Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.280336240308329
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: 0.013146061544795891
Energy: 0.01361468038467925
Energy: 0.4495303763080048
Energy: 0.01361468038467925
Energy: 0.013146061544795891
Energy: 0.01361468038467925
Energy: 0.01361468038467925
Energy: 2.697588950776552
Energy: 0.01361468038467925
Energy: 2.196451716418701
Energy: 0.01361468038467925
Energy: 2.196451716418701
Energy: 0.4495303763080048
Energy: 0.01361468038467925
Energy: 0.013146061544795891
Energy: 0.01361468038467925
Energy: 0.4495303763080048
Energy: 0.01361468038467925
Energy: 0.01361468038467925
Energy: 2.196451716418701
Energy: 0.01361468038467925
Energy: 2.196451716418701
Energy: 0.01361468038467925
Energy: 2.1964517164191992
Energy: 0.0131460615452666
Energy: 0.01361468038467925
Energy: 0.4495303763080048
Energy: 0.013614680385177647
Energy: 0.013146061544795891
Energy: 0.01361468038467925
Energy: 0.01361468038467925
Energy: 2.196451716418701
Energy: 0.01361468038467925
Energy: 2.1964517164191992
Energy: 0.01361468038467925
Energy: 2.196451716418701

minimum gb energy = 0.013146061544795891 eV
minimum distance =  2.41249909889715 Angstroms
sigma value = 1


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

Energy: 1.200409511774769
Energy: 1.3027358735754928
Energy: 1.058461189095332
Energy: 1.3027358735754928
Energy: 1.200409511774769
Energy: 1.3027358735754928
Energy: 1.2143615409994064
Energy: 1.2780688129981803
Energy: 1.213552187724263
Energy: 1.27806881299938
Energy: 1.2143615409994064
Energy: 1.2780688129981803
Energy: 1.0479151645618698
Energy: 1.277758059350039
Energy: 1.1926172013687846
Energy: 1.277758059350039
Energy: 1.0479151645618698
Energy: 1.277758059350039
Energy: 1.227020464475442
Energy: 1.191144926270875
Energy: 1.1359849185658106
Energy: 1.1911449262696754
Energy: 1.227020464475442
Energy: 1.1911449262696754
Energy: 1.220851141139437
Energy: 1.3034164856111825
Energy: 1.2207197314175982
Energy: 1.3034164856111825
Energy: 1.2208511411406364
Energy: 1.3034164856111825
Energy: 1.192678127785042
Energy: 1.2779067288647201
Energy: 1.0552139483071656
Energy: 1.2779067288647201
Energy: 1.192678127785042
Energy: 1.2779067288647201
Energy: 1.1927374028404225
Energy: 1.2776830400781263
Energy: 1.0478103686848126
Energy: 1.2776830400793262
Energy: 1.1927374028404225
Energy: 1.2776830400793262
Energy: 1.2482856049425126
Energy: 1.303124234894802
Energy: 1.0422631230700232
Energy: 1.303124234894802
Energy: 1.2482856049425126
Energy: 1.303124234894802
Energy: 1.2374501121539112
Energy: 1.1926888180332273
Energy: 1.0427290062142653
Energy: 1.1926888180332273
Energy: 1.2374501121527115
Energy: 1.1926888180320276
Energy: 1.1946155631395172
Energy: 1.2778513915773722
Energy: 1.0560999229351318
Energy: 1.2778513915773722
Energy: 1.1946155631395172
Energy: 1.2778513915773722
Energy: 1.2158640479882605
Energy: 1.204392403113661
Energy: 1.2135598054300958
Energy: 1.204392403113661
Energy: 1.2158640479882605
Energy: 1.2043924031148607
Energy: 1.0433868335306875
Energy: 1.303004349842521
Energy: 1.0433569003652665
Energy: 1.303004349842521
Energy: 1.0433868335306875
Energy: 1.303004349842521
Energy: 1.213546452073436
Energy: 1.2043924031160604
Energy: 1.2265208816070625
Energy: 1.2043924031160604
Energy: 1.213546452073436
Energy: 1.2043924031160604
Energy: 1.0560775434530143
Energy: 1.2778702928330432
Energy: 1.1945706997994563
Energy: 1.2778702928318433
Energy: 1.0560775434530143
Energy: 1.2778702928318433
Energy: 1.1321805472889166
Energy: 1.1926647721287131
Energy: 1.2374770865943128
Energy: 1.1926647721287131
Energy: 1.1321805472889166
Energy: 1.1926647721287131
Energy: 1.042332110584485
Energy: 1.3031660743048967
Energy: 1.248231521464359
Energy: 1.3031660743048967
Energy: 1.042332110584485
Energy: 1.3031660743048967
Energy: 1.0477992261695006
Energy: 1.2776842687227121
Energy: 1.1927577119735608
Energy: 1.2776842687227121
Energy: 1.0477992261695006
Energy: 1.2776842687227121
Energy: 1.0552093743007847
Energy: 1.2779138461923525
Energy: 1.192751037348797
Energy: 1.2779138461923525
Energy: 1.0552093743007847
Energy: 1.2779138461923525
Energy: 1.1228462574299378
Energy: 1.3034096820850443
Energy: 1.2208267554365524
Energy: 1.3034096820850443
Energy: 1.1228462574299378
Energy: 1.3034096820850443
Energy: 1.1359887245892797
Energy: 1.1913852541759402
Energy: 1.2268998583087023
Energy: 1.1913852541759402
Energy: 1.1359887245892797
Energy: 1.1913852541759402
Energy: 1.1925998427019038
Energy: 1.2777695130202984
Energy: 1.0479103471381175
Energy: 1.2777695130202984
Energy: 1.1925998427019038
Energy: 1.2777695130202984
Energy: 1.213553073814704
Energy: 1.2780727830215084
Energy: 1.2144534209019853
Energy: 1.2780727830203087
Energy: 1.213553073814704
Energy: 1.2780727830203087
Energy: 1.1625867427119922
Energy: 1.3027358735754928
Energy: 1.200409511774769
Energy: 1.3027358735754928
Energy: 1.162586742713192
Energy: 1.3027358735754928

minimum gb energy = 1.0422631230700232 eV
minimum distance =  2.26575319301865 Angstroms
sigma value = 33


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

Energy: 1.591326970164758
Energy: 1.3765474351135798
Energy: 1.1474815507586884
Energy: 1.3765474351135798
Energy: 1.591326970164758
Energy: 1.3765474351135798
Energy: 1.2410356355988248
Energy: 1.340074504907413
Energy: 1.3524851849263215
Energy: 1.340074504907413
Energy: 1.2410356355988248
Energy: 1.340074504907413
Energy: 1.1037509329569162
Energy: 1.3697673462426274
Energy: 1.3261290882464762
Energy: 1.3697673462426274
Energy: 1.1037509329575985
Energy: 1.3697673462426274
Energy: 1.1779576077764693
Energy: 1.2829596409490047
Energy: 1.3531387560456132
Energy: 1.2829596409490047
Energy: 1.1779576077757867
Energy: 1.2829596409490047
Energy: 1.1777299821539888
Energy: 1.34806603808595
Energy: 1.3394731294306366
Energy: 1.348066038086632
Energy: 1.1777299821539888
Energy: 1.34806603808595
Energy: 1.172284606930789
Energy: 1.349815883435968
Energy: 1.114582265888181
Energy: 1.349815883435968
Energy: 1.1722846069335187
Energy: 1.34981588343665
Energy: 1.172189897975332
Energy: 1.3497819834789262
Energy: 1.1776011194412808
Energy: 1.3497819834789262
Energy: 1.1721898979766967
Energy: 1.3497819834789262
Energy: 1.1151227124231287
Energy: 1.3483731276027657
Energy: 1.2113435717972085
Energy: 1.3483731276027657
Energy: 1.1151227124231287
Energy: 1.3483731276020832
Energy: 1.177766492207253
Energy: 1.2840543382695013
Energy: 1.1727709529161217
Energy: 1.2840543382695013
Energy: 1.177766492207253
Energy: 1.2840543382695013
Energy: 1.1716019880023913
Energy: 1.3696452375365133
Energy: 1.1774606332750586
Energy: 1.3696452375371646
Energy: 1.171601988001709
Energy: 1.3696452375371646
Energy: 1.1756111086134522
Energy: 1.422590556162744
Energy: 1.3531390686298648
Energy: 1.4225905561634264
Energy: 1.1756111086134522
Energy: 1.4225905561634264
Energy: 1.3263398275797427
Energy: 1.3492562292800803
Energy: 1.1956640381097345
Energy: 1.3492562292793981
Energy: 1.3263398275797427
Energy: 1.3492562292793981
Energy: 1.354922371509711
Energy: 1.2936259140289488
Energy: 1.178238237145056
Energy: 1.293625914029631
Energy: 1.354922371509711
Energy: 1.2936259140289488
Energy: 1.2404115736066619
Energy: 1.3703957700783467
Energy: 1.1781802377407324
Energy: 1.3703957700783467
Energy: 1.2404115736066619
Energy: 1.3703957700783467
Energy: 1.326375139507412
Energy: 1.3488734039635812
Energy: 1.301178200262687
Energy: 1.3488734039635812
Energy: 1.3263751395080945
Energy: 1.3488734039635812
Energy: 1.3260685692935232
Energy: 1.3486105478597443
Energy: 1.1956650233015316
Energy: 1.3486105478604267
Energy: 1.3260685692935232
Energy: 1.3486105478597443
Energy: 1.3396325746082625
Energy: 1.3496724881443074
Energy: 1.177223977339325
Energy: 1.3496724881443074
Energy: 1.3396325746082625
Energy: 1.3496724881443074
Energy: 1.3596747885895053
Energy: 1.338153364648155
Energy: 1.3018261915686622
Energy: 1.338153364648155
Energy: 1.3596747885895053
Energy: 1.338153364648155
Energy: 1.1147116126127576
Energy: 1.348146403317283
Energy: 1.2497021131312203
Energy: 1.348146403317283
Energy: 1.1147116126127576
Energy: 1.3481464033166006
Energy: 1.2432672578971886
Energy: 1.2838134186630799
Energy: 1.17250398363937
Energy: 1.2838134186630799
Energy: 1.2432672578971886
Energy: 1.2838134186630799
Energy: 1.3266050907496783
Energy: 1.3722577840830161
Energy: 1.1308485570015763
Energy: 1.3722577840836985
Energy: 1.3266050907496783
Energy: 1.3722577840830161
Energy: 1.2117741075404747
Energy: 1.343314164142919
Energy: 1.3528926629305724
Energy: 1.3433141641436017
Energy: 1.2117741075404747
Energy: 1.3433141641436017
Energy: 1.1771553287601735
Energy: 1.3489256897696913
Energy: 1.3394250011711069
Energy: 1.3489256897696913
Energy: 1.177155328760856
Energy: 1.3489256897696913
Energy: 1.3578649239515312
Energy: 1.3386315238540285
Energy: 1.1771259302689432
Energy: 1.3386315238540285
Energy: 1.3578649239515312
Energy: 1.3386315238540285
Energy: 1.1958022790205283
Energy: 1.3502279687444039
Energy: 1.3261858521113015
Energy: 1.3502279687444039
Energy: 1.1958022790212106
Energy: 1.3502279687444039
Energy: 1.1793963338886995
Energy: 1.3723624069893325
Energy: 1.1650233417696327
Energy: 1.3723624069886504
Energy: 1.1793963338893818
Energy: 1.3723624069886504
Energy: 1.179248884203421
Energy: 1.3721190999142023
Energy: 1.1376471467410583
Energy: 1.3721190999148847
Energy: 1.1792488842013737
Energy: 1.3721190999142023
Energy: 1.1959515730981742
Energy: 1.3498092418600751
Energy: 1.3261803162733532
Energy: 1.3498092418593926
Energy: 1.1959515730974917
Energy: 1.3498092418593926
Energy: 1.3552212697112391
Energy: 1.338624986798695
Energy: 1.1788495385357487
Energy: 1.338624986798695
Energy: 1.3552212697112391
Energy: 1.338624986798695
Energy: 1.177146585436683
Energy: 1.3491813142175524
Energy: 1.2534539622667793
Energy: 1.3491813142175524
Energy: 1.1771465854360008
Energy: 1.34918131421687
Energy: 1.211626427568536
Energy: 1.3433141641436017
Energy: 1.352917632383811
Energy: 1.3433141641442838
Energy: 1.211626427568536
Energy: 1.3433141641442838
Energy: 1.3265181139637119
Energy: 1.3722300974415116
Energy: 1.1308427976513993
Energy: 1.3722300974415116
Energy: 1.3265181139637119
Energy: 1.372230097442194
Energy: 1.243263966572573
Energy: 1.2838026136576215
Energy: 1.172364047195663
Energy: 1.2838026136576215
Energy: 1.243263966572573
Energy: 1.2838026136576215
Energy: 1.1147140075290731
Energy: 1.347865138740321
Energy: 1.1715302770900202
Energy: 1.347865138740321
Energy: 1.1147140075290731
Energy: 1.347865138740321
Energy: 1.3594350885158528
Energy: 1.338140683578436
Energy: 1.3738683958184132
Energy: 1.3381406835791185
Energy: 1.3594350885158528
Energy: 1.3381406835791185
Energy: 1.3395579225301946
Energy: 1.3496803833353954
Energy: 1.1771119737047977
Energy: 1.349680383334713
Energy: 1.3395579225301946
Energy: 1.3496803833353954
Energy: 1.3261045263796136
Energy: 1.3485920990133569
Energy: 1.1469442738056117
Energy: 1.3485920990133569
Energy: 1.3261045263802957
Energy: 1.3485920990126745
Energy: 1.3263219672555786
Energy: 1.3489116544541047
Energy: 1.3012346250913207
Energy: 1.3489116544541047
Energy: 1.326321967256261
Energy: 1.3489116544541047
Energy: 1.240419165982959
Energy: 1.3708727694910843
Energy: 1.1780849376943288
Energy: 1.370872769490402
Energy: 1.2404191659836412
Energy: 1.3708727694910843
Energy: 1.3547700859135632
Energy: 1.2936421041207653
Energy: 1.177946838971071
Energy: 1.2936421041207653
Energy: 1.3547700859142455
Energy: 1.2936421041207653
Energy: 1.3263399731515473
Energy: 1.34925536097913
Energy: 1.146922052714637
Energy: 1.34925536097913
Energy: 1.3263399731522298
Energy: 1.34925536097913

minimum gb energy = 1.1037509329569162 eV
minimum distance =  2.22483428580014 Angstroms
sigma value = 51


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

Energy: 1.4374370701918
Energy: 1.3807263221063277
Energy: 1.2754645582855055
Energy: 1.3807263221047468
Energy: 1.4374370701918
Energy: 1.3807263221047468
Energy: 1.1312824534989174
Energy: 1.3058922505222736
Energy: 1.5662422056254275
Energy: 1.3058922505222736
Energy: 1.1312824535004986
Energy: 1.3058922505206925
Energy: 1.1312498009038314
Energy: 1.3809264127314849
Energy: 1.495750557747718
Energy: 1.3809264127314849
Energy: 1.1312498009038314
Energy: 1.3809264127314849
Energy: 1.1458252630946462
Energy: 1.3306178405200089
Energy: 1.5635667775274398
Energy: 1.3306178405200089
Energy: 1.1458252630946462
Energy: 1.3306178405200089
Energy: 1.1316891658684558
Energy: 1.3333520264094105
Energy: 1.4961310871931286
Energy: 1.3333520264094105
Energy: 1.1316891658668746
Energy: 1.3333520264094105
Energy: 1.4371921718946217
Energy: 1.330691310150112
Energy: 1.5424616021008615
Energy: 1.330691310150112
Energy: 1.4371921718946217
Energy: 1.330691310150112
Energy: 1.4375583184684224
Energy: 1.3323185950497802
Energy: 1.4959265649324034
Energy: 1.3323185950497802
Energy: 1.4375583184684224
Energy: 1.3323185950497802
Energy: 1.1465771419603867
Energy: 1.3308238834535506
Energy: 1.1189287388018267
Energy: 1.3308238834551318
Energy: 1.1465771419588058
Energy: 1.3308238834551318
Energy: 1.4372589792703476
Energy: 1.3582974026632406
Energy: 1.1508037420761745
Energy: 1.3582974026648218
Energy: 1.4372589792703476
Energy: 1.3582974026648218
Energy: 1.1309302480522154
Energy: 1.3843126605823854
Energy: 1.1188376406350884
Energy: 1.3843126605823854
Energy: 1.1309302480522154
Energy: 1.3843126605839666
Energy: 1.4387587031968074
Energy: 1.3326898003252798
Energy: 1.4960835488117101
Energy: 1.3326898003236987
Energy: 1.4387587031952267
Energy: 1.3326898003236987
Energy: 1.4408787263634695
Energy: 1.3815224724386903
Energy: 1.542489644309986
Energy: 1.3815224724402713
Energy: 1.4408787263634695
Energy: 1.3815224724402713
Energy: 1.319641163206699
Energy: 1.3311345660202807
Energy: 1.4968531294441405
Energy: 1.3311345660218619
Energy: 1.319641163206699
Energy: 1.3311345660218619
Energy: 1.1308883145943707
Energy: 1.3817008600416458
Energy: 1.4961451592878212
Energy: 1.3817008600416458
Energy: 1.1308883145943707
Energy: 1.3817008600416458
Energy: 1.1310154546571942
Energy: 1.3828458952994165
Energy: 1.4964427895187755
Energy: 1.3828458952994165
Energy: 1.1310154546571942
Energy: 1.3828458952994165
Energy: 1.1316254431882047
Energy: 1.3305252756519654
Energy: 1.4964651733542846
Energy: 1.3305252756503845
Energy: 1.1316254431897856
Energy: 1.3305252756519654
Energy: 1.4371325330984965
Energy: 1.382936973455412
Energy: 1.5414033395030644
Energy: 1.382936973455412
Energy: 1.4371325330984965
Energy: 1.382936973455412
Energy: 1.5060985871133898
Energy: 1.3405507862998187
Energy: 1.49685741456746
Energy: 1.3405507863013997
Energy: 1.5060985871133898
Energy: 1.3405507863013997

minimum gb energy = 1.1188376406350884 eV
minimum distance =  2.20347643574071 Angstroms
sigma value = 19


