3491312616543307
Energy: 1.2068951216043353
Energy: 1.3491312616543307
Energy: 1.2183276748739607
Energy: 1.3491312616551865
Energy: 1.2177888545173867
Energy: 1.3463649406968723
Energy: 1.2179885892929079
Energy: 1.3463649406968723
Energy: 1.2177888545165312
Energy: 1.346364940697728
Energy: 1.2064363870221575
Energy: 1.3144416446410427
Energy: 1.2185698796647455
Energy: 1.3144416446401868
Energy: 1.2064363870221575
Energy: 1.3144416446410427
Energy: 1.2063351005579563
Energy: 1.303173364995921
Energy: 1.2070378295006503
Energy: 1.303173364995921
Energy: 1.2063351005605232
Energy: 1.3031733649967767
Energy: 1.2675846498224026
Energy: 1.2914875109693629
Energy: 1.2863387740922525
Energy: 1.2914875109693629
Energy: 1.2675846498215473
Energy: 1.2914875109702184
Energy: 1.2333859509313847
Energy: 1.3350103803283313
Energy: 1.2059705198231532
Energy: 1.3350103803283313
Energy: 1.2333859509305292
Energy: 1.3350103803283313
Energy: 1.2350476494784985
Energy: 1.3365206679540709
Energy: 1.2522394990554053
Energy: 1.3365206679540709
Energy: 1.2350476494784985
Energy: 1.3365206679532153
Energy: 1.2584107590200286
Energy: 1.2354990602238745
Energy: 1.2341683295328745
Energy: 1.2354990602213074
Energy: 1.2584107590200286
Energy: 1.235499060220452
Energy: 1.2057515295898684
Energy: 1.5181418364278538
Energy: 1.2335221153776925
Energy: 1.5181418364287094
Energy: 1.2057515295898684
Energy: 1.518141836429565
Energy: 1.2779206680772832
Energy: 1.3359689676103697
Energy: 1.2173743749814616
Energy: 1.3359689676095141
Energy: 1.2779206680764275
Energy: 1.3359689676103697
Energy: 1.2072537661227545
Energy: 1.3448832502777877
Energy: 1.251349103733361
Energy: 1.3448832502948997
Energy: 1.2072537661227545
Energy: 1.344883250276932
Energy: 1.2178769707000134
Energy: 1.277495839213645
Energy: 1.2062345274649173
Energy: 1.2774958392127893
Energy: 1.2178769707000134
Energy: 1.2774958392127893
Energy: 1.2163709180447273
Energy: 1.3010542060357484
Energy: 1.219055849896385
Energy: 1.3010542060357484
Energy: 1.2163709180447273
Energy: 1.3010542060357484
Energy: 1.206745439755375
Energy: 1.4234582755237473
Energy: 1.2065911474004394
Energy: 1.4234582755237473
Energy: 1.206745439755375
Energy: 1.4234582755237473
Energy: 1.228999827456903
Energy: 1.2766526456948044
Energy: 1.2184756230194755
Energy: 1.2766526456948044
Energy: 1.228999827456903
Energy: 1.2766526456948044
Energy: 1.2060734417564212
Energy: 1.3009283464721433
Energy: 1.206152140764571
Energy: 1.300928330507575
Energy: 1.2060734417564212
Energy: 1.3009283541581333
Energy: 1.2186295618151342
Energy: 1.3018045425587679
Energy: 1.2066544131348778
Energy: 1.3018045425587679
Energy: 1.2186295618151342
Energy: 1.3018045425587679
Energy: 1.2522189220204936
Energy: 1.3461066478477197
Energy: 1.2655214273845312
Energy: 1.346106647849431
Energy: 1.2522189220204936
Energy: 1.3461066478485753
Energy: 1.206751942067035
Energy: 1.4491149040732254
Energy: 1.2058291784403894
Energy: 1.4491149040732254
Energy: 1.206751942067035
Energy: 1.4491149040732254
Energy: 1.2324206070812131
Energy: 1.3355150846724553
Energy: 1.2781671335631968
Energy: 1.3355150846715997
Energy: 1.2324206070812131
Energy: 1.3355150846724553
Energy: 1.2343402991008803
Energy: 1.3987867641462375
Energy: 1.2064062642604463
Energy: 1.3987867641453817
Energy: 1.2343402991008803
Energy: 1.3987867641462375
Energy: 1.2344169816371287
Energy: 1.5291604685860467
Energy: 1.2067179918573208
Energy: 1.5291604685860467
Energy: 1.2344169816371287
Energy: 1.5291604685869022
Energy: 1.322985733104063
Energy: 1.408990703722581
Energy: 1.31095223489055
Energy: 1.408990703722581
Energy: 1.322985733104063
Energy: 1.408990703722581
Energy: 1.2061753689895192
Energy: 1.3763213458308183
Energy: 1.2065656872650083
Energy: 1.3763213458299628
Energy: 1.2061753689895192
Energy: 1.376321345831674
Energy: 1.2514325823086208
Energy: 1.3458398113460182
Energy: 1.2190940856935883
Energy: 1.3458398113451622
Energy: 1.2514325823086208
Energy: 1.3458398113451622
Energy: 1.2326274248102582
Energy: 1.301251525486198
Energy: 1.2059300455660777
Energy: 1.3012515254853423
Energy: 1.2326274248094027
Energy: 1.301251525486198
Energy: 1.20670529877404
Energy: 1.3212493133953946
Energy: 1.218151123762442
Energy: 1.3212493133962504
Energy: 1.2067052987731846
Energy: 1.3212493133971062

minimum gb energy = 1.2057515295898684 eV
minimum distance =  2.22499180237553 Angstroms
sigma value = 33


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

Energy: 0.014457170165614038
Energy: 0.015108520171956076
Energy: 1.3542568745573604
Energy: 0.01510852017124518
Energy: 0.014457170165614038
Energy: 0.015108520171956076
Energy: 0.014605457957650553
Energy: 0.6564978889255039
Energy: 0.014605457956939651
Energy: 0.6564978889241216
Energy: 0.014605457957650553
Energy: 0.6564978889255039
Energy: 1.3542568745566494
Energy: 0.015108520171956076
Energy: 0.014457170164903138
Energy: 0.015108520171956076
Energy: 1.3542568745573604
Energy: 0.015108520171956076
Energy: 0.014605457957650553
Energy: 0.6564978889241216
Energy: 0.014605457957650553
Energy: 0.6564978889241216
Energy: 0.014605457956939651
Energy: 0.6564978889255039

minimum gb energy = 0.014457170164903138 eV
minimum distance =  2.41169357286761 Angstroms
sigma value = 1