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

Energy: 1.48813270314204
Energy: 1.4551857469090317
Energy: 1.2987115967733955
Energy: 1.4551857469090317
Energy: 1.488132703141102
Energy: 1.4551857469090317
Energy: 1.2771480577448544
Energy: 1.4405273375150474
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.2771480577448544
Energy: 1.4405273375150474
Energy: 1.2296826599850326
Energy: 1.4540153911270621
Energy: 1.3937163715799035
Energy: 1.4540153911270621
Energy: 1.2296826599850326
Energy: 1.4540153911270621
Energy: 1.2543306592899783
Energy: 1.4327994996764595
Energy: 1.440575792183864
Energy: 1.4327994996764595
Energy: 1.2543306592899783
Energy: 1.4327994996764595
Energy: 1.2544490168123914
Energy: 1.4514567746507037
Energy: 1.4413211411008124
Energy: 1.4514567746507037
Energy: 1.2544490168123914
Energy: 1.4514567746507037
Energy: 1.4410629956689684
Energy: 1.4513099196927404
Energy: 1.254496521708573
Energy: 1.4513099196927404
Energy: 1.4410629956689684
Energy: 1.4513099196927404
Energy: 1.440653575237759
Energy: 1.432813726874939
Energy: 1.2912261236152047
Energy: 1.432813726874939
Energy: 1.440653575236821
Energy: 1.432813726874939
Energy: 1.3937149745781348
Energy: 1.4539857228826136
Energy: 1.2296688380398735
Energy: 1.4539857228826136
Energy: 1.3937149745781348
Energy: 1.4539857228826136
Energy: 1.380663453292789
Energy: 1.4405608543862767
Energy: 1.2664147859389723
Energy: 1.4405608543862767
Energy: 1.380663453292789
Energy: 1.4405608543862767
Energy: 1.314444345884177
Energy: 1.455185746908094
Energy: 1.48813270314204
Energy: 1.4551857469090317
Energy: 1.314444345883239
Energy: 1.4551857469090317
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.2702793273526947
Energy: 1.4405273375150474
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.3937163715789653
Energy: 1.4540153911279998
Energy: 1.2296826599850326
Energy: 1.4540153911279998
Energy: 1.3937163715789653
Energy: 1.4540153911279998
Energy: 1.440575792183864
Energy: 1.4327994996764595
Energy: 1.2543306592899783
Energy: 1.4327994996764595
Energy: 1.440575792183864
Energy: 1.4327994996764595
Energy: 1.4413211410998747
Energy: 1.4514567746516416
Energy: 1.2544490168123914
Energy: 1.4514567746507037
Energy: 1.4413211410998747
Energy: 1.4514567746516416
Energy: 1.254496521709511
Energy: 1.4513099196927404
Energy: 1.4462403491132982
Energy: 1.4513099196927404
Energy: 1.254496521708573
Energy: 1.4513099196927404
Energy: 1.3237754323652107
Energy: 1.432813726874939
Energy: 1.440653575237759
Energy: 1.432813726874939
Energy: 1.3237754323652107
Energy: 1.432813726875877
Energy: 1.2296688380389356
Energy: 1.453985722883551
Energy: 1.3937149745781348
Energy: 1.453985722883551
Energy: 1.2296688380389356
Energy: 1.4539857228826136
Energy: 1.2664147859380346
Energy: 1.4405608543862767
Energy: 1.3806634532918514
Energy: 1.4405608543862767
Energy: 1.2664147859380346
Energy: 1.4405608543862767
Energy: 1.488132703141102
Energy: 1.4551857469090317
Energy: 1.3144443458823014
Energy: 1.4551857469090317
Energy: 1.48813270314204
Energy: 1.4551857469090317
Energy: 1.2702793273526947
Energy: 1.4405273375150474
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.2702793273526947
Energy: 1.4405273375150474
Energy: 1.2296826599850326
Energy: 1.4540153911279998
Energy: 1.3937163715799035
Energy: 1.4540153911270621
Energy: 1.2296826599850326
Energy: 1.4540153911270621
Energy: 1.2543306592899783
Energy: 1.4327994996764595
Energy: 1.440575792183864
Energy: 1.4327994996764595
Energy: 1.2543306592899783
Energy: 1.4327994996764595
Energy: 1.2544490168123914
Energy: 1.4514567746516416
Energy: 1.4413211410998747
Energy: 1.4514567746516416
Energy: 1.2544490168123914
Energy: 1.4514567746516416
Energy: 1.440751511966064
Energy: 1.4513099196927404
Energy: 1.254496521708573
Energy: 1.4513099196927404
Energy: 1.440751511966064
Energy: 1.4513099196927404
Energy: 1.440653575237759
Energy: 1.432813726874939
Energy: 1.3237754323661486
Energy: 1.432813726875877
Energy: 1.440653575237759
Energy: 1.432813726875877
Energy: 1.3937149745781348
Energy: 1.4539857228826136
Energy: 1.2296688380389356
Energy: 1.4539857228826136
Energy: 1.3937149745781348
Energy: 1.4539857228826136
Energy: 1.380663453292789
Energy: 1.4405608543862767
Energy: 1.2664147859389723
Energy: 1.4405608543862767
Energy: 1.380663453292789
Energy: 1.4405608543862767
Energy: 1.314444345883239
Energy: 1.4551857469090317
Energy: 1.48813270314204
Energy: 1.455185746908094
Energy: 1.314444345883239
Energy: 1.455185746908094
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.2702793273526947
Energy: 1.4405273375159853
Energy: 1.3806925486517663
Energy: 1.4405273375150474
Energy: 1.3937163715789653
Energy: 1.4540153911279998
Energy: 1.2296826599850326
Energy: 1.4540153911279998
Energy: 1.3937163715789653
Energy: 1.4540153911279998

minimum gb energy = 1.2296688380389356 eV
minimum distance =  2.19206213804272 Angstroms
sigma value = 27


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

Energy: 1.2731371946132812
Energy: 1.3882965051887903
Energy: 1.5269235157540204
Energy: 1.3882965051890253
Energy: 1.2731371946135164
Energy: 1.3882965051892342
Energy: 1.2549435778351616
Energy: 1.3797192946420396
Energy: 1.2738321434429876
Energy: 1.3797192946420396
Energy: 1.2549435778353966
Energy: 1.3797192946420396
Energy: 1.274366640808525
Energy: 1.4870703279057864
Energy: 1.2981769804438938
Energy: 1.4870703279062303
Energy: 1.27436664080876
Energy: 1.4870703279059954
Energy: 1.269795370345815
Energy: 1.3837487171982608
Energy: 1.273722087249414
Energy: 1.3837487171980258
Energy: 1.2697953703460239
Energy: 1.3837487171977907
Energy: 1.3002191103944247
Energy: 1.3829093530927594
Energy: 1.3440408048328465
Energy: 1.3829093530927594
Energy: 1.3002191103944247
Energy: 1.3829093530929946
Energy: 1.2735440279699188
Energy: 1.4231204691569275
Energy: 1.2981805313272363
Energy: 1.423120469155309
Energy: 1.2735440279701535
Energy: 1.423120469155309
Energy: 1.29811388483224
Energy: 1.379581990928151
Energy: 1.2736045278185655
Energy: 1.379581990928386
Energy: 1.298113884832449
Energy: 1.3795819909288298
Energy: 1.2691561825963258
Energy: 1.3826150000916664
Energy: 1.3001403588453968
Energy: 1.3826150000916664
Energy: 1.269156182595856
Energy: 1.3826150000919017
Energy: 1.2736760060496288
Energy: 1.384369120107441
Energy: 1.2545653985622054
Energy: 1.3843691201072323
Energy: 1.273676006049394
Energy: 1.3843691201072323
Energy: 1.2736425038042758
Energy: 1.480556359847965
Energy: 1.273648900488253
Energy: 1.480556359847965
Energy: 1.2736425038042758
Energy: 1.4805563598481737
Energy: 1.2979936412510882
Energy: 1.3843270935601928
Energy: 1.273665993697409
Energy: 1.3843270935604277
Energy: 1.2979936412510882
Energy: 1.3843270935604277
Energy: 1.3001521302807864
Energy: 1.3826234657575078
Energy: 1.2693878368083236
Energy: 1.3826234657575078
Energy: 1.3001521302805512
Energy: 1.382623465757743

minimum gb energy = 1.2545653985622054 eV
minimum distance =  2.22567686776783 Angstroms
sigma value = 9


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

Energy: 1.4683280527761897
Energy: 1.500982608906246
Energy: 1.4143829208490422
Energy: 1.5009826089056006
Energy: 1.4683280527755442
Energy: 1.5009826089056006
Energy: 1.4106793653065723
Energy: 1.4687854593882004
Energy: 1.2689068888781418
Energy: 1.4791920973842831
Energy: 1.4106793653072178
Energy: 1.456089793327639
Energy: 1.2607144554782974
Energy: 1.485337192363674
Energy: 1.2650185564434544
Energy: 1.485337192363674
Energy: 1.2607144554782974
Energy: 1.485337192363674
Energy: 1.2590168322674224
Energy: 1.4836500772457664
Energy: 1.2349029992320983
Energy: 1.4836500772457664
Energy: 1.2590168322674224
Energy: 1.4836500772457664
Energy: 1.2570373114382765
Energy: 1.475207631909609
Energy: 1.2451321758804912
Energy: 1.4752076319102545
Energy: 1.2570373114382765
Energy: 1.475207631909609
Energy: 1.2411514398086885
Energy: 1.450046115121248
Energy: 1.2619103990201777
Energy: 1.4314885773799644
Energy: 1.2411514398086885
Energy: 1.4500461151218933
Energy: 1.3170666484605085
Energy: 1.4732950009045411
Energy: 1.2561528915446734
Energy: 1.4732950009051866
Energy: 1.3170666484605085
Energy: 1.4732950009051866
Energy: 1.256615550707737
Energy: 1.481916010580785
Energy: 1.3033280235054159
Energy: 1.481916010580785
Energy: 1.2566155507083825
Energy: 1.481916010580785
Energy: 1.3168705177651567
Energy: 1.4441191447619603
Energy: 1.2714565680248286
Energy: 1.4441191447619603
Energy: 1.3168705177651567
Energy: 1.4441191447619603
Energy: 1.2618720591228583
Energy: 1.4858535513483893
Energy: 1.2561854310655658
Energy: 1.4858535513483893
Energy: 1.2618720591228583
Energy: 1.4858535513483893
Energy: 1.318792939683471
Energy: 1.4797410125602206
Energy: 1.2653999562686904
Energy: 1.4797410125602206
Energy: 1.318792939683471
Energy: 1.4797410125602206
Energy: 1.2693034389711213
Energy: 1.4775646352037184
Energy: 1.2574166013226726
Energy: 1.477564635203073
Energy: 1.2693034389711213
Energy: 1.4775646352037184
Energy: 1.2391972764774204
Energy: 1.4225206531301495
Energy: 1.2439564248250659
Energy: 1.4225206531295038
Energy: 1.2391972764774204
Energy: 1.4225206531295038
Energy: 1.3463975661480652
Energy: 1.493754789667639
Energy: 1.2438390987577999
Energy: 1.4937547896682846
Energy: 1.3463975661480652
Energy: 1.4937547896682846
Energy: 1.2671551630541027
Energy: 1.478812482422074
Energy: 1.301038741531836
Energy: 1.478812482422074
Energy: 1.2671551630541027
Energy: 1.4788124824214288
Energy: 1.3185318384852522
Energy: 1.4700439545973207
Energy: 1.2570448774810163
Energy: 1.4700439545966753
Energy: 1.3185318384852522
Energy: 1.4700439545973207
Energy: 1.2619028405041615
Energy: 1.4847587857955613
Energy: 1.303026060994993
Energy: 1.4847587857955613
Energy: 1.2619028405048072
Energy: 1.4847587857955613
Energy: 1.2791517167147117
Energy: 1.4272398362856495
Energy: 1.2643159193637457
Energy: 1.4272398362856495
Energy: 1.2791517167140665
Energy: 1.4272398362875862
Energy: 1.2565327509027555
Energy: 1.4845392528545764
Energy: 1.2395168278859887
Energy: 1.4845392528545764
Energy: 1.2565327509040465
Energy: 1.4845392528545764
Energy: 1.239238971831473
Energy: 1.5256198251326798
Energy: 1.239283332798589
Energy: 1.5256198251326798
Energy: 1.2392389718308274
Energy: 1.5256198251320343
Energy: 1.2391170703032879
Energy: 1.48435027599871
Energy: 1.256556468365591
Energy: 1.4843502759993552
Energy: 1.2391170703039334
Energy: 1.4843502759993552
Energy: 1.2642359105149819
Energy: 1.4270162468214083
Energy: 1.2791587628040775
Energy: 1.4270162468214083
Energy: 1.2642359105149819
Energy: 1.4270162468214083
Energy: 1.303219727087954
Energy: 1.4847480292910813
Energy: 1.261983085054706
Energy: 1.4847480292910813
Energy: 1.3032197270885995
Energy: 1.4847480292910813
Energy: 1.2570346819558749
Energy: 1.470077368541315
Energy: 1.3185389818017539
Energy: 1.470077368541315
Energy: 1.2570346819552294
Energy: 1.470077368541315
Energy: 1.3016035899530212
Energy: 1.4788347166000475
Energy: 1.2671633820687296
Energy: 1.478834716600693
Energy: 1.3016035899530212
Energy: 1.478834716600693
Energy: 1.2442056152047254
Energy: 1.4941971764187445
Energy: 1.3464342960745472
Energy: 1.4941971764193898
Energy: 1.2442056152034344
Energy: 1.4941971764193898
Energy: 1.2439630996143258
Energy: 1.4225564506468602
Energy: 1.2390948209298338
Energy: 1.4225564506462147
Energy: 1.2439630996143258
Energy: 1.4225564506462147
Energy: 1.2575433986214455
Energy: 1.4775366592269483
Energy: 1.2693129752561791
Energy: 1.4775366592275938
Energy: 1.257543398622091
Energy: 1.4775366592275938
Energy: 1.2654025838286365
Energy: 1.47963914681766
Energy: 1.3456811806890838
Energy: 1.4796391468183054
Energy: 1.2654025838292822
Energy: 1.4796391468183054
Energy: 1.2561809969058508
Energy: 1.4859159576049281
Energy: 1.261972740153219
Energy: 1.4859159576049281
Energy: 1.2561809969058508
Energy: 1.4859159576049281
Energy: 1.2645951202530363
Energy: 1.4441191447626056
Energy: 1.317040737999109
Energy: 1.4441191447626056
Energy: 1.2645951202530363
Energy: 1.4441191447626056
Energy: 1.303444363964014
Energy: 1.4817291791835134
Energy: 1.256509172673935
Energy: 1.481729179184159
Energy: 1.303444363964014
Energy: 1.481729179184159
Energy: 1.256210761039941
Energy: 1.4733563427434022
Energy: 1.3172454066786936
Energy: 1.4733563427440475
Energy: 1.2562107610392954
Energy: 1.4733563427440475
Energy: 1.2620839054940935
Energy: 1.45485438100864
Energy: 1.2411480592455464
Energy: 1.45485438100864
Energy: 1.2620839054947388
Energy: 1.4548543810079946
Energy: 1.2349388828451893
Energy: 1.475377474517372
Energy: 1.2570371240371851
Energy: 1.4753774745167265
Energy: 1.2349388828451893
Energy: 1.4753774745167265
Energy: 1.2348989765044138
Energy: 1.4836772371994127
Energy: 1.2590187804909856
Energy: 1.4836772372000584
Energy: 1.2348989765044138
Energy: 1.4836772371994127
Energy: 1.2650067401866643
Energy: 1.4852099169076007
Energy: 1.2607152396892143
Energy: 1.4852099169088917
Energy: 1.2650067401873097
Energy: 1.4852099169088917
Energy: 1.2693902072996535
Energy: 1.4566761769509637
Energy: 1.410398830063593
Energy: 1.4566761769509637
Energy: 1.2693902072990078
Energy: 1.4694394766158285
Energy: 1.3508570811915335
Energy: 1.5009826089056006
Energy: 1.4683280527761897
Energy: 1.5009826089049552
Energy: 1.350857081190888
Energy: 1.5009826089049552
Energy: 1.2689068888781418
Energy: 1.4791920973842831
Energy: 1.4106793653072178
Energy: 1.4791920973849286
Energy: 1.2689068888781418
Energy: 1.4791920973849286
Energy: 1.2650185564434544
Energy: 1.485337192363674
Energy: 1.2607144554782974
Energy: 1.4853371923643195
Energy: 1.2650185564434544
Energy: 1.4853371923643195
Energy: 1.2349029992320983
Energy: 1.483650077245121
Energy: 1.2590168322674224
Energy: 1.483650077246412
Energy: 1.2349029992320983
Energy: 1.483650077246412
Energy: 1.250924695790224
Energy: 1.475207631909609
Energy: 1.257037311438922
Energy: 1.4752076319102545
Energy: 1.2509246957895783
Energy: 1.4752076319109002

minimum gb energy = 1.2348989765044138 eV
minimum distance =  2.18702150833142 Angstroms
sigma value = 57


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

Energy: 1.237605886594175
Energy: 1.135922710446251
Energy: 1.1995879995087406
Energy: 1.135922710446251
Energy: 1.237605886594175
Energy: 1.135922710446251
Energy: 1.0303034362589492
Energy: 1.4382545518888816
Energy: 1.0494533616850847
Energy: 1.4382545518874121
Energy: 1.0303034362574799
Energy: 1.4382545518874121
Energy: 1.0323919151593504
Energy: 1.0515490728241723
Energy: 1.0719377373313685
Energy: 1.0515490728241723
Energy: 1.0323919151593504
Energy: 1.0515490728241723
Energy: 1.04917206273535
Energy: 1.048953322978312
Energy: 1.0996587751988562
Energy: 1.048953322978312
Energy: 1.04917206273535
Energy: 1.048953322978312
Energy: 1.0495004546150195
Energy: 1.1349620263267357
Energy: 1.0999142503743082
Energy: 1.1349620263267357
Energy: 1.0495004546150195
Energy: 1.1349620263267357
Energy: 1.0489791271663083
Energy: 1.0523056203699301
Energy: 1.0308954362562355
Energy: 1.0523056203713994
Energy: 1.0489791271663083
Energy: 1.0523056203713994
Energy: 1.048967091486389
Energy: 1.0523613322495302
Energy: 1.0308370389177977
Energy: 1.0523613322495302
Energy: 1.048967091486389
Energy: 1.0523613322495302
Energy: 1.0494880554811483
Energy: 1.135312342215156
Energy: 1.099723471729148
Energy: 1.1353123422166254
Energy: 1.0494880554811483
Energy: 1.1353123422166254
Energy: 1.0491401057681502
Energy: 1.0504594794048994
Energy: 1.0997371975295085
Energy: 1.0504594794048994
Energy: 1.0491401057681502
Energy: 1.0504594794048994
Energy: 1.0322280066532057
Energy: 1.0498644013257925
Energy: 1.0721823238754224
Energy: 1.0498644013272618
Energy: 1.0322280066532057
Energy: 1.0498644013257925
Energy: 1.0302293473741675
Energy: 1.4382545518888816
Energy: 1.1010811507506875
Energy: 1.4382545518888816
Energy: 1.0302293473741675
Energy: 1.4382545518888816
Energy: 1.237605886594175
Energy: 1.135922710446251
Energy: 1.1121401803441082
Energy: 1.135922710446251
Energy: 1.237605886594175
Energy: 1.135922710446251
Energy: 1.0303034362574799
Energy: 1.4382545518874121
Energy: 1.0494533616850847
Energy: 1.4382545518888816
Energy: 1.0303034362574799
Energy: 1.4382545518888816
Energy: 1.0323919151593504
Energy: 1.0515490728256418
Energy: 1.0719377374621057
Energy: 1.0515490728256418
Energy: 1.0323919151593504
Energy: 1.0515490728256418
Energy: 1.04917206273535
Energy: 1.048953322978312
Energy: 1.0524046067850987
Energy: 1.048953322978312
Energy: 1.04917206273535
Energy: 1.048953322978312
Energy: 1.0495004546150195
Energy: 1.1349620263267357
Energy: 1.0491880514762182
Energy: 1.1349620263267357
Energy: 1.0495004546150195
Energy: 1.1349620263267357
Energy: 1.0489791271663083
Energy: 1.0523056203699301
Energy: 1.0308954362562355
Energy: 1.0523056203713994
Energy: 1.0489791271663083
Energy: 1.0523056203713994
Energy: 1.048967091486389
Energy: 1.0523613322495302
Energy: 1.0308370389177977
Energy: 1.052361332248061
Energy: 1.048967091486389
Energy: 1.0523613322495302
Energy: 1.049488055479679
Energy: 1.135312342215156
Energy: 1.0525553056110926
Energy: 1.1353123422166254
Energy: 1.0494880554811483
Energy: 1.1353123422166254

minimum gb energy = 1.0302293473741675 eV
minimum distance =  2.23414807869086 Angstroms
sigma value = 11


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

Energy: 1.0968782086609754
Energy: 1.3915223540350177
Energy: 1.1242662569051227
Energy: 1.3915223540350177
Energy: 1.0968782086620517
Energy: 1.3915223540350177
Energy: 1.375467789983624
Energy: 1.019439103776915
Energy: 0.9558234339101821
Energy: 1.0194391037747625
Energy: 1.375467789983624
Energy: 1.019439103776915
Energy: 1.086245247088559
Energy: 1.0121008888857692
Energy: 1.0776424457191927
Energy: 1.0121008888867964
Energy: 1.086245247088559
Energy: 1.0121008888867964
Energy: 0.9641429869035895
Energy: 0.9717227149246364
Energy: 0.9557293556818189
Energy: 0.9717227149246364
Energy: 0.9641429869025131
Energy: 0.9717227149246364
Energy: 0.9595915922722942
Energy: 1.3928175769683697
Energy: 0.97532935314644
Energy: 1.3928175769683697
Energy: 0.9595915922733704
Energy: 1.3928175769683697
Energy: 0.9699125289095911
Energy: 1.3818826856452233
Energy: 0.9560399745412359
Energy: 1.3818826856452233
Energy: 0.9699125289095911
Energy: 1.3818826856452233
Energy: 0.9737341461082942
Energy: 0.9612444844050572
Energy: 0.9623972738245052
Energy: 0.9612444844050572
Energy: 0.9737341461082942
Energy: 0.9612444844050572
Energy: 0.9782334446493177
Energy: 1.3895575798644029
Energy: 0.9772099947090727
Energy: 1.3895575798633266
Energy: 0.9782334446503941
Energy: 1.3895575798633266
Energy: 0.9785578959894611
Energy: 1.3912538809878383
Energy: 1.3735169260401785
Energy: 1.3912538809867623
Energy: 0.9785578959883848
Energy: 1.3912538809867623
Energy: 0.9698221728076483
Energy: 0.9610004031502448
Energy: 0.9556815049743097
Energy: 0.9610004031513212
Energy: 0.9698221728076483
Energy: 0.9610004031513212
Energy: 0.9735266302985526
Energy: 1.3770109873813612
Energy: 0.9619967192903214
Energy: 1.3770109873813612
Energy: 0.9735266302985526
Energy: 1.3770109873813612
Energy: 0.9568953234550713
Energy: 1.3890638188683477
Energy: 0.955725946765813
Energy: 1.3890638188683477
Energy: 0.9568953234550713
Energy: 1.3890638188683477
Energy: 0.9769700224629543
Energy: 0.9705017732034066
Energy: 0.9894646936211923
Energy: 0.9705017732055593
Energy: 0.9769700224618779
Energy: 0.970501773204483
Energy: 0.9559506278407072
Energy: 0.9616903205911205
Energy: 0.9688490852288871
Energy: 0.9616903205911205
Energy: 0.9559506278407072
Energy: 0.9616903205911205
Energy: 1.3774843501737541
Energy: 1.0191138342663806
Energy: 0.9618079119105182
Energy: 1.0191138342663806
Energy: 1.3774843501726777
Energy: 1.019113834267457
Energy: 0.9774742753698874
Energy: 1.389979943220438
Energy: 0.972734379813276
Energy: 1.389979943219362
Energy: 0.977474275368811
Energy: 1.389979943219362
Energy: 1.1720194869956988
Energy: 1.019637337119806
Energy: 0.9754705277412768
Energy: 1.019637337119806
Energy: 1.1720194869946223
Energy: 1.019637337119806
Energy: 0.9558613228331722
Energy: 1.0108379716023377
Energy: 0.9838147283709863
Energy: 1.0108379716012612
Energy: 0.9558613228331722
Energy: 1.0108379716012612
Energy: 0.9605422332621623
Energy: 0.9726961274737694
Energy: 0.961697592172218
Energy: 0.9726961274726932
Energy: 0.9605422332621623
Energy: 0.9726961274726932
Energy: 0.9568101373101816
Energy: 1.392156245279112
Energy: 0.9710155492931366
Energy: 1.392156245279112
Energy: 0.9568101373101816
Energy: 1.392156245279112
Energy: 1.0210702002249286
Energy: 1.3787031197695598
Energy: 0.9556676988785003
Energy: 1.3787031197695598
Energy: 1.0210702002249286
Energy: 1.3787031197695598
Energy: 0.969907562586861
Energy: 1.011004218001041
Energy: 0.959030173800054
Energy: 1.011004218001041
Energy: 0.969907562586861
Energy: 1.0110042179999648
Energy: 0.9729340197521201
Energy: 1.3864445982190379
Energy: 0.9767927229354718
Energy: 1.3864445982190379
Energy: 0.9729340197531966
Energy: 1.3864445982190379
Energy: 0.9567043442970048
Energy: 1.3928905816456818
Energy: 1.373598593399235
Energy: 1.3928905816446056
Energy: 0.9567043442970048
Energy: 1.3928905816456818
Energy: 0.9691267331776254
Energy: 0.9608198062372884
Energy: 0.955797573486967
Energy: 0.960819806236212
Energy: 0.9691267331776254
Energy: 0.960819806236212
Energy: 0.9696974400112501
Energy: 1.377081831356125
Energy: 0.9584141093776851
Energy: 1.377081831356125
Energy: 0.9696974400101739
Energy: 1.377081831356125

minimum gb energy = 0.9556676988785003 eV
minimum distance =  2.25495199613828 Angstroms
sigma value = 41


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

Energy: 1.4412727347829948
Energy: 1.279813243533011
Energy: 0.9215677146965692
Energy: 1.2798132435321627
Energy: 1.4412727347829948
Energy: 1.2798132435321627
Energy: 1.626817347235107
Energy: 0.9550499426671503
Energy: 0.8830890176507504
Energy: 0.9550499426671503
Energy: 1.626817347235107
Energy: 0.9550499426671503
Energy: 0.9534668365540893
Energy: 1.245010112439393
Energy: 0.9195119984920578
Energy: 1.245010112439393
Energy: 0.9534668365540893
Energy: 1.245010112439393
Energy: 1.4289770487859264
Energy: 0.9032882413651777
Energy: 0.8828423541599061
Energy: 0.9032882413651777
Energy: 1.4289770487859264
Energy: 0.9032882413660259
Energy: 0.9805477459908436
Energy: 0.8831855128030381
Energy: 0.9075778944711377
Energy: 0.8831855128030381
Energy: 0.9805477459908436
Energy: 0.8831855128021897
Energy: 1.2319108513810533
Energy: 1.2339944560908591
Energy: 0.8829293866565306
Energy: 1.2339944560908591
Energy: 1.2319108513810533
Energy: 1.2339944560908591
Energy: 0.8877065297331145
Energy: 1.2381974287306363
Energy: 0.8852020078119179
Energy: 1.2381974287306363
Energy: 0.8877065297331145
Energy: 1.238197428729788
Energy: 1.2836305876448626
Energy: 1.2381970577059123
Energy: 0.8989429030973018
Energy: 1.2381970577059123
Energy: 1.2836305876448626
Energy: 1.2381970577059123
Energy: 0.9058231330400437
Energy: 0.8830077171075771
Energy: 1.2087257631477404
Energy: 0.8830077171075771
Energy: 0.9058231330400437
Energy: 0.8830077171075771
Energy: 1.2381220270178712
Energy: 1.238076010118301
Energy: 1.2186547902758993
Energy: 1.238076010118301
Energy: 1.2381220270178712
Energy: 1.238076010118301
Energy: 1.236900267829593
Energy: 1.238390482007575
Energy: 1.218745495345733
Energy: 1.2383904820084233
Energy: 1.236900267829593
Energy: 1.2383904820084233
Energy: 0.9015101259006171
Energy: 1.2536108127003944
Energy: 0.898971555110924
Energy: 1.2536108127003944
Energy: 0.9015101259006171
Energy: 1.2381563749606623
Energy: 0.9057924213333429
Energy: 1.2346938770641915
Energy: 1.208761662579064
Energy: 1.2346938770641915
Energy: 0.9057924213324946
Energy: 1.2346938770641915
Energy: 0.883750505288958
Energy: 1.2379385348389809
Energy: 0.8829585305402046
Energy: 1.237938534839829
Energy: 0.883750505288958
Energy: 1.237938534839829
Energy: 1.2311030162647827
Energy: 1.2354290661039422
Energy: 0.8850767099149871
Energy: 1.2354290661039422
Energy: 1.2311030162647827
Energy: 1.2354290661039422
Energy: 0.8830390069853444
Energy: 1.2380908145264446
Energy: 0.8829295725831422
Energy: 1.238090814527293
Energy: 0.8830390069844962
Energy: 1.238090814527293
Energy: 1.2089726300192014
Energy: 1.2631763218528846
Energy: 0.9078980391911318
Energy: 1.2631763218528846
Energy: 1.2089726300192014
Energy: 1.2631763218528846
Energy: 0.8986587598865249
Energy: 1.2379886110689808
Energy: 0.9006070532380083
Energy: 1.2379886110689808
Energy: 0.8986587598865249
Energy: 1.2379886110689808
Energy: 1.6262580893464627
Energy: 0.9551282920696775
Energy: 0.8851916206627366
Energy: 0.9551282920696775
Energy: 1.6262580893464627
Energy: 0.9551282920696775
Energy: 1.2189426168847806
Energy: 1.2380291147797082
Energy: 1.237133136244132
Energy: 1.2380291147797082
Energy: 1.218942616885629
Energy: 1.2380291147797082
Energy: 1.617252184347306
Energy: 0.9537932973273855
Energy: 0.902858808301848
Energy: 0.9537932973273855
Energy: 1.6172521843481542
Energy: 0.9537932973273855
Energy: 0.8985975627948257
Energy: 1.2377217959474371
Energy: 0.9009543919926956
Energy: 1.2377217959482854
Energy: 0.8985975627948257
Energy: 1.2377217959482854
Energy: 1.4507694281538053
Energy: 0.9005591769787379
Energy: 0.8848174870946932
Energy: 0.9005591769787379
Energy: 1.4507694281546535
Energy: 0.9005591769787379
Energy: 0.8830653254264692
Energy: 1.2339884305806945
Energy: 1.0700986149157241
Energy: 1.2339884305806945
Energy: 0.8830653254256209
Energy: 1.2339884305806945
Energy: 1.069234049924944
Energy: 1.2335022827769013
Energy: 0.8829045446514766
Energy: 1.2335022827769013
Energy: 1.069234049924944
Energy: 1.2335022827769013
Energy: 0.8835337457949507
Energy: 0.9007608403656676
Energy: 1.0499858631021695
Energy: 0.9007608403656676
Energy: 0.8835337457949507
Energy: 0.9007608403656676
Energy: 1.2845857062732045
Energy: 1.2371838458391724
Energy: 0.8986987571620679
Energy: 1.2371838458391724
Energy: 1.2845857062732045
Energy: 1.2371838458391724
Energy: 0.901749572249487
Energy: 1.250178299562832
Energy: 1.416045027461277
Energy: 1.250178299562832
Energy: 0.901749572249487
Energy: 1.250178299562832
Energy: 1.2368625972030707
Energy: 1.2373488726125212
Energy: 1.2185217798988606
Energy: 1.2373488726133695
Energy: 1.2368625972030707
Energy: 1.2373488726133695
Energy: 0.88351232762778
Energy: 1.0914518504028243
Energy: 1.4148722356351382
Energy: 1.0914518504028243
Energy: 0.88351232762778
Energy: 1.0914518504028243
Energy: 0.9022302524856348
Energy: 1.2372314204320332
Energy: 0.8986213762909463
Energy: 1.2372314204320332
Energy: 0.9022302524856348
Energy: 1.2372314204320332
Energy: 0.9015062727309374
Energy: 1.2631087562521668
Energy: 1.2087541518091562
Energy: 1.2631087562521668
Energy: 0.9015062727309374
Energy: 1.2631087562521668
Energy: 0.8852155287069574
Energy: 1.2372874600273696
Energy: 0.8828611570860518
Energy: 1.2372874600265213
Energy: 0.8852155287069574
Energy: 1.2372874600265213

minimum gb energy = 0.8828423541599061 eV
minimum distance =  2.25550631506356 Angstroms
sigma value = 33


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

Energy: 1.1940273120428604
Energy: 1.090746417413557
Energy: 0.851346474448881
Energy: 1.090746417413557
Energy: 1.1940273120428604
Energy: 1.090746417413557
Energy: 1.7193531102073474
Energy: 0.8291083395631565
Energy: 0.800921038604839
Energy: 0.829108339563752
Energy: 1.7193531102073474
Energy: 0.829108339563752
Energy: 1.179263933680606
Energy: 1.0894710355311266
Energy: 0.9331993765658925
Energy: 1.0894710355305315
Energy: 1.179263933680606
Energy: 1.0894710355305315
Energy: 1.5793456496177962
Energy: 0.807046603541702
Energy: 0.8006528861218354
Energy: 0.8070466035422973
Energy: 1.5793456496177962
Energy: 0.807046603541702
Energy: 0.8459483151003713
Energy: 1.0763304842587116
Energy: 0.806276901824284
Energy: 1.076330484258116
Energy: 0.8459483150991807
Energy: 1.076330484258116
Energy: 1.3020842676109468
Energy: 1.0571316369421955
Energy: 0.801166679825966
Energy: 1.0571316369416002
Energy: 1.3020842676109468
Energy: 1.0571316369421955
Energy: 0.8303932479499188
Energy: 1.0627944504475009
Energy: 0.797271008890287
Energy: 1.0627944504475009
Energy: 0.8303932479499188
Energy: 1.0627944504475009
Energy: 1.167544859742294
Energy: 1.0566018447000975
Energy: 0.8054913719007906
Energy: 1.0566018447000975
Energy: 1.167544859742294
Energy: 1.0566018446995022
Energy: 0.805738363399817
Energy: 1.0761646882786267
Energy: 0.9742278085705374
Energy: 1.076164688279222
Energy: 0.8057383634004122
Energy: 1.076164688279222
Energy: 1.0328913013540655
Energy: 1.0726836576405667
Energy: 1.0241279351172676
Energy: 1.0726836576405667
Energy: 1.0328913013540655
Energy: 1.0726836576405667
Energy: 0.8022594898687723
Energy: 1.0625683385212503
Energy: 1.0237397268521453
Energy: 1.062568338520655
Energy: 0.8022594898687723
Energy: 1.0625683385200595
Energy: 1.3585489117579599
Energy: 1.0850156209445494
Energy: 1.0378796882505674
Energy: 1.0850156209433588
Energy: 1.3585489117573644
Energy: 1.0850156209433588
Energy: 1.0275386206925075
Energy: 1.0692052604597087
Energy: 1.2303614548520225
Energy: 1.0692052604585178
Energy: 1.0275386206919122
Energy: 1.0692052604585178
Energy: 1.0415386234682766
Energy: 1.0850806712123748
Energy: 1.299975018825463
Energy: 1.0850806712117795
Energy: 1.0415386234688722
Energy: 1.0850806712117795
Energy: 1.0385441381943545
Energy: 1.0727650429862565
Energy: 1.2997617931287442
Energy: 1.0727650429862565
Energy: 1.0385441381943545
Energy: 1.0727650429868518
Energy: 1.030198612797603
Energy: 1.0847173422637821
Energy: 1.0379918590638755
Energy: 1.0847173422631866
Energy: 1.0301986127981981
Energy: 1.0847173422631866
Energy: 1.0276427396291288
Energy: 1.069380821616262
Energy: 1.2303704260553874
Energy: 1.0693808216156664
Energy: 1.0276427396291288
Energy: 1.0693808216156664
Energy: 0.7970309662837897
Energy: 1.0849721942417576
Energy: 1.024275438149731
Energy: 1.0849721942417576
Energy: 0.7970309662837897
Energy: 1.0849721942417576
Energy: 1.037845317987718
Energy: 1.082840347430996
Energy: 1.023900881574436
Energy: 1.082840347429805
Energy: 1.0378453179871225
Energy: 1.0828403474304005
Energy: 0.8012235128152154
Energy: 1.0813306637267728
Energy: 0.804880828944968
Energy: 1.081330663725582
Energy: 0.8012235128152154
Energy: 1.0813306637249867
Energy: 1.022207472562237
Energy: 1.0702040282369276
Energy: 1.0220964241872965
Energy: 1.0702040282369276
Energy: 1.022207472562237
Energy: 1.0702040282369276
Energy: 0.7997976928957528
Energy: 1.0848549838144543
Energy: 0.8011541833230743
Energy: 1.0848549838144543
Energy: 0.7997976928957528
Energy: 1.0848549838144543
Energy: 1.3067509958859904
Energy: 1.0833099983377168
Energy: 0.7967780548679543
Energy: 1.0833099983383123
Energy: 1.306750995885395
Energy: 1.0833099983377168
Energy: 0.8156107920255442
Energy: 1.0840757174090527
Energy: 0.801659281348352
Energy: 1.0840757174084574
Energy: 0.8156107920249487
Energy: 1.0840757174084574
Energy: 1.2952981697059387
Energy: 1.0785182847493466
Energy: 0.9810946008855534
Energy: 1.0785182847493466
Energy: 1.295298169706534
Energy: 1.078518284748751
Energy: 1.0383940556458608
Energy: 1.084599113249875
Energy: 0.8099069366654349
Energy: 1.0845991132504704
Energy: 1.0383940556464561
Energy: 1.0845991132504704
Energy: 1.724032835206699
Energy: 0.9423244306104847
Energy: 0.796781408587447
Energy: 0.9423244306104847
Energy: 1.724032835206699
Energy: 0.94232443061108
Energy: 1.0642030935739697
Energy: 1.0839293745147984
Energy: 1.0392064004863593
Energy: 1.0839293745147984
Energy: 1.0642030935733744
Energy: 1.083929374515394
Energy: 1.4367080874894895
Energy: 1.0691709747081808
Energy: 1.0302740189307653
Energy: 1.0691709747075857
Energy: 1.4367080874894895
Energy: 1.0691709747075857
Energy: 1.0387061106958677
Energy: 1.0837273557265172
Energy: 1.0600775121456014
Energy: 1.0837273557271128
Energy: 1.0387061106958677
Energy: 1.0837273557271128
Energy: 1.4484711004512667
Energy: 0.8092437382787464
Energy: 0.796738832069736
Energy: 0.809243738278151
Energy: 1.448471100451862
Energy: 0.809243738278151
Energy: 0.8155786530360797
Energy: 1.0718017982024812
Energy: 0.9243831562091342
Energy: 1.0718017982030765
Energy: 0.8155786530360797
Energy: 1.0718017982030765
Energy: 1.1661984173330184
Energy: 1.0568960301652086
Energy: 0.8008779124863954
Energy: 1.056896030164613
Energy: 1.1661984173330184
Energy: 1.056896030164613
Energy: 0.7999054879484232
Energy: 1.0562528804994584
Energy: 1.179792710918265
Energy: 1.056252880500054
Energy: 0.7999054879484232
Energy: 1.0562528805006492
Energy: 1.1778534734912998
Energy: 1.05618797593987
Energy: 0.7998812178275398
Energy: 1.056187975939275
Energy: 1.1778534734918953
Energy: 1.056187975939275
Energy: 0.8009805571970219
Energy: 1.0568792966990475
Energy: 1.1662086686676116
Energy: 1.0568792966990475
Energy: 0.8009805571970219
Energy: 1.056879296699643
Energy: 0.9243554979145419
Energy: 1.071781802794069
Energy: 0.8153858974194269
Energy: 1.0717818027946644
Energy: 0.9243554979139463
Energy: 1.0717818027946644
Energy: 0.7967500804456068
Energy: 0.8094930117746864
Energy: 1.4483533934017065
Energy: 0.8094930117752817
Energy: 0.7967500804456068
Energy: 0.8094930117758771
Energy: 1.0600775121432198
Energy: 1.0839756605178155
Energy: 1.0386334155833392
Energy: 1.0839756605184108
Energy: 1.0600775121426247
Energy: 1.0839756605178155
Energy: 0.9180366888500441
Energy: 1.0692076130117634
Energy: 1.4367170269642437
Energy: 1.069207613011168
Energy: 0.9180366888500441
Energy: 1.069207613011168
Energy: 1.0392294219035356
Energy: 1.084279938739577
Energy: 1.0644498318014748
Energy: 1.0842799387401725
Energy: 1.0392294219029405
Energy: 1.0842799387401725
Energy: 0.7968046624895765
Energy: 0.9422705330148442
Energy: 1.7216784466126547
Energy: 0.9422705330148442
Energy: 0.7968046624895765
Energy: 0.9422705330148442
Energy: 0.8097015320927812
Energy: 1.084569359585335
Energy: 1.0378308292590321
Energy: 1.0845693595847397
Energy: 0.8097015320921859
Energy: 1.0845693595847397
Energy: 0.9174889910787589
Energy: 1.0784892015740324
Energy: 1.2952852319275492
Energy: 1.0784892015734369
Energy: 0.9174889910793544
Energy: 1.0784892015734369
Energy: 0.8015256679845847
Energy: 1.084059933937793
Energy: 0.8153805085475372
Energy: 1.084059933937793
Energy: 0.8015256679845847
Energy: 1.0840599339383883
Energy: 0.7967923953152087
Energy: 1.0833099983389074
Energy: 1.3065725384511615
Energy: 1.0833099983377168
Energy: 0.7967923953152087
Energy: 1.0833099983383123
Energy: 0.8011610975585858
Energy: 1.0848432253356748
Energy: 0.7997226956257895
Energy: 1.0848432253350797
Energy: 0.8011610975585858
Energy: 1.0848432253350797

minimum gb energy = 0.796738832069736 eV
minimum distance =  2.27343255955608 Angstroms
sigma value = 67


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

Energy: 0.28055005999248345
Energy: 0.26318378905592416
Energy: 1.6437709256371131
Energy: 0.2631837890562859
Energy: 0.28055005999248345
Energy: 0.2631837890562859
Energy: 0.24854745705857184
Energy: 0.7380269582889546
Energy: 0.626106791353783
Energy: 0.7380269582893616
Energy: 0.24854745705816492
Energy: 0.7380269582893616
Energy: 0.28055005999207655
Energy: 0.2631837890562859
Energy: 1.6473738570793242
Energy: 0.2631837890566928
Energy: 0.28055005999207655
Energy: 0.2631837890566928
Energy: 0.24854745705816492
Energy: 0.7380269582893616
Energy: 0.6261067913529691
Energy: 0.7380269582893616
Energy: 0.24854745705816492
Energy: 0.7380269582889546
Energy: 0.28055005999248345
Energy: 0.26318378905592416
Energy: 1.647373857591209
Energy: 0.2631837890562859
Energy: 0.28055005999248345
Energy: 0.2631837890562859
Energy: 0.24854745705816492
Energy: 0.7380269582897685
Energy: 0.626106791353783
Energy: 0.7380269582893616
Energy: 0.24854745705816492
Energy: 0.7380269582893616
Energy: 0.28055005999207655
Energy: 0.2631837890562859
Energy: 1.6473738579026085
Energy: 0.2631837890566928
Energy: 0.28055005999248345
Energy: 0.2631837890562859

minimum gb energy = 0.24854745705816492 eV
minimum distance =  2.43357140254475 Angstroms
sigma value = 3


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

Energy: 1.414490508949112
Energy: 1.0618744151424733
Energy: 1.009175550232726
Energy: 1.0618744151435562
Energy: 1.414490508949112
Energy: 1.0618744151440977
Energy: 1.723248234096804
Energy: 0.8291756127208268
Energy: 0.8110780383613287
Energy: 0.8291756127208268
Energy: 1.723248234096804
Energy: 0.8291756127208268
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Energy: 1.033843159556937
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Energy: 1.038720853048494
Energy: 1.3926646655583752
Energy: 1.0254357705840347
Energy: 0.936769037010157
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Energy: 1.3926646655583752
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Energy: 1.4069931526478372
Energy: 1.031764297175609
Energy: 0.8146847808735184
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Energy: 1.4069931526472956
Energy: 1.0317642971761503
Energy: 1.64456881558362
Energy: 1.03142756371377
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Energy: 1.3916408138366112
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Energy: 0.9961699533441193
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Energy: 1.3924921855797798
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Energy: 1.3924921855797798
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Energy: 1.146588337226416
Energy: 1.0325287204473879
Energy: 0.8749771867186832
Energy: 1.0325287204495537
Energy: 1.146588337226416
Energy: 1.0325287204495537
Energy: 1.388426779712813
Energy: 1.0344856116957304
Energy: 0.8795249331864099
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Energy: 1.3884267797122716
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Energy: 1.0158392956310136
Energy: 1.1224108099743555
Energy: 1.015839295632638
Energy: 1.1341191841221516
Energy: 1.0158392956320967
Energy: 1.1368452366139077
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Energy: 0.8869614707380283
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Energy: 0.8877071991442055
Energy: 1.020339074858313
Energy: 1.1219903850037773
Energy: 1.0203390748566887
Energy: 0.8877071991447469
Energy: 1.02033907485723
Energy: 1.1354727607436956
Energy: 1.0350036903028537
Energy: 1.1381170032433445
Energy: 1.0350036902963562
Energy: 1.1354727607436956
Energy: 1.0350036902968978
Energy: 0.8801413915175411
Energy: 0.805323066346144
Energy: 1.3673478915423751
Energy: 0.8053230663445196
Energy: 0.8801413915175411
Energy: 0.8053230663445196
Energy: 0.8843663032695378
Energy: 1.0197597712313762
Energy: 1.150008273900586
Energy: 1.0197597712308348
Energy: 0.8843663032695378
Energy: 1.0197597712308348
Energy: 0.8156138848956828
Energy: 0.8691111540822049
Energy: 1.3726081464525355
Energy: 0.8691111540816633
Energy: 0.8156138848956828
Energy: 0.8691111540816633
Energy: 0.8880317381773096
Energy: 1.0397116126035724
Energy: 1.3997029383898463
Energy: 1.0397116126024895
Energy: 0.8880317381767683
Energy: 1.0397116126024895
Energy: 0.81557863331027
Energy: 0.8208077776572198
Energy: 1.5447647189612457
Energy: 0.820807777653971
Energy: 0.8155786333097285
Energy: 0.8208077776534294
Energy: 0.8181537376214215
Energy: 1.0498986467055025
Energy: 1.3463169449225179
Energy: 1.049898646703878
Energy: 0.8181537376214215
Energy: 1.049898646703878
Energy: 0.810133173428622
Energy: 0.8215056907622578
Energy: 1.5041917093471324
Energy: 0.8215056907622578
Energy: 0.8101331734280807
Energy: 0.8215056907617162
Energy: 0.8791243092907797
Energy: 1.0396001167068112
Energy: 1.3996613821944388
Energy: 1.0396001167073525
Energy: 0.8791243092907797
Energy: 1.0396001167073525
Energy: 0.8177512347560818
Energy: 0.8612123745684445
Energy: 1.4984906190674798
Energy: 0.861212374567903
Energy: 0.8177512347560818
Energy: 0.861212374567903
Energy: 0.8676137079277392
Energy: 1.0198221051556238
Energy: 1.1496048433788788
Energy: 1.0198221051550824
Energy: 0.8676137079271977
Energy: 1.0198221051556238
Energy: 0.8831436850364621
Energy: 0.8065183683072414
Energy: 1.1339136215555057
Energy: 0.8065183683072414
Energy: 0.8831436850364621
Energy: 0.8065183683056171
Energy: 1.1240633688850843
Energy: 1.0134867596542954
Energy: 1.1378380125180807
Energy: 1.0134867596542954
Energy: 1.1240633688850843
Energy: 1.0134867596542954

minimum gb energy = 0.8045397147598902 eV
minimum distance =  2.28034690640908 Angstroms
sigma value = 81


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

Energy: 1.398729728255792
Energy: 0.9513490818433493
Energy: 1.2628229385600769
Energy: 0.9513490818455789
Energy: 1.398729728255792
Energy: 0.9513490818470651
Energy: 1.6781668675569734
Energy: 0.935223855361768
Energy: 0.9007878965797758
Energy: 0.9352238553625112
Energy: 1.6781668675569734
Energy: 0.9352238553625112
Energy: 1.3686888900600682
Energy: 0.9137215224157433
Energy: 0.9508123702315194
Energy: 0.9137215224150002
Energy: 1.3686888900600682
Energy: 0.9137215224172297
Energy: 1.3580211568464078
Energy: 0.903693353402881
Energy: 0.9056110043557936
Energy: 0.903693353402881
Energy: 1.3580211568464078
Energy: 0.903693353402138
Energy: 1.0256232747977954
Energy: 1.0339535291965196
Energy: 0.9151126920098479
Energy: 1.0339535291972626
Energy: 1.0256232747977954
Energy: 1.0339535291965196
Energy: 1.1712780762269719
Energy: 0.8986223678311438
Energy: 0.9932759184242494
Energy: 0.8986223678296574
Energy: 1.1712780762269719
Energy: 0.8986223678296574
Energy: 1.0039057960173916
Energy: 1.0255529542060005
Energy: 1.0977670975034601
Energy: 1.0255529542060005
Energy: 1.0039057960173916
Energy: 1.0255529542030277
Energy: 0.9843225073486027
Energy: 0.9092344911519663
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Energy: 0.9092344911512232
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Energy: 0.9147662329963706
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Energy: 1.1650894202051278
Energy: 1.3593242147074946
Energy: 1.165089420205871
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Energy: 1.165089420205871
Energy: 0.9166538888073955
Energy: 0.9665380612529301
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Energy: 0.9665380612521869
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Energy: 1.3004702733024633
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Energy: 0.8963733477504396
Energy: 1.1708338496975625
Energy: 0.9090343451408271
Energy: 0.8996137523013307
Energy: 1.5913366038090293
Energy: 0.8996137523028168
Energy: 0.9090343451408271
Energy: 0.8996137523013307
Energy: 1.0024890917496285
Energy: 1.1650047009321498
Energy: 1.3596072110027253
Energy: 1.1650047009306632
Energy: 1.0024890917496285
Energy: 1.1650047009306632
Energy: 1.0044157381960028
Energy: 0.9202956542525416
Energy: 1.342257529059673
Energy: 0.9202956542532849
Energy: 1.0044157381960028
Energy: 0.9202956542532849
Energy: 0.9982760001446394
Energy: 1.1709843906146764
Energy: 1.018292904612625
Energy: 1.1709843906146764
Energy: 0.9982760001446394
Energy: 1.1709843906146764
Energy: 0.9990296679620422
Energy: 0.8987887061459244
Energy: 1.3453458807502499
Energy: 0.8987887061459244
Energy: 0.9990296679620422
Energy: 0.8987887061444382
Energy: 1.351272806445834
Energy: 1.1551109311214394
Energy: 0.9934853480845941
Energy: 1.1551109311221825
Energy: 1.3512728064465769
Energy: 1.1551109311229257
Energy: 1.3514380016430172
Energy: 1.1740981844292813
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Energy: 1.3514380016430172
Energy: 1.1740981844285379
Energy: 1.3597455886358178
Energy: 1.1705325072729187
Energy: 0.9059737833216688
Energy: 1.1705325072729187
Energy: 1.3597455886358178
Energy: 1.1705325072729187
Energy: 1.3596396981365284
Energy: 1.1686542042342924
Energy: 1.0752748608721834
Energy: 1.1686542042342924
Energy: 1.3596396981365284
Energy: 1.1686542042342924
Energy: 1.7113124550836054
Energy: 0.915233110085231
Energy: 0.9041229959980458
Energy: 0.9152331100844878
Energy: 1.7113124550836054
Energy: 0.9152331100837447
Energy: 1.71114873864841
Energy: 0.91527559909509
Energy: 0.904363548809179
Energy: 0.91527559909509
Energy: 1.71114873864841
Energy: 0.9152755990943469
Energy: 1.3595430521966443
Energy: 1.168155245452279
Energy: 1.0722166016860601
Energy: 1.1681552454530224
Energy: 1.3595430521966443
Energy: 1.1681552454537651
Energy: 1.3597322389065
Energy: 1.170672398663466
Energy: 0.9069496895218
Energy: 1.1706723986656955
Energy: 1.3597322389072435
Energy: 1.1706723986656955
Energy: 1.3513700839532512
Energy: 1.1738758639765814
Energy: 0.9924270442798998
Energy: 1.1738758639773244
Energy: 1.3513700839532512
Energy: 1.1738758639780678
Energy: 1.351319634946629
Energy: 1.1547322142487264
Energy: 0.9934455185036196
Energy: 1.1547322142479832
Energy: 1.351319634946629
Energy: 1.1547322142479832
Energy: 0.9987200710467236
Energy: 0.8985548091722446
Energy: 1.1670318192593039
Energy: 0.8985548091707581
Energy: 0.9987200710467236
Energy: 0.8985548091700151
Energy: 0.998304604302108
Energy: 1.1705248289265542
Energy: 1.0183067306128564
Energy: 1.1705248289265542
Energy: 0.998304604302851
Energy: 1.1705248289265542
Energy: 1.0042381102594726
Energy: 0.9202956542525416
Energy: 1.3409507535327378
Energy: 0.9202956542525416
Energy: 1.0042381102594726
Energy: 0.9202956542525416
Energy: 1.0025229558087996
Energy: 1.1650160138869015
Energy: 1.3596200914140253
Energy: 1.1650160138869015
Energy: 1.0025229558087996
Energy: 1.1650160138869015
Energy: 0.9088148837270975
Energy: 0.8949811251189856
Energy: 1.4436374633027202
Energy: 0.8949811251219584
Energy: 0.9088148837270975
Energy: 0.8949811251219584
Energy: 0.9066592177315113
Energy: 1.1707365169258908
Energy: 1.300556285693298
Energy: 1.1707365169258908
Energy: 0.9066592177315113
Energy: 1.1707365169258908
Energy: 0.9167843114779187
Energy: 0.9714084551799931
Energy: 1.5465973770795842
Energy: 0.9714084551807362
Energy: 0.9167843114779187
Energy: 0.9714084551799931
Energy: 1.0024484439530486
Energy: 1.1650678363505678
Energy: 1.3593472626999883
Energy: 1.1650678363498246
Energy: 1.0024484439530486
Energy: 1.1650678363498246
Energy: 0.9146522296134596
Energy: 0.9665587390918182
Energy: 1.354233586945848
Energy: 0.9665587390925614
Energy: 0.9146522296134596
Energy: 0.9665587390925614
Energy: 0.9842220323231786
Energy: 0.9092785519706514
Energy: 1.01797378359419
Energy: 0.9092785519699083
Energy: 0.9842220323231786
Energy: 0.9092785519691651
Energy: 1.0038470070985088
Energy: 0.9003657138415059
Energy: 1.1754719102652258
Energy: 0.9003657138429921
Energy: 1.0038470070992522
Energy: 0.9003657138429921

minimum gb energy = 0.8949811251189856 eV
minimum distance =  2.24845668378898 Angstroms
sigma value = 43


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

Energy: 1.4341905359075335
Energy: 1.2727125615460522
Energy: 0.9624248026650662
Energy: 1.2727125615460522
Energy: 1.4341905359075335
Energy: 1.2727125615460522
Energy: 1.6150089013855329
Energy: 1.0413285531761038
Energy: 0.9630305418950565
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Energy: 1.6150089013855329
Energy: 1.0413285531761038
Energy: 1.0109736783251284
Energy: 0.9672965437978307
Energy: 1.1385647379228725
Energy: 0.9672965437978307
Energy: 1.0109736783251284
Energy: 0.9672965437978307
Energy: 1.18734595627086
Energy: 0.9738222825323818
Energy: 0.9627134101719456
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Energy: 1.18734595627086
Energy: 0.9738222825323818
Energy: 0.9689071376397408
Energy: 1.1155772381738456
Energy: 0.9711442971765722
Energy: 1.1155772381738456
Energy: 0.9689071376397408
Energy: 1.1155772381747586
Energy: 0.9615831050813518
Energy: 0.9622542751009154
Energy: 0.9623963179881776
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Energy: 0.9671321538381402
Energy: 1.1109698750021644
Energy: 1.1940487839049665
Energy: 1.1109698750021644
Energy: 0.9671321538381402
Energy: 1.1109698750021644
Energy: 1.003416184335833
Energy: 0.9635205201315276
Energy: 1.0071629866183673
Energy: 0.9635205201315276
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Energy: 0.9635205201315276
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Energy: 0.9741525085132084
Energy: 1.4327002573248726
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Energy: 0.9771442175117341
Energy: 0.9741525085132084
Energy: 0.9723567613332111
Energy: 1.2569668528121674
Energy: 1.427372426176485
Energy: 1.2569668528121674
Energy: 0.9723567613332111
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Energy: 0.966798712130171
Energy: 0.9614065061763036
Energy: 1.397338278353509
Energy: 0.9614065061753908
Energy: 0.966798712130171
Energy: 0.9614065061763036
Energy: 0.9766159022941926
Energy: 0.963429632014738
Energy: 1.0073452831419654
Energy: 0.9634296320138253
Energy: 0.9766159022941926
Energy: 0.9634296320138253
Energy: 0.977030764606417
Energy: 0.9634586210889313
Energy: 1.1759442524128567
Energy: 0.9634586210889313
Energy: 0.977030764606417
Energy: 0.9634586210889313
Energy: 0.9685119841455561
Energy: 1.257169514033147
Energy: 0.962581158489641
Energy: 1.257169514033147
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Energy: 1.257169514033147
Energy: 0.9669543321813047
Energy: 0.9611070382826675
Energy: 0.9623198928977892
Energy: 0.9611070382826675
Energy: 0.9669543321813047
Energy: 0.9611070382826675
Energy: 1.4133801138372917
Energy: 0.9633316081424439
Energy: 0.9631273717489809
Energy: 0.9633316081433566
Energy: 1.4133801138372917
Energy: 0.9633316081433566
Energy: 1.4120266601906883
Energy: 0.9642476386628328
Energy: 1.303632714848586
Energy: 0.9642476386628328
Energy: 1.4120266601906883
Energy: 0.9642476386628328
Energy: 1.4298997399117026
Energy: 1.2575722375213536
Energy: 0.9687898831729327
Energy: 1.2575722375213536
Energy: 1.4298997399117026
Energy: 1.2575722375213536
Energy: 1.4273749986669653
Energy: 1.257864864903504
Energy: 0.9691831855759321
Energy: 1.257864864903504
Energy: 1.4273749986669653
Energy: 1.257864864903504
Energy: 1.413408053721374
Energy: 1.2733926948974161
Energy: 0.9635559354086365
Energy: 1.2733926948974161
Energy: 1.413408053721374
Energy: 1.2733926948974161
Energy: 1.4119438927620582
Energy: 1.2937650428962182
Energy: 0.9639905605859339
Energy: 1.2937650428971308
Energy: 1.4119438927620582
Energy: 1.2937650428971308
Energy: 0.9683297771215594
Energy: 0.9599937267674378
Energy: 0.9633809609596263
Energy: 0.9599937267665248
Energy: 0.9683297771215594
Energy: 0.9599937267665248
Energy: 0.9668549745050433
Energy: 1.257966280018484
Energy: 0.9627925673895847
Energy: 1.257966280019397
Energy: 0.9668549745050433
Energy: 1.257966280019397
Energy: 0.9628012432704705
Energy: 0.9615437849286361
Energy: 0.9644074878170025
Energy: 0.961543784935026
Energy: 0.9628012432704705
Energy: 0.9615437849295491
Energy: 0.9763160494096613
Energy: 1.2936437601324011
Energy: 1.0078572757283588
Energy: 1.2936437601324011
Energy: 0.9763160494096613
Energy: 1.2936437601324011
Energy: 0.9666213309136525
Energy: 0.9614078075451091
Energy: 1.404957418859994
Energy: 0.9614078075441963
Energy: 0.9666213309136525
Energy: 0.9614078075441963
Energy: 0.96876880238113
Energy: 1.2575696259331577
Energy: 1.4260536154227978
Energy: 1.2575696259331577
Energy: 0.96876880238113
Energy: 1.2575696259331577
Energy: 0.9712771485959115
Energy: 0.9641627325543266
Energy: 1.2380652520676867
Energy: 0.9641627325543266
Energy: 0.9712771485959115
Energy: 0.9641627325534138
Energy: 1.0051992431884307
Energy: 0.9638112520636561
Energy: 1.0077360608248864
Energy: 0.9638112520636561
Energy: 1.0051992431884307
Energy: 0.9638112520636561
Energy: 0.9660012893804539
Energy: 0.963529272681975
Energy: 1.1995452823731079
Energy: 0.963529272681975
Energy: 0.9660012893804539
Energy: 0.963529272681975
Energy: 0.9653405962680796
Energy: 0.9623514253929341
Energy: 0.9625381030478558
Energy: 0.9623514253929341
Energy: 0.9653405962680796
Energy: 0.9623514253929341

minimum gb energy = 0.9599937267665248 eV
minimum distance =  2.24865370559348 Angstroms
sigma value = 57


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

Energy: 1.121446030803831
Energy: 1.047956757669193
Energy: 1.4987477099511213
Energy: 1.047956757669193
Energy: 1.121446030803831
Energy: 1.0479567576703748
Energy: 1.0557297916950277
Energy: 1.1453157804149654
Energy: 1.048320860242933
Energy: 1.1453157804149654
Energy: 1.0557297916950277
Energy: 1.1453157804149654
Energy: 1.0493810627512077
Energy: 1.242142813884647
Energy: 1.2308099560161463
Energy: 1.242142813884647
Energy: 1.0493810627512077
Energy: 1.242142813883465
Energy: 1.054725507122525
Energy: 1.054732283642569
Energy: 1.0481818703402768
Energy: 1.054732283642569
Energy: 1.054725507122525
Energy: 1.054732283642569
Energy: 1.0482902081083265
Energy: 1.0615653334353392
Energy: 1.0681208717919446
Energy: 1.0615653334353392
Energy: 1.0482902081071448
Energy: 1.0615653334353392
Energy: 1.0492485126383058
Energy: 1.047110038760054
Energy: 1.0462082365198135
Energy: 1.047110038760054
Energy: 1.0492485126383058
Energy: 1.047110038760054
Energy: 1.0544509517439977
Energy: 1.0543240247692336
Energy: 1.0682366602038404
Energy: 1.0543240247692336
Energy: 1.0544509517439977
Energy: 1.0543240247692336
Energy: 1.0555724292273605
Energy: 1.050650746124
Energy: 1.1205088378405574
Energy: 1.050650746124
Energy: 1.0555724292273605
Energy: 1.050650746124
Energy: 1.0482569541304145
Energy: 1.1247884873033436
Energy: 1.0819341318961009
Energy: 1.1247884873033436
Energy: 1.0482569541304145
Energy: 1.1247884873033436
Energy: 1.048178732283668
Energy: 1.047094630725719
Energy: 1.0463741696239635
Energy: 1.047094630725719
Energy: 1.048178732283668
Energy: 1.047094630725719
Energy: 1.0545888903333667
Energy: 1.0509676085408517
Energy: 1.0493007783275707
Energy: 1.0509676085408517
Energy: 1.0545888903333667
Energy: 1.0509676085408517
Energy: 1.051327025927221
Energy: 1.0509606433189258
Energy: 1.0483474840220994
Energy: 1.0509606433189258
Energy: 1.051327025927221
Energy: 1.0509606433189258
Energy: 1.0484184478660652
Energy: 1.0473339478194534
Energy: 1.1219103388426346
Energy: 1.0473339478182715
Energy: 1.0484184478660652
Energy: 1.0473339478182715
Energy: 1.088076330795911
Energy: 1.0476717694328654
Energy: 1.0513466797584896
Energy: 1.0476717694328654
Energy: 1.088076330795911
Energy: 1.0476717694328654
Energy: 1.6544400651086117
Energy: 1.0519193367610902
Energy: 1.0555945724790485
Energy: 1.0519193367610902
Energy: 1.6544400651086117
Energy: 1.0519193367610902
Energy: 1.0512181904085165
Energy: 1.0469030346044907
Energy: 1.0491782579003301
Energy: 1.0469030346044907
Energy: 1.0512181904085165
Energy: 1.046903034603309
Energy: 1.0487094088626894
Energy: 1.050722919219683
Energy: 1.0548006440234752
Energy: 1.050722919219683
Energy: 1.0487094088615077
Energy: 1.0507229192185013
Energy: 1.0476949657321344
Energy: 1.0785498842620145
Energy: 1.0475879133691912
Energy: 1.0757293024743775
Energy: 1.0476949657321344
Energy: 1.0785498842620145
Energy: 1.0546784627271568
Energy: 1.05070657916913
Energy: 1.0487149120425492
Energy: 1.05070657916913
Energy: 1.0546784627271568
Energy: 1.05070657916913
Energy: 1.0491343087624498
Energy: 1.0469836505342616
Energy: 1.051170253108968
Energy: 1.0469836505342616
Energy: 1.0491343087624498
Energy: 1.0469836505354433
Energy: 1.0555308620627222
Energy: 1.0518958425056184
Energy: 1.654449505889555
Energy: 1.0518958425056184
Energy: 1.0555308620638773
Energy: 1.0518958425056184
Energy: 1.051432143626717
Energy: 1.1517176887831757
Energy: 1.068526840837686
Energy: 1.1517176887831757
Energy: 1.051432143626717
Energy: 1.1517176887831757
Energy: 1.0927128486865556
Energy: 1.0474227123627045
Energy: 1.048437302877032
Energy: 1.0474227123627045
Energy: 1.0927128486877378
Energy: 1.0474227123627045
Energy: 1.0484108237915926
Energy: 1.0508231566995927
Energy: 1.0510939003163542
Energy: 1.0508231566995927
Energy: 1.0484108237915926
Energy: 1.0508231566984108

minimum gb energy = 1.0462082365198135 eV
minimum distance =  2.25873388891391 Angstroms
sigma value = 17


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

Energy: 1.1688840326738337
Energy: 1.1687204699701348
Energy: 1.5454498122766789
Energy: 1.1687204699701348
Energy: 1.1688840326738337
Energy: 1.1687204699701348
Energy: 1.1982421750484862
Energy: 1.1701240960060173
Energy: 1.170292409923276
Energy: 1.1701240960060173
Energy: 1.1982421750484862
Energy: 1.1701240960060173
Energy: 1.1723292580124598
Energy: 1.1732670355714292
Energy: 1.1866013657052468
Energy: 1.1732670355714292
Energy: 1.1723292580124598
Energy: 1.1732670355714292
Energy: 1.1879096070776711
Energy: 1.1698465832650469
Energy: 1.1706468787595878
Energy: 1.1698465832650469
Energy: 1.1879096070776711
Energy: 1.1698465832650469
Energy: 1.1692856250356993
Energy: 1.1702463645305505
Energy: 1.1807872264338073
Energy: 1.1702463645305505
Energy: 1.1692856250356993
Energy: 1.1702463645305505
Energy: 1.1727240973690634
Energy: 1.169471802684923
Energy: 1.1699358645404254
Energy: 1.169471802684923
Energy: 1.1727240973690634
Energy: 1.169471802684923
Energy: 1.1723381253606937
Energy: 1.3270989463505038
Energy: 1.199179240496655
Energy: 1.3270989463488325
Energy: 1.1723381253606937
Energy: 1.3270989463488325
Energy: 1.1703425570203427
Energy: 1.4193745000155076
Energy: 1.170583236536393
Energy: 1.4193745000155076
Energy: 1.1703425570203427
Energy: 1.4193745000155076
Energy: 1.1692071249604694
Energy: 1.16938769560065
Energy: 1.282127812959182
Energy: 1.16938769560065
Energy: 1.1692071249604694
Energy: 1.16938769560065
Energy: 1.1692738944876084
Energy: 1.1505868078720498
Energy: 1.1701628889424154
Energy: 1.1505868078720498
Energy: 1.1692738944876084
Energy: 1.1505868078720498
Energy: 1.174190304665197
Energy: 1.578449552895883
Energy: 1.1751110103149018
Energy: 1.578449552895883
Energy: 1.174190304665197
Energy: 1.578449552895883
Energy: 1.1701007864554345
Energy: 1.170912499930294
Energy: 1.1738171941398508
Energy: 1.170912499930294
Energy: 1.1701007864554345
Energy: 1.170912499930294
Energy: 1.1691637637151762
Energy: 1.4199766756877716
Energy: 1.1720431795469899
Energy: 1.4199766756877716
Energy: 1.1691637637151762
Energy: 1.4199766756877716
Energy: 1.1723706988391953
Energy: 1.1699840007980697
Energy: 1.1697946973458337
Energy: 1.1699840007980697
Energy: 1.1723706988391953
Energy: 1.1699840007980697
Energy: 1.1721892871941868
Energy: 1.4048970482203407
Energy: 1.1692082129212669
Energy: 1.4048970482203407
Energy: 1.1721892871941868
Energy: 1.4048970482203407
Energy: 1.1733277946096947
Energy: 1.4056701721452782
Energy: 1.1691442551619042
Energy: 1.4056701721452782
Energy: 1.1733277946096947
Energy: 1.4056701721452782
Energy: 1.174969417458828
Energy: 1.1704833979647873
Energy: 1.1723584622739658
Energy: 1.1704833979647873
Energy: 1.174969417458828
Energy: 1.1704833979647873

minimum gb energy = 1.1505868078720498 eV
minimum distance =  2.23900381183341 Angstroms
sigma value = 17


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

Energy: 1.5719069100029757
Energy: 1.6267491786231865
Energy: 1.526512649744581
Energy: 1.626749178622541
Energy: 1.5719069100023302
Energy: 1.626749178622541
Energy: 1.4536325631104376
Energy: 1.2326632944923444
Energy: 1.2185707514396762
Energy: 1.2326632944916989
Energy: 1.4536325631104376
Energy: 1.2326632944916989
Energy: 1.2203641593511974
Energy: 1.2540344533847834
Energy: 1.227158564500646
Energy: 1.2540344533841377
Energy: 1.2203641593505516
Energy: 1.2540344533834922
Energy: 1.2504223367349396
Energy: 1.461036290995152
Energy: 1.254730744570172
Energy: 1.461036290995152
Energy: 1.2504223367349396
Energy: 1.461036290995152
Energy: 1.2229356001027858
Energy: 1.2737422264417442
Energy: 1.4669199385930427
Energy: 1.2737422264423897
Energy: 1.2229356001027858
Energy: 1.2737422264423897
Energy: 1.2675802212067946
Energy: 1.2250799381043294
Energy: 1.2785395116049754
Energy: 1.2250799381043294
Energy: 1.2675802212067946
Energy: 1.2250799381043294
Energy: 1.2163112506976732
Energy: 1.270651198236177
Energy: 1.4004401865614173
Energy: 1.2706511982355313
Energy: 1.2163112506976732
Energy: 1.2706511982355313
Energy: 1.4668518798329084
Energy: 1.2166577299092398
Energy: 1.216171397785798
Energy: 1.2166577299085946
Energy: 1.4668518798329084
Energy: 1.2166577299085946
Energy: 1.280474282370687
Energy: 1.2207121324202825
Energy: 1.2280814668155342
Energy: 1.2207121324202825
Energy: 1.280474282370687
Energy: 1.2207121324202825
Energy: 1.4621729701379074
Energy: 1.2711873305362908
Energy: 1.2118116855248626
Energy: 1.2711873305369363
Energy: 1.4621729701385529
Energy: 1.2712785560002082
Energy: 1.2560414240402484
Energy: 1.5446757422991757
Energy: 1.2518113195398184
Energy: 1.5446757422985302
Energy: 1.2560414240396027
Energy: 1.5446757422978847
Energy: 1.2262568459451184
Energy: 1.4748060308406574
Energy: 1.224832716478115
Energy: 1.4748060308406574
Energy: 1.2262568459451184
Energy: 1.4748060308413027
Energy: 1.2197528648553413
Energy: 1.2198620842843584
Energy: 1.4927039710321777
Energy: 1.2198620842843584
Energy: 1.2197528648559866
Energy: 1.2198620842843584
Energy: 1.2343911948188915
Energy: 1.6203566603707649
Energy: 1.580705246935296
Energy: 1.6203566603701196
Energy: 1.2343911948188915
Energy: 1.6203566603701196
Energy: 1.2321410336456116
Energy: 1.2228602349972408
Energy: 1.2518149851460512
Energy: 1.222860234997886
Energy: 1.232141033644966
Energy: 1.2228602349972408
Energy: 1.2553446221573163
Energy: 1.5356338922636952
Energy: 1.2248925721229633
Energy: 1.5356338922636952
Energy: 1.2553446221566709
Energy: 1.5356338922630495
Energy: 1.2641671148404097
Energy: 1.214555244605266
Energy: 1.2499524864399347
Energy: 1.2145552446046206
Energy: 1.2641671148397642
Energy: 1.2145552446039751
Energy: 1.5649919344999836
Energy: 1.4711963449017795
Energy: 1.2279791483605742
Energy: 1.4711963449017795
Energy: 1.5649919344993382
Energy: 1.4711963449017795
Energy: 1.4917319623461764
Energy: 1.4392969782875202
Energy: 1.2206191381827414
Energy: 1.4392969782875202
Energy: 1.4917319623468217
Energy: 1.4392969782875202
Energy: 1.2247156202345046
Energy: 1.2590619571031127
Energy: 1.2248915383145054
Energy: 1.2421273135358175
Energy: 1.2247156202345046
Energy: 1.2590619571037582
Energy: 1.2205815348494853
Energy: 1.4394981489637555
Energy: 1.5722773102018777
Energy: 1.4394981489637555
Energy: 1.2205815348494853
Energy: 1.4394981489637555
Energy: 1.2280278814339867
Energy: 1.471208447655913
Energy: 1.565011961364632
Energy: 1.4712084476565586
Energy: 1.2280278814339867
Energy: 1.4712084476565586
Energy: 1.223321001497779
Energy: 1.2145527500158333
Energy: 1.26418541390133
Energy: 1.2145527500164788
Energy: 1.223321001497779
Energy: 1.2145527500171243
Energy: 1.224894492082812
Energy: 1.5322818796532052
Energy: 1.2554245236469415
Energy: 1.5322818796544961
Energy: 1.224894492082812
Energy: 1.5322818796551416
Energy: 1.2517781224284095
Energy: 1.2225885085964763
Energy: 1.2321779506267416
Energy: 1.2225885085951855
Energy: 1.2517781224277642
Energy: 1.2225885085964763
Energy: 1.580499684545529
Energy: 1.6203173213844382
Energy: 1.2343338874842968
Energy: 1.6203173213844382
Energy: 1.5804996845448833
Energy: 1.6203173213844382
Energy: 1.4939250624731755
Energy: 1.2202257978784845
Energy: 1.2198102068680758
Energy: 1.2202257978778392
Energy: 1.4939250624731755
Energy: 1.2202257978784845
Energy: 1.2248590535153878
Energy: 1.4745814371405175
Energy: 1.2261497829198789
Energy: 1.4745814371411625
Energy: 1.2248590535153878
Energy: 1.4745814371411625
Energy: 1.2516952426531232
Energy: 1.544700726838168
Energy: 1.2560577349347173
Energy: 1.544700726838168
Energy: 1.2516952426524774
Energy: 1.5447007268388133
Energy: 1.2118630399514914
Energy: 1.27006327386034
Energy: 1.4619817202363898
Energy: 1.27006327386034
Energy: 1.211863039952137
Energy: 1.27006327386034
Energy: 1.2282235347068806
Energy: 1.225710410961907
Energy: 1.280474719127619
Energy: 1.2257104109625523
Energy: 1.2282235347068806
Energy: 1.2257104109625523
Energy: 1.2162047633078419
Energy: 1.216601192185619
Energy: 1.4669030315416745
Energy: 1.2166011921849735
Energy: 1.2162047633071964
Energy: 1.2166011921849735
Energy: 1.4005247359703301
Energy: 1.2707655043522696
Energy: 1.2163566804149166
Energy: 1.2707655043529154
Energy: 1.4005247359703301
Energy: 1.2707655043535608
Energy: 1.278547170480289
Energy: 1.225735842555662
Energy: 1.267669543200666
Energy: 1.225735842555662
Energy: 1.278547170480289
Energy: 1.2257358425563074
Energy: 1.4541458274964276
Energy: 1.2737422264436808
Energy: 1.222949800691047
Energy: 1.2737422264430354
Energy: 1.4541458274964276
Energy: 1.2737422264430354
Energy: 1.2547374884854245
Energy: 1.461019108304337
Energy: 1.2503030941034277
Energy: 1.4610191083049824
Energy: 1.2547374884854245
Energy: 1.4610191083049824
Energy: 1.2270415698731587
Energy: 1.2539859821406412
Energy: 1.220380378240003
Energy: 1.2539859821406412
Energy: 1.2270415698744497
Energy: 1.2539859821406412
Energy: 1.218633725693937
Energy: 1.2327216788257525
Energy: 1.4535317546569124
Energy: 1.2327216788251072
Energy: 1.2186337256945825
Energy: 1.2327216788251072
Energy: 1.4672191027420491
Energy: 1.6267491786231865
Energy: 1.5719069100029757
Energy: 1.6267491786231865
Energy: 1.4672191027420491
Energy: 1.6267491786231865
Energy: 1.2185707514396762
Energy: 1.2326632944916989
Energy: 1.4536325631097922
Energy: 1.2326632944916989
Energy: 1.2185707514396762
Energy: 1.2326632944916989
Energy: 1.2271585644987093
Energy: 1.2540344533834922
Energy: 1.2203641593511974
Energy: 1.2540344533841377
Energy: 1.2271585644987093
Energy: 1.2540344533841377
Energy: 1.2547307445708176
Energy: 1.4610362909945065
Energy: 1.2504223367342941
Energy: 1.461036290995152
Energy: 1.2547307445708176
Energy: 1.461036290995152
Energy: 1.466919938592397
Energy: 1.2737422264417442
Energy: 1.2229356001027858
Energy: 1.2737422264410987
Energy: 1.466919938592397
Energy: 1.2737422264417442

minimum gb energy = 1.2118116855248626 eV
minimum distance =  2.21764743333456 Angstroms
sigma value = 57


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

Energy: 1.3016503406265627
Energy: 1.5913629872247643
Energy: 1.5460910557333662
Energy: 1.5913629872268662
Energy: 1.3016503406255118
Energy: 1.5913629872258153
Energy: 1.3049843658776623
Energy: 1.2382151285914609
Energy: 1.2381546730428215
Energy: 1.238215128588308
Energy: 1.3049843658766114
Energy: 1.238215128588308
Energy: 1.224769372645405
Energy: 1.2922839568414264
Energy: 1.2405320658535248
Energy: 1.2922839568393247
Energy: 1.224769372645405
Energy: 1.2922839568393247
Energy: 1.4113330433587357
Energy: 1.2730368650745596
Energy: 1.2734745833785441
Energy: 1.2730368650756108
Energy: 1.4113330433587357
Energy: 1.2730368650756108
Energy: 1.2255492540758715
Energy: 1.299957570803763
Energy: 1.3235064252273292
Energy: 1.299957570803763
Energy: 1.2255492540748207
Energy: 1.2999575708048139
Energy: 1.295057881946936
Energy: 1.2730067898844797
Energy: 1.273179915209625
Energy: 1.2730067898823776
Energy: 1.295057881946936
Energy: 1.2730067898823776
Energy: 1.2255001943321577
Energy: 1.2904737603747125
Energy: 1.2400303713025724
Energy: 1.2904737603768142
Energy: 1.2255001943321577
Energy: 1.2904737603768142
Energy: 1.5565609152676143
Energy: 1.2513301017985248
Energy: 1.2381249034225068
Energy: 1.2513301017974736
Energy: 1.5565609152676143
Energy: 1.2513301017974736
Energy: 1.3033303333976636
Energy: 1.5879866230425557
Energy: 1.241506912318341
Energy: 1.5879866230446575
Energy: 1.3033303333987143
Energy: 1.5879866230457087
Energy: 1.2871388950140297
Energy: 1.2382903117043464
Energy: 1.238286053371321
Energy: 1.2382903117043464
Energy: 1.2871388950140297
Energy: 1.2382903117043464
Energy: 1.225704912992553
Energy: 1.4179117148991927
Energy: 1.2734798623759698
Energy: 1.4179117148981417
Energy: 1.225704912992553
Energy: 1.4179117148991927
Energy: 1.3029588393780926
Energy: 1.2739284239737785
Energy: 1.274777823480163
Energy: 1.2739284239716768
Energy: 1.3029588393780926
Energy: 1.2739284239716768
Energy: 1.228629785791456
Energy: 1.4604437925799756
Energy: 1.2738192176181666
Energy: 1.4604437925778737
Energy: 1.228629785791456
Energy: 1.4604437925778737
Energy: 1.3065957127548355
Energy: 1.4555626921519338
Energy: 1.2748064837806505
Energy: 1.4555626921519338
Energy: 1.3065957127548355
Energy: 1.4555626921508829
Energy: 1.2297476630565913
Energy: 1.2908874606665284
Energy: 1.2478553206824787
Energy: 1.2908874606675795
Energy: 1.229747663057642
Energy: 1.2908874606686307
Energy: 1.5477358899026423
Energy: 1.4519969608006893
Energy: 1.2383407377448477
Energy: 1.4519969608017402
Energy: 1.5477358899026423
Energy: 1.4519969608017402
Energy: 1.3101326638605038
Energy: 1.5887113303233587
Energy: 1.243134390124195
Energy: 1.5887113303244096
Energy: 1.310132663859453
Energy: 1.5887113303244096
Energy: 1.3066954122692842
Energy: 1.2929239169305884
Energy: 1.2406960133022635
Energy: 1.2929239169305884
Energy: 1.3066954122692842
Energy: 1.2929239169316393
Energy: 1.2301980052622943
Energy: 1.4174918447119098
Energy: 1.273792431237966
Energy: 1.4174918447119098
Energy: 1.2301980052622943
Energy: 1.417491844710859
Energy: 1.3002458422813181
Energy: 1.4863904113385125
Energy: 1.2825199785142591
Energy: 1.4863904113353594
Energy: 1.3002458422813181
Energy: 1.4863904113353594
Energy: 1.2345087827916155
Energy: 1.2914546971214373
Energy: 1.2828512987902416
Energy: 1.2914546971204341
Energy: 1.2345087827916155
Energy: 1.2914546971193834
Energy: 1.2332390865892442
Energy: 1.418366917112226
Energy: 1.2826929849721016
Energy: 1.418366917111175
Energy: 1.2332390865902951
Energy: 1.418366917111175
Energy: 1.2374491255145983
Energy: 1.2922051548182196
Energy: 1.2432883926652805
Energy: 1.2922051548213729
Energy: 1.2374491255145983
Energy: 1.2922051548213729
Energy: 1.3150008584782389
Energy: 1.4772693300547777
Energy: 1.2405824929266676
Energy: 1.4772693300547777
Energy: 1.3150008584782389
Energy: 1.4772693300547777
Energy: 1.3020733028562579
Energy: 1.4763735488017893
Energy: 1.2389783092392077
Energy: 1.4763735488028402
Energy: 1.3020733028562579
Energy: 1.4763735488028402
Energy: 1.2331822456837804
Energy: 1.2915980274163466
Energy: 1.246798076448004
Energy: 1.2915980274173973
Energy: 1.2331822456837804
Energy: 1.2915980274173973
Energy: 1.2372873391213823
Energy: 1.422079267419783
Energy: 1.278035616888644
Energy: 1.4220792674229359
Energy: 1.2372873391213823
Energy: 1.4220792674218852

minimum gb energy = 1.224769372645405 eV
minimum distance =  2.17788316361299 Angstroms
sigma value = 43


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

Energy: 1.3548033092711909
Energy: 1.5575453958381682
Energy: 1.7351450655344725
Energy: 1.5575453958381682
Energy: 1.3548033092711909
Energy: 1.5575453958381682
Energy: 1.3186646814978333
Energy: 1.2685464443117964
Energy: 1.2447087960363834
Energy: 1.2685464443110306
Energy: 1.3186646814978333
Energy: 1.2685464443110306
Energy: 1.2437825031874574
Energy: 1.3301500369898778
Energy: 1.2438505275928406
Energy: 1.3301500369898778
Energy: 1.2437825031874574
Energy: 1.3301500369898778
Energy: 1.3005943039048202
Energy: 1.5387591244014973
Energy: 1.310304420575597
Energy: 1.5387591244014973
Energy: 1.300594303902523
Energy: 1.5387591244007313
Energy: 1.2567901979738099
Energy: 1.3307990650699175
Energy: 1.3419533145320257
Energy: 1.3307990650699175
Energy: 1.2567901979738099
Energy: 1.3307990650699175
Energy: 1.3032963809492244
Energy: 1.3017194745376188
Energy: 1.2568421254371636
Energy: 1.3017194745368532
Energy: 1.3032963809492244
Energy: 1.3017194745368532
Energy: 1.2582466373643255
Energy: 1.3019089366472547
Energy: 1.2695330457891036
Energy: 1.3019089366472547
Energy: 1.2582466373650911
Energy: 1.3019089366472547
Energy: 1.3620056774522271
Energy: 1.330321644591967
Energy: 1.2563244119909134
Energy: 1.3303216445927326
Energy: 1.3620056774522271
Energy: 1.330321644591967
Energy: 1.3112428893618564
Energy: 1.5390262875791239
Energy: 1.3286734508370177
Energy: 1.5390262875791239
Energy: 1.3112428893618564
Energy: 1.5390262875791239
Energy: 1.448690126574161
Energy: 1.328529924318711
Energy: 1.247177527536646
Energy: 1.328529924319477
Energy: 1.448690126574161
Energy: 1.328529924319477
Energy: 1.2462656746524663
Energy: 1.2817777831746535
Energy: 1.6319548381915339
Energy: 1.2817777831746535
Energy: 1.2462656746524663
Energy: 1.2817777831746535
Energy: 1.2700208495296998
Energy: 1.5582893139344691
Energy: 1.3589201578424974
Energy: 1.558289313935235
Energy: 1.2700208495296998
Energy: 1.558289313935235
Energy: 1.2502590273521645
Energy: 1.2696654335977082
Energy: 1.3287433742758274
Energy: 1.269665433598474
Energy: 1.2502590273521645
Energy: 1.269665433598474
Energy: 1.3109954300678093
Energy: 1.3999338597366127
Energy: 1.2472630342670863
Energy: 1.3999338597366127
Energy: 1.3109954300685747
Energy: 1.3999338597358468
Energy: 1.3156541230644576
Energy: 1.5399851708926275
Energy: 1.2713013971419374
Energy: 1.5399851708918615
Energy: 1.3156541230644576
Energy: 1.5399851708926275
Energy: 1.303108730684096
Energy: 1.3381577181974669
Energy: 1.263640428631631
Energy: 1.3381577181974669
Energy: 1.303108730684862
Energy: 1.3381577181974669
Energy: 1.2639869135359936
Energy: 1.41504949630328
Energy: 1.3025333414002447
Energy: 1.41504949630328
Energy: 1.2639869135367592
Energy: 1.4150494963025142
Energy: 1.2804639849321413
Energy: 1.3032986251624015
Energy: 1.2561863722763027
Energy: 1.3032986251631673
Energy: 1.2804639849321413
Energy: 1.3032986251631673
Energy: 1.2794799980989107
Energy: 1.4070322738350816
Energy: 1.310988993445554
Energy: 1.4070322738343162
Energy: 1.2794799980989107
Energy: 1.4070322738343162
Energy: 1.245525643587753
Energy: 1.6218504780354444
Energy: 1.3191340118158335
Energy: 1.6218504780362102
Energy: 1.245525643587753
Energy: 1.6218504780354444
Energy: 1.244125798640817
Energy: 1.3288259148511967
Energy: 1.2692476400034263
Energy: 1.3288259148511967
Energy: 1.244125798640817
Energy: 1.3288259148511967
Energy: 1.6327349757136
Energy: 1.4038860411408578
Energy: 1.2467508669509113
Energy: 1.4038860411408578
Energy: 1.6327349757136
Energy: 1.4038860411408578
Energy: 1.5096610309700302
Energy: 1.2457266324330736
Energy: 1.2693925755700703
Energy: 1.2457266324330736
Energy: 1.5096610309700302
Energy: 1.2457266324338394
Energy: 1.2456137295571008
Energy: 1.4051938019075334
Energy: 1.2687598054228348
Energy: 1.4051938019067676
Energy: 1.2456137295578669
Energy: 1.4051938019075334
Energy: 1.2445934953993658
Energy: 1.2569612694022065
Energy: 1.3106988710020346
Energy: 1.256961269401441
Energy: 1.2445934953986004
Energy: 1.2569612694022065
Energy: 1.2836604856008715
Energy: 1.3998818985427905
Energy: 1.3104396246224652
Energy: 1.3998818985427905
Energy: 1.2836604856016374
Energy: 1.3998818985427905
Energy: 1.2525973696633224
Energy: 1.399398261087235
Energy: 1.3017896416341093
Energy: 1.399398261087235
Energy: 1.2525973696633224
Energy: 1.3993982610880007
Energy: 1.3019012913081922
Energy: 1.6421149256755743
Energy: 1.3020827347632058
Energy: 1.6421149256755743
Energy: 1.3019012913081922
Energy: 1.6421149256755743
Energy: 1.301751623337602
Energy: 1.399366890607168
Energy: 1.2801931069897936
Energy: 1.399366890607168
Energy: 1.301751623337602
Energy: 1.3993668906064023
Energy: 1.3105447844490485
Energy: 1.4000647146745238
Energy: 1.2836796137845865
Energy: 1.4000647146760552
Energy: 1.3105447844490485
Energy: 1.4000647146752891
Energy: 1.3106644250299724
Energy: 1.2569315752350272
Energy: 1.2445207394909454
Energy: 1.2569315752350272
Energy: 1.3106644250299724
Energy: 1.2569315752365589
Energy: 1.268819667042538
Energy: 1.4041877482993435
Energy: 1.2452942982382993
Energy: 1.4041877482993435
Energy: 1.2688196670433036
Energy: 1.4041877482993435
Energy: 1.2694483899848517
Energy: 1.2457206954324878
Energy: 1.686223857861358
Energy: 1.2457206954332536
Energy: 1.2694483899848517
Energy: 1.2457206954340192
Energy: 1.2469828753544816
Energy: 1.403709286878398
Energy: 1.6328316886371288
Energy: 1.4037092868776324
Energy: 1.2469828753552472
Energy: 1.4037092868776324
Energy: 1.2692834525334602
Energy: 1.3288807576143122
Energy: 1.2442346874535068
Energy: 1.3288807576135462
Energy: 1.2692834525334602
Energy: 1.3288807576135462
Energy: 1.3190451487351362
Energy: 1.6218419762094363
Energy: 1.2454146785432179
Energy: 1.621841976210202
Energy: 1.3190451487351362
Energy: 1.6218419762094363

minimum gb energy = 1.2437825031874574 eV
minimum distance =  2.17503053165318 Angstroms
sigma value = 81


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

Energy: 1.2265726696619428
Energy: 1.227421807956516
Energy: 1.6183212237246767
Energy: 1.227421807956516
Energy: 1.2265726696619428
Energy: 1.227421807956516
Energy: 1.2272176105922659
Energy: 1.2270568452771788
Energy: 1.2265246645053534
Energy: 1.2270568452774666
Energy: 1.227217610593417
Energy: 1.2270568452774666
Energy: 1.2265235920670305
Energy: 1.2270197320966878
Energy: 1.2272110339353088
Energy: 1.2270197320969756
Energy: 1.2265235920670305
Energy: 1.2270197320966878
Energy: 1.4152058624850539
Energy: 1.227421807956228
Energy: 1.2265726696622306
Energy: 1.227421807956228
Energy: 1.4152058624858852
Energy: 1.227421807956228
Energy: 1.2265246645056411
Energy: 1.2270568452777544
Energy: 1.2272176105959427
Energy: 1.2270568452771788
Energy: 1.2265246645053534
Energy: 1.2270568452771788
Energy: 1.2272110339355644
Energy: 1.2270197320969756
Energy: 1.2265235920670305
Energy: 1.2270197320964
Energy: 1.2272110339355644
Energy: 1.2270197320969756
Energy: 1.2265726696619428
Energy: 1.227421807956516
Energy: 1.415205862498546
Energy: 1.227421807956516
Energy: 1.2265726696619428
Energy: 1.2274218079567718
Energy: 1.2272176105992996
Energy: 1.2270568452774666
Energy: 1.2265246645053534
Energy: 1.2270568452774666
Energy: 1.2272176105998753
Energy: 1.2270568452774666
Energy: 1.2265235920670305
Energy: 1.2270197320966878
Energy: 1.2272110339358524
Energy: 1.2270197320966878
Energy: 1.2265235920670305
Energy: 1.2270197320966878
Energy: 1.4152058625117505
Energy: 1.227421807956516
Energy: 1.2265726696622306
Energy: 1.227421807956516
Energy: 1.4152058625148518
Energy: 1.227421807956228

minimum gb energy = 1.2265235920670305 eV
minimum distance =  2.23225237922633 Angstroms
sigma value = 3


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

Energy: 1.6571004877226758
Energy: 1.499873425662096
Energy: 1.6753106362375394
Energy: 1.4998734256612543
Energy: 1.6571004877226758
Energy: 1.4998734256612543
Energy: 1.25200014000807
Energy: 1.3416175905219534
Energy: 1.2274602144366105
Energy: 1.3416175905253214
Energy: 1.252000140008912
Energy: 1.3416175905202694
Energy: 1.2400081010977901
Energy: 1.2410957523522432
Energy: 1.31019248690983
Energy: 1.2410957523522432
Energy: 1.2400081010977901
Energy: 1.2410957523522432
Energy: 1.5459874854075635
Energy: 1.483765771469504
Energy: 1.3615071829441714
Energy: 1.483765771470346
Energy: 1.5459874854084055
Energy: 1.483765771470346
Energy: 1.330062411454508
Energy: 1.332905403225868
Energy: 1.383369961734558
Energy: 1.332905403225026
Energy: 1.330062411454508
Energy: 1.332905403225026
Energy: 1.3944972500297521
Energy: 1.2856837442786762
Energy: 1.2123005898086623
Energy: 1.285683744279518
Energy: 1.394497250030594
Energy: 1.285683744279518
Energy: 1.3303250486578175
Energy: 1.3327071346379225
Energy: 1.3329222151620184
Energy: 1.3327071346370802
Energy: 1.3303250486578175
Energy: 1.3327071346370802
Energy: 1.3281250443218056
Energy: 1.6118248479122097
Energy: 1.3604555258126065
Energy: 1.611824847910526
Energy: 1.3281250443218056
Energy: 1.6118248479113677
Energy: 1.2426310844359887
Energy: 1.2398668560738098
Energy: 1.4631618232297103
Energy: 1.2398668560738098
Energy: 1.2426310844359887
Energy: 1.2398668560738098
Energy: 1.2437033541604252
Energy: 1.3429409778091734
Energy: 1.2287061574327784
Energy: 1.3429409778108572
Energy: 1.2437033541604252
Energy: 1.3429409778108572
Energy: 1.5426262867775582
Energy: 1.3327920371658208
Energy: 1.340661206701245
Energy: 1.3327920371666246
Energy: 1.5426262867775582
Energy: 1.3327920371666246
Energy: 1.542803217580004
Energy: 1.4012007196802976
Energy: 1.234755729004608
Energy: 1.4012007196794556
Energy: 1.542803217580004
Energy: 1.4012007196794556
Energy: 1.2435479109819667
Energy: 1.2927272996673127
Energy: 1.226798627835286
Energy: 1.2927272996664707
Energy: 1.2435479109819667
Energy: 1.2927272996664707
Energy: 1.2430160738638318
Energy: 1.5653330743899765
Energy: 1.361526961636226
Energy: 1.5653330743899765
Energy: 1.2430160738638318
Energy: 1.5653330743899765
Energy: 1.3291270656717147
Energy: 1.4248472278034858
Energy: 1.3606365343328992
Energy: 1.4248472278043278
Energy: 1.3291270656717147
Energy: 1.4248472278043278
Energy: 1.3277087765608657
Energy: 1.2703530548454633
Energy: 1.2110840309703057
Energy: 1.2703530548446214
Energy: 1.3277087765608657
Energy: 1.2703530548446214
Energy: 1.3285774028403992
Energy: 1.2773933889658298
Energy: 1.211272657228276
Energy: 1.2773933889666715
Energy: 1.3285774028403992
Energy: 1.2773933889658298
Energy: 1.3275180332189855
Energy: 1.3567363544922453
Energy: 1.3610851128117594
Energy: 1.3567363544939293
Energy: 1.3275180332189855
Energy: 1.3567363544939293
Energy: 1.2409540443508633
Energy: 1.42007565989089
Energy: 1.3624860012874893
Energy: 1.42007565989089
Energy: 1.2409540443508633
Energy: 1.42007565989089
Energy: 1.2447073944564582
Energy: 1.3464677657355557
Energy: 1.2274985859339078
Energy: 1.3464677657347137
Energy: 1.2447073944564582
Energy: 1.3464677657355557
Energy: 1.547931635528197
Energy: 1.3406999910457718
Energy: 1.2266019046961039
Energy: 1.3406999910449298
Energy: 1.547931635528197
Energy: 1.3406999910449298
Energy: 1.654899293506492
Energy: 1.4283275184521218
Energy: 1.3406448737700494
Energy: 1.4283275184529638
Energy: 1.654899293506492
Energy: 1.4283275184529638
Energy: 1.2413859656177493
Energy: 1.266586144362801
Energy: 1.2333838150055134
Energy: 1.266586144361959
Energy: 1.2413859656185915
Energy: 1.266586144361959
Energy: 1.2429936817548282
Energy: 1.2396013433881539
Energy: 1.5210952175761365
Energy: 1.2396013433864699
Energy: 1.2429936817548282
Energy: 1.2396013433864699
Energy: 1.327849280490383
Energy: 1.3623043378060224
Energy: 1.3604911974304577
Energy: 1.3623043378060224
Energy: 1.327849280490383
Energy: 1.3623043378060224
Energy: 1.327785359278759
Energy: 1.4570371121964092
Energy: 1.2884010740151977
Energy: 1.4570371121964092
Energy: 1.327785359278759
Energy: 1.4570371121964092
Energy: 1.3278783365676312
Energy: 1.2773632848652288
Energy: 1.2106181092923354
Energy: 1.2773632848643868
Energy: 1.3278783365684732
Energy: 1.2773632848652288
Energy: 1.3276892443799138
Energy: 1.258952006261234
Energy: 1.5215781135765385
Energy: 1.258952006260392
Energy: 1.3276892443799138
Energy: 1.2589520062620763
Energy: 1.3641176178910537
Energy: 1.4785596031893353
Energy: 1.3599604972152226
Energy: 1.4785596031893353
Energy: 1.3641176178910537
Energy: 1.4785596031893353
Energy: 1.241670616636013
Energy: 1.2397309723892798
Energy: 1.4508485402002276
Energy: 1.2397309723884375
Energy: 1.241670616636013
Energy: 1.2397309723892798
Energy: 1.4202541390992691
Energy: 1.353142573182035
Energy: 1.2281180129820508
Energy: 1.353142573182035
Energy: 1.4202541390992691
Energy: 1.353142573182035
Energy: 1.551723890399684
Energy: 1.5541030871332402
Energy: 1.2655922496333536
Energy: 1.5541030871332402
Energy: 1.551723890399684
Energy: 1.5541030871332402
Energy: 1.3113541968218239
Energy: 1.3558983724863596
Energy: 1.2264041841056172
Energy: 1.3558983724863596
Energy: 1.311354196837821
Energy: 1.3558983724863596

minimum gb energy = 1.2106181092923354 eV
minimum distance =  2.1538448687034 Angstroms
sigma value = 67


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

Energy: 1.2667742588192321
Energy: 1.6065372220815208
Energy: 1.6211290328374155
Energy: 1.6065372220827205
Energy: 1.2667742588192321
Energy: 1.6065372220827205
Energy: 1.5648326901416738
Energy: 1.217048135307354
Energy: 1.2048712294659887
Energy: 1.217048135307354
Energy: 1.5648326901416738
Energy: 1.217048135307354
Energy: 1.2167991454785978
Energy: 1.305769359617488
Energy: 1.3880512189550565
Energy: 1.3057693596162883
Energy: 1.2167991454785978
Energy: 1.3057693596162883
Energy: 1.5256566204792823
Energy: 1.6470361048259883
Energy: 1.2092010857851088
Energy: 1.6470361048259883
Energy: 1.5256566204792823
Energy: 1.6470361048259883
Energy: 1.2044278943785216
Energy: 1.6463439184546325
Energy: 1.5810048808210797
Energy: 1.6463439184558324
Energy: 1.2044278943797213
Energy: 1.6463439184558324
Energy: 1.2062532364151695
Energy: 1.5083627331319107
Energy: 1.2052549711876572
Energy: 1.5083627331331102
Energy: 1.2062532364151695
Energy: 1.5083627331319107
Energy: 1.2014634611342971
Energy: 1.2171374713382355
Energy: 1.2216087980560586
Energy: 1.2171374713382355
Energy: 1.2014634611342971
Energy: 1.2171374713382355
Energy: 1.2140642920930063
Energy: 1.461390384294551
Energy: 1.5658193098735158
Energy: 1.4613903842933513
Energy: 1.2140642920930063
Energy: 1.461390384294551
Energy: 1.2154326732541338
Energy: 1.3869100144070547
Energy: 1.5701075273259282
Energy: 1.3869100144070547
Energy: 1.2154326732541338
Energy: 1.3869100144058548
Energy: 1.2191466420891282
Energy: 1.2148862742143702
Energy: 1.2221145673066616
Energy: 1.2148862742143702
Energy: 1.2191466420879284
Energy: 1.2148862742131703
Energy: 1.2081409883868774
Energy: 1.4813054126414598
Energy: 1.2205146618931508
Energy: 1.4813054126414598
Energy: 1.2081409883868774
Energy: 1.4813054126414598
Energy: 1.211915142745678
Energy: 1.2722328872212019
Energy: 1.2119249285808893
Energy: 1.2722328872212019
Energy: 1.211915142745678
Energy: 1.2722328872212019
Energy: 1.2205067367880984
Energy: 1.4813983804682027
Energy: 1.2081752947202204
Energy: 1.4813983804682027
Energy: 1.2205067367880984
Energy: 1.4813983804682027
Energy: 1.2221280146532012
Energy: 1.2149612806107328
Energy: 1.21965560477009
Energy: 1.2149612806119325
Energy: 1.2221280146532012
Energy: 1.2149612806119325
Energy: 1.5640980091306158
Energy: 1.3867108883462633
Energy: 1.215436074096839
Energy: 1.3867108883450638
Energy: 1.5640980091318153
Energy: 1.3867108883450638
Energy: 1.5658225234008247
Energy: 1.4608475552189972
Energy: 1.2141541613269702
Energy: 1.4608475552189972
Energy: 1.5658225234008247
Energy: 1.460847555220197
Energy: 1.221565639520305
Energy: 1.2171602467039564
Energy: 1.2145332042564676
Energy: 1.2171602467039564
Energy: 1.221565639520305
Energy: 1.2171602467039564
Energy: 1.2052287105048032
Energy: 1.5083800117433093
Energy: 1.2061322976810573
Energy: 1.5083800117433093
Energy: 1.2052287105048032
Energy: 1.5083800117433093
Energy: 1.580817398649119
Energy: 1.6462538166929557
Energy: 1.2044503465436132
Energy: 1.6462538166929557
Energy: 1.580817398649119
Energy: 1.6462538166929557
Energy: 1.2091585446079625
Energy: 1.6467228393492614
Energy: 1.5253844432541135
Energy: 1.6467228393480615
Energy: 1.2091585446079625
Energy: 1.6467228393480615
Energy: 1.3881533627400295
Energy: 1.3057693596162883
Energy: 1.213933581079083
Energy: 1.3057693596162883
Energy: 1.3881533627400295
Energy: 1.3057693596162883
Energy: 1.204881824497215
Energy: 1.2169484508956554
Energy: 1.5651836989866275
Energy: 1.2169484508956554
Energy: 1.204881824497215
Energy: 1.2169484508956554
Energy: 1.4147070441291367
Energy: 1.6065372220815208
Energy: 1.2667742588192321
Energy: 1.6065372220815208
Energy: 1.4147070441291367
Energy: 1.6065372220815208

minimum gb energy = 1.2014634611342971 eV
minimum distance =  2.164014753161 Angstroms
sigma value = 33


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

Energy: 1.4305173395128339
Energy: 1.6658785722611755
Energy: 1.5780846851708332
Energy: 1.6658785722611755
Energy: 1.4305173395128339
Energy: 1.6658785722604144
Energy: 1.5827368520156448
Energy: 1.4180953670147844
Energy: 1.16813967960585
Energy: 1.4180953670140235
Energy: 1.5827368520156448
Energy: 1.4180953670140235
Energy: 1.1673531119083116
Energy: 1.238081122352866
Energy: 1.5087242596906985
Energy: 1.238081122352105
Energy: 1.1673531119083116
Energy: 1.238081122352105
Energy: 1.2247463141409431
Energy: 1.346309679248047
Energy: 1.191568499564338
Energy: 1.346309679248808
Energy: 1.224746314140182
Energy: 1.3463096792495688
Energy: 1.3722951132371366
Energy: 1.4677696557678752
Energy: 1.3518233660909433
Energy: 1.4677696557655922
Energy: 1.3722951132371366
Energy: 1.4677696557678752
Energy: 1.3704052453429154
Energy: 1.2499897737955639
Energy: 1.1667921643754124
Energy: 1.249989773796325
Energy: 1.3704052453429154
Energy: 1.3176708008239466
Energy: 1.166842227320991
Energy: 1.1829072414053696
Energy: 1.175341335752685
Energy: 1.1829072414053696
Energy: 1.166842227320991
Energy: 1.1829072414053696
Energy: 1.1789198893441948
Energy: 1.476895687266136
Energy: 1.370130794640952
Energy: 1.476895687265375
Energy: 1.1789198893449557
Energy: 1.476895687266136
Energy: 1.3533407606414307
Energy: 1.3542182166112129
Energy: 1.371468780495567
Energy: 1.3542182166112129
Energy: 1.3533407606421919
Energy: 1.3542182166112129
Energy: 1.1840789500416358
Energy: 1.1788654999935309
Energy: 1.16924402717432
Energy: 1.3914652775338534
Energy: 1.1840789500416358
Energy: 1.1788654999935309
Energy: 1.1621020924170182
Energy: 1.3398987248055112
Energy: 1.1811290043090015
Energy: 1.3398987248062726
Energy: 1.1621020924162573
Energy: 1.3398987248062726
Energy: 1.162347214337526
Energy: 1.2428733829250433
Energy: 1.6134914316994067
Energy: 1.242873382925804
Energy: 1.1623472143382871
Energy: 1.242873382925804
Energy: 1.3653251465905136
Energy: 1.4804619343087875
Energy: 1.4218861850879632
Energy: 1.4804619343080263
Energy: 1.3653251465905136
Energy: 1.4804619343080263
Energy: 1.168163408003745
Energy: 1.419015833546658
Energy: 1.1660267411436995
Energy: 1.4190158335458969
Energy: 1.168163408003745
Energy: 1.4190158335458969
Energy: 1.3518874835174068
Energy: 1.2346320106635398
Energy: 1.1653895760353652
Energy: 1.2346320106635398
Energy: 1.3518874835174068
Energy: 1.2346320106635398
Energy: 1.1914667921851507
Energy: 1.3883582357525213
Energy: 1.5811890523503955
Energy: 1.3883582357525213
Energy: 1.1914667921851507
Energy: 1.3883582357525213
Energy: 1.5781668895252763
Energy: 1.6740888238817708
Energy: 1.392623441125733
Energy: 1.6740888238817708
Energy: 1.5781668895252763
Energy: 1.6740888238817708
Energy: 1.164501795968
Energy: 1.183905534854456
Energy: 1.497302308031779
Energy: 1.183905534853695
Energy: 1.164501795968
Energy: 1.183905534853695
Energy: 1.3872695682224352
Energy: 1.186956843500034
Energy: 1.1653901001548952
Energy: 1.186956843500034
Energy: 1.3872695682224352
Energy: 1.186956843500795
Energy: 1.3726927354398117
Energy: 1.6742287129888713
Energy: 1.17610719845636
Energy: 1.6742287129888713
Energy: 1.3726927354390508
Energy: 1.6742287129888713
Energy: 1.6056372377653734
Energy: 1.526322668871976
Energy: 1.1864374577773698
Energy: 1.526322668871215
Energy: 1.6056372377653734
Energy: 1.526322668871215
Energy: 1.1645921188810038
Energy: 1.389334107962418
Energy: 1.3516665420487175
Energy: 1.389334107962418
Energy: 1.164592118881765
Energy: 1.389334107962418
Energy: 1.1816023079985234
Energy: 1.175906336821698
Energy: 1.1663481664871738
Energy: 1.1759063368209373
Energy: 1.1816023079985234
Energy: 1.1759063368209373
Energy: 1.4204250030932988
Energy: 1.344510267632407
Energy: 1.164435378908694
Energy: 1.344510267632407
Energy: 1.4204250030932988
Energy: 1.3445102676316463
Energy: 1.6105731594911976
Energy: 1.2410350262893273
Energy: 1.1623697248418974
Energy: 1.2410350262900884
Energy: 1.6105731594919588
Energy: 1.2410350262893273
Energy: 1.181869609207097
Energy: 1.4647303685437125
Energy: 1.162664595263498
Energy: 1.4647303685437125
Energy: 1.1818696092063359
Energy: 1.4647303685437125
Energy: 1.166575782969734
Energy: 1.3891376755213922
Energy: 1.3533942848610911
Energy: 1.3891376755221532
Energy: 1.166575782969734
Energy: 1.3891376755221532
Energy: 1.370346774989912
Energy: 1.3411233592483751
Energy: 1.183838155393486
Energy: 1.3411233592483751
Energy: 1.370346774989151
Energy: 1.341123359249136
Energy: 1.3723556391020504
Energy: 1.4695965281720664
Energy: 1.1759836553186127
Energy: 1.4695965281720664
Energy: 1.3723556391020504
Energy: 1.4695965281720664
Energy: 1.1776610128780396
Energy: 1.184059092212319
Energy: 1.1645694604524237
Energy: 1.1840590922115584
Energy: 1.1776610128780396
Energy: 1.1840590922115584
Energy: 1.166885448411389
Energy: 1.318497854397941
Energy: 1.6051420227789606
Energy: 1.318497854397941
Energy: 1.166885448411389
Energy: 1.318497854397941
Energy: 1.3521433250964663
Energy: 1.6740137113458569
Energy: 1.3726521313943925
Energy: 1.674013711346618
Energy: 1.3521433250964663
Energy: 1.674013711346618
Energy: 1.1910845318173495
Energy: 1.3905932532715573
Energy: 1.3918741868853137
Energy: 1.3905932532723184
Energy: 1.1910845318165886
Energy: 1.3905932532723184
Energy: 1.528888180544519
Energy: 1.2359075152543082
Energy: 1.1651491766152857
Energy: 1.2359075152543082
Energy: 1.5288881805452799
Energy: 1.2359075152543082
Energy: 1.1716226994317438
Energy: 1.4193914078981573
Energy: 1.4781964216698062
Energy: 1.4193914078981573
Energy: 1.1716226994317438
Energy: 1.4193914078989185
Energy: 1.3670098199901526
Energy: 1.666520266295208
Energy: 1.4277346454311945
Energy: 1.666520266295208
Energy: 1.3670098199901526
Energy: 1.6665202662944474
Energy: 1.166075552676642
Energy: 1.5450694085791474
Energy: 1.6068514349582437
Energy: 1.5450694085791474
Energy: 1.166075552676642
Energy: 1.5450694085791474

minimum gb energy = 1.1621020924162573 eV
minimum distance =  2.1512326943547 Angstroms
sigma value = 41


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

Energy: 1.0702731524131186
Energy: 1.7043327516106912
Energy: 1.4946363360931647
Energy: 1.704332751608613
Energy: 1.0702731524131186
Energy: 1.704332751608613
Energy: 1.5529857996867358
Energy: 1.0093903970489964
Energy: 1.0091336521578975
Energy: 1.0093903970489964
Energy: 1.5529857996867358
Energy: 1.0093903970489964
Energy: 1.0706125162111895
Energy: 1.1953701128558245
Energy: 1.0099318361982403
Energy: 1.1953701128558245
Energy: 1.0706125162132676
Energy: 1.1953701128537466
Energy: 1.5392116834393088
Energy: 1.0096664825051944
Energy: 1.009155392273324
Energy: 1.0096664825051944
Energy: 1.5392116834393088
Energy: 1.0096664825051944
Energy: 1.0706652177672087
Energy: 1.3966314201688343
Energy: 1.0099442874582063
Energy: 1.3966314201688343
Energy: 1.0706652177672087
Energy: 1.3966314201688343
Energy: 1.068994693479353
Energy: 1.0725763968382955
Energy: 1.0098710096480608
Energy: 1.0725763968382955
Energy: 1.068994693479353
Energy: 1.0725763968382955
Energy: 1.542775578445344
Energy: 1.0099176866872999
Energy: 1.0103674249749903
Energy: 1.0099176866893778
Energy: 1.542775578445344
Energy: 1.0099176866872999
Energy: 1.06860658834023
Energy: 1.010213620894446
Energy: 1.009348521910307
Energy: 1.0102136208923682
Energy: 1.06860658834023
Energy: 1.0102136208923682
Energy: 1.4858171182331295
Energy: 1.0745792158982452
Energy: 1.0102999856403707
Energy: 1.0745792159003233
Energy: 1.4858171182310513
Energy: 1.0745792159003233
Energy: 1.0681326254904633
Energy: 1.3924929977548024
Energy: 1.0098071610359676
Energy: 1.3924929977527245
Energy: 1.0681326254904633
Energy: 1.3924929977527245
Energy: 1.4933625930794103
Energy: 1.0103875037523509
Energy: 1.0100186700611404
Energy: 1.0103875037523509
Energy: 1.4933625930794103
Energy: 1.0103875037523509
Energy: 1.0680864543710242
Energy: 1.1952575436604844
Energy: 1.5369782377633683
Energy: 1.1952575436604844
Energy: 1.0680864543710242
Energy: 1.1952575436604844
Energy: 1.4933942891203185
Energy: 1.0103961809694677
Energy: 1.0100103474131124
Energy: 1.0103961809694677
Energy: 1.4933942891203185
Energy: 1.0103961809715454
Energy: 1.0683382931862844
Energy: 1.3920386738846557
Energy: 1.0097640121778781
Energy: 1.3920386738825776
Energy: 1.0683382931883623
Energy: 1.3920386738825776

minimum gb energy = 1.0091336521578975 eV
minimum distance =  2.2038814224595 Angstroms
sigma value = 11


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

Energy: 1.4904066930633852
Energy: 1.769000526683601
Energy: 1.6468996265781117
Energy: 1.769000526683601
Energy: 1.4904066930642983
Energy: 1.769000526683601
Energy: 1.3868034374539038
Energy: 1.5273124994588745
Energy: 1.1973637306700684
Energy: 1.5273124994588745
Energy: 1.3868034374539038
Energy: 1.5273124994588745
Energy: 1.1994972359279328
Energy: 1.4008461877118672
Energy: 1.1972259176674804
Energy: 1.4008461877118672
Energy: 1.1994972359279328
Energy: 1.4008461877109544
Energy: 1.2106303925451634
Energy: 1.2121245979398163
Energy: 1.1975553433436619
Energy: 1.2121245979398163
Energy: 1.2106303925451634
Energy: 1.2121245979398163
Energy: 1.4048944701008075
Energy: 1.3875779889745996
Energy: 1.2105744462287138
Energy: 1.3875779889745996
Energy: 1.4048944701008075
Energy: 1.3875779889745996
Energy: 1.2413496729989302
Energy: 1.4242816366974813
Energy: 1.4024737966561602
Energy: 1.4242816366974813
Energy: 1.2413496729989302
Energy: 1.4242816366974813
Energy: 1.2107702742449558
Energy: 1.4985701631827213
Energy: 1.2404704136386546
Energy: 1.4985701631836343
Energy: 1.2107702742449558
Energy: 1.4985701631827213
Energy: 1.200280397558324
Energy: 1.2110100643388595
Energy: 1.2000499665899915
Energy: 1.2110100643397723
Energy: 1.200280397558324
Energy: 1.2110100643397723
Energy: 1.3192224653596252
Energy: 1.283002663142043
Energy: 1.1975234912826809
Energy: 1.283002663142043
Energy: 1.3192224653596252
Energy: 1.283002663142043
Energy: 1.197128296801123
Energy: 1.5275667951191865
Energy: 1.2113596475820272
Energy: 1.5275667951191865
Energy: 1.197128296801123
Energy: 1.5275667951191865
Energy: 1.4094290793807005
Energy: 1.528163780499429
Energy: 1.2427247718380035
Energy: 1.528163780499429
Energy: 1.4094290793807005
Energy: 1.528163780499429
Energy: 1.1972605062852577
Energy: 1.2949266088334477
Energy: 1.4428450014045449
Energy: 1.2949266088343607
Energy: 1.1972605062852577
Energy: 1.2949266088343607
Energy: 1.1984359554390414
Energy: 1.3885305788287154
Energy: 1.3008295539785153
Energy: 1.3885305788287154
Energy: 1.1984359554390414
Energy: 1.3885305788278026
Energy: 1.2109398453352713
Energy: 1.329200311709205
Energy: 1.2135051450998684
Energy: 1.329200311710118
Energy: 1.2109398453352713
Energy: 1.329200311709205
Energy: 1.198155199619374
Energy: 1.3562293613169134
Energy: 1.1971091075276663
Energy: 1.3562293613169134
Energy: 1.198155199619374
Energy: 1.3562293613169134
Energy: 1.5615849791427323
Energy: 1.4987463824428264
Energy: 1.2402586220654073
Energy: 1.498746382443739
Energy: 1.5615849791427323
Energy: 1.4987463824428264
Energy: 1.2403508260294818
Energy: 1.4986891825955022
Energy: 1.1972404213789187
Energy: 1.4986891825945894
Energy: 1.2403508260294818
Energy: 1.4986891825945894
Energy: 1.4027215151886614
Energy: 1.3563123645628228
Energy: 1.197426717066161
Energy: 1.3563123645628228
Energy: 1.4027215151886614
Energy: 1.3563123645628228
Energy: 1.2107669180260112
Energy: 1.3867381412980366
Energy: 1.2115566570506169
Energy: 1.3867381412980366
Energy: 1.2107669180260112
Energy: 1.3867381412980366
Energy: 1.1971968009342635
Energy: 1.3979238888618777
Energy: 1.1976908304497844
Energy: 1.3979238888618777
Energy: 1.1971968009342635
Energy: 1.3979238888618777
Energy: 1.2406928475005365
Energy: 1.2941260605176856
Energy: 1.1988323241902825
Energy: 1.2941260605176856
Energy: 1.240692847499624
Energy: 1.2941260605176856
Energy: 1.2402354412106074
Energy: 1.5304761604179105
Energy: 1.3166907004812427
Energy: 1.5304761604169976
Energy: 1.2402354412096945
Energy: 1.5304761604179105
Energy: 1.2124074327498473
Energy: 1.5274529401030117
Energy: 1.2383033365726912
Energy: 1.5274529401030117
Energy: 1.2124074327498473
Energy: 1.5274529401030117
Energy: 1.1978109386455449
Energy: 1.283644717018726
Energy: 1.3189957555431389
Energy: 1.283644717018726
Energy: 1.1978109386455449
Energy: 1.283644717018726
Energy: 1.1974437624552379
Energy: 1.2110555839544297
Energy: 1.199301993728073
Energy: 1.2110555839544297
Energy: 1.1974437624552379
Energy: 1.2110555839544297
Energy: 1.2404187504832487
Energy: 1.395262677630132
Energy: 1.2107240926029936
Energy: 1.395262677630132
Energy: 1.2404187504832487
Energy: 1.395262677631045
Energy: 1.4032860909800122
Energy: 1.2954824414295283
Energy: 1.4048343019908296
Energy: 1.2954824414295283
Energy: 1.4032860909800122
Energy: 1.2954824414295283
Energy: 1.2109783317372123
Energy: 1.3951863980651202
Energy: 1.241456341631456
Energy: 1.3951863980651202
Energy: 1.2109783317372123
Energy: 1.3951863980651202
Energy: 1.2013507399789052
Energy: 1.2116493801313404
Energy: 1.2107099874858918
Energy: 1.2116493801313404
Energy: 1.2013507399789052
Energy: 1.2116493801313404
Energy: 1.1982520552714027
Energy: 1.4010774399908619
Energy: 1.2003351401316726
Energy: 1.4010774399908619
Energy: 1.1982520552714027
Energy: 1.4010774399908619
Energy: 1.197301838826236
Energy: 1.5272668869677177
Energy: 1.3869931551647237
Energy: 1.5272668869677177
Energy: 1.197301838826236
Energy: 1.5272668869677177

minimum gb energy = 1.1971091075276663 eV
minimum distance =  2.16556549211161 Angstroms
sigma value = 57


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

Energy: 1.2846066423466806
Energy: 1.3174163674157355
Energy: 1.6393728366278755
Energy: 1.3174163674157355
Energy: 1.2846066423466806
Energy: 1.3174163674157355
Energy: 1.2534495414561604
Energy: 1.3070826216466767
Energy: 1.246403161015589
Energy: 1.309294716525609
Energy: 1.2534495414561604
Energy: 1.3070826216466767
Energy: 1.2346310667037368
Energy: 1.3167464934296562
Energy: 1.248656594701689
Energy: 1.3167464934296562
Energy: 1.2346310667037368
Energy: 1.3167464934296562
Energy: 1.2472238790263892
Energy: 1.4114016089928358
Energy: 1.247187223741563
Energy: 1.4385458501106139
Energy: 1.2472238790263892
Energy: 1.3383879355795936
Energy: 1.2485964363040578
Energy: 1.3167403393103476
Energy: 1.2465040981246123
Energy: 1.3167403393103476
Energy: 1.2485964363040578
Energy: 1.3167403393103476
Energy: 1.2464058883609759
Energy: 1.3070919383581907
Energy: 1.2536469111615738
Energy: 1.3070919383581907
Energy: 1.2464058883609759
Energy: 1.3070919383581907
Energy: 1.5444201098079424
Energy: 1.3174163674157355
Energy: 1.2846066423466806
Energy: 1.3174163674157355
Energy: 1.5444201098079424
Energy: 1.3174163674157355
Energy: 1.246403161015589
Energy: 1.3070826216466767
Energy: 1.2534495414561604
Energy: 1.3070826216466767
Energy: 1.246403161015589
Energy: 1.4403694938588596
Energy: 1.248656594701689
Energy: 1.3167464934312805
Energy: 1.2346310667037368
Energy: 1.3167464934312805
Energy: 1.248656594701689
Energy: 1.3167464934312805
Energy: 1.2471872237399386
Energy: 1.3383879355909276
Energy: 1.2472238790263892
Energy: 1.338387935600674
Energy: 1.2471872237399386
Energy: 1.4617357317847381
Energy: 1.2465040981246123
Energy: 1.3167403393103476
Energy: 1.2485964363024333
Energy: 1.3167403393103476
Energy: 1.2465040981246123
Energy: 1.3167403393103476
Energy: 1.2536469111615738
Energy: 1.3070919383581907
Energy: 1.2464058883609759
Energy: 1.3070919383581907
Energy: 1.2536469111615738
Energy: 1.3070919383581907
Energy: 1.2846066423466806
Energy: 1.3174163674157355
Energy: 1.5444201098079424
Energy: 1.3174163674157355
Energy: 1.2846066423466806
Energy: 1.3174163674157355
Energy: 1.2534495414561604
Energy: 1.3070826216466767
Energy: 1.2464031610139645
Energy: 1.3070826216466767
Energy: 1.2534495414561604
Energy: 1.3070826216466767
Energy: 1.2346310667021123
Energy: 1.3167464934296562
Energy: 1.248656594701689
Energy: 1.3167464934312805
Energy: 1.2346310667021123
Energy: 1.3167464934296562
Energy: 1.2472238790263892
Energy: 1.3383879356104205
Energy: 1.247187223741563
Energy: 1.3383879356136692
Energy: 1.2472238790263892
Energy: 1.3383879356152937
Energy: 1.2485964363040578
Energy: 1.3167403393103476
Energy: 1.2465040981246123
Energy: 1.3167403393103476
Energy: 1.2485964363024333
Energy: 1.3167403393103476

minimum gb energy = 1.2346310667021123 eV
minimum distance =  2.24122252649992 Angstroms
sigma value = 9


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

Energy: 1.4616231383655143
Energy: 1.400571637595966
Energy: 1.5327452843923017
Energy: 1.400571637595966
Energy: 1.4616231383655143
Energy: 1.400571637595966
Energy: 1.3295103765396392
Energy: 1.3936573923675206
Energy: 1.254843785830527
Energy: 1.3936573923675206
Energy: 1.3295103765396392
Energy: 1.3936573923661941
Energy: 1.264764938962437
Energy: 1.3913510690624258
Energy: 1.2575219671028848
Energy: 1.3913510690650783
Energy: 1.264764938962437
Energy: 1.3913510690650783
Energy: 1.2639953483956814
Energy: 1.2853004415628642
Energy: 1.330592515750222
Energy: 1.2853004415602114
Energy: 1.2639953483956814
Energy: 1.2853004415615377
Energy: 1.3284911636532661
Energy: 1.3590247391335362
Energy: 1.257621715239719
Energy: 1.3590247391348624
Energy: 1.3284911636532661
Energy: 1.3590247391348624
Energy: 1.263916552895298
Energy: 1.2655500140228488
Energy: 1.3885223779015987
Energy: 1.2655500140215223
Energy: 1.263916552895298
Energy: 1.2655500140215223
Energy: 1.2660165583578316
Energy: 1.3637007140007857
Energy: 1.2574630543466312
Energy: 1.3637007140034387
Energy: 1.2660165583578316
Energy: 1.3637007140021122
Energy: 1.3256512315947917
Energy: 1.3794262956088446
Energy: 1.2547102554568523
Energy: 1.3794262956088446
Energy: 1.3256512315947917
Energy: 1.3794262956088446
Energy: 1.3246094950562801
Energy: 1.3557678669869508
Energy: 1.3395542685443595
Energy: 1.3557678669869508
Energy: 1.3246094950576066
Energy: 1.3557678669869508
Energy: 1.3981480446090422
Energy: 1.410515148729612
Energy: 1.255043227135236
Energy: 1.4105151487309382
Energy: 1.3981480446090422
Energy: 1.4105151487309382
Energy: 1.2667989979125582
Energy: 1.3177205227151112
Energy: 1.293976545313822
Energy: 1.3177205227164372
Energy: 1.2667989979125582
Energy: 1.317720522717764
Energy: 1.2637530529069012
Energy: 1.3816034100205008
Energy: 1.3328873220170556
Energy: 1.3816034100205008
Energy: 1.2637530529069012
Energy: 1.3816034100205008
Energy: 1.2663960099165814
Energy: 1.3806278436350963
Energy: 1.2919589564502996
Energy: 1.3806278436350963
Energy: 1.2663960099165814
Energy: 1.3806278436350963
Energy: 1.2639255478227016
Energy: 1.2649889192640265
Energy: 1.3319641320205489
Energy: 1.2649889192640265
Energy: 1.2639255478227016
Energy: 1.2649889192640265
Energy: 1.397345038535192
Energy: 1.4104399419389073
Energy: 1.2733159984867162
Energy: 1.4104399419375808
Energy: 1.397345038535192
Energy: 1.4104399419375808
Energy: 1.3245850559189545
Energy: 1.3849366405856491
Energy: 1.3316665212256902
Energy: 1.3849366405856491
Energy: 1.3245850559189545
Energy: 1.3849366405856491
Energy: 1.324867333333912
Energy: 1.3857006971471713
Energy: 1.3310524847956453
Energy: 1.3857006971484975
Energy: 1.324867333333912
Energy: 1.3857006971484975
Energy: 1.4096447133198882
Energy: 1.411075461414214
Energy: 1.2550455925518655
Energy: 1.4110754614128875
Energy: 1.4096447133198882
Energy: 1.411075461414214
Energy: 1.2673494418269413
Energy: 1.26502830195188
Energy: 1.329240130843255
Energy: 1.2650283019505537
Energy: 1.2673494418269413
Energy: 1.2650283019505537
Energy: 1.2638524961819366
Energy: 1.3592506601357264
Energy: 1.2556293446657938
Energy: 1.3592506601357264
Energy: 1.2638524961819366
Energy: 1.3592506601370529
Energy: 1.2670283664125137
Energy: 1.2682514500445052
Energy: 1.3314753682945537
Energy: 1.2682514500445052
Energy: 1.2670283664125137
Energy: 1.268251450043179

minimum gb energy = 1.2547102554568523 eV
minimum distance =  2.25142699888217 Angstroms
sigma value = 27


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

Energy: 1.347526878608679
Energy: 1.4376588016492506
Energy: 1.396024445423617
Energy: 1.4376588016492506
Energy: 1.347526878608679
Energy: 1.4376588016481329
Energy: 1.2539169097571616
Energy: 1.3734666893453258
Energy: 1.2505490077277013
Energy: 1.3734666893442078
Energy: 1.2539169097571616
Energy: 1.3734666893453258
Energy: 1.2611257059740704
Energy: 1.3984733479164455
Energy: 1.2506871337558476
Energy: 1.3984733479164455
Energy: 1.2611257059740704
Energy: 1.3984733479153273
Energy: 1.2623781092621504
Energy: 1.3509857549517756
Energy: 1.3302329788353549
Energy: 1.3509857549517756
Energy: 1.2623781092621504
Energy: 1.3509857549517756
Energy: 1.2527167311459195
Energy: 1.42543738941739
Energy: 1.2512046509662968
Energy: 1.42543738941739
Energy: 1.2527167311470375
Energy: 1.42543738941739
Energy: 1.272963532714699
Energy: 1.2741668644177764
Energy: 1.264202430242403
Energy: 1.2741668644177764
Energy: 1.272963532714699
Energy: 1.2741668644188944
Energy: 1.2625878475689505
Energy: 1.3647138701378156
Energy: 1.2507685915538813
Energy: 1.3647138701378156
Energy: 1.2625878475689505
Energy: 1.3647138701378156
Energy: 1.253061622586582
Energy: 1.3181195751264139
Energy: 1.250861137030792
Energy: 1.3181195751264139
Energy: 1.253061622586582
Energy: 1.318119575127532
Energy: 1.2971770085206344
Energy: 1.3407129017309114
Energy: 1.3894375910499652
Energy: 1.3407129017309114
Energy: 1.2971770085206344
Energy: 1.3407129017320294
Energy: 1.2539577872793841
Energy: 1.3820493246483248
Energy: 1.303003264094037
Energy: 1.3820493246483248
Energy: 1.2539577872805021
Energy: 1.3820493246472068
Energy: 1.2539500400742725
Energy: 1.3821566794650675
Energy: 1.3032967614248876
Energy: 1.3821566794650675
Energy: 1.2539500400742725
Energy: 1.3821566794650675
Energy: 1.2971685386200524
Energy: 1.340732580958858
Energy: 1.3892826078618428
Energy: 1.340732580958858
Energy: 1.2971685386200524
Energy: 1.340732580958858
Energy: 1.2530671139762843
Energy: 1.3179492843031313
Energy: 1.252965271725819
Energy: 1.3179492843031313
Energy: 1.2530671139762843
Energy: 1.317949284304249
Energy: 1.2625861178801225
Energy: 1.3647230767505585
Energy: 1.2508165622392338
Energy: 1.3647230767505585
Energy: 1.2625861178801225
Energy: 1.3647230767505585
Energy: 1.272970676422212
Energy: 1.2742871627285548
Energy: 1.264202341704232
Energy: 1.2742871627285548
Energy: 1.27297067642333
Energy: 1.2742871627285548
Energy: 1.2526790110715398
Energy: 1.425437389418508
Energy: 1.2511917761379967
Energy: 1.42543738941739
Energy: 1.2526790110715398
Energy: 1.425437389418508
Energy: 1.2623807922318893
Energy: 1.3508268868810642
Energy: 1.2786446607332613
Energy: 1.350826886882182
Energy: 1.2623807922318893
Energy: 1.3508268868810642
Energy: 1.2611056688676745
Energy: 1.3982360685917599
Energy: 1.2504937444261102
Energy: 1.3982360685928779
Energy: 1.2611056688676745
Energy: 1.3982360685928779
Energy: 1.2538503260434095
Energy: 1.3744369003204795
Energy: 1.2505555256357292
Energy: 1.3744369003204795
Energy: 1.2538503260434095
Energy: 1.3744369003204795
Energy: 1.347526878608679
Energy: 1.4376588016492506
Energy: 1.3537559900308753
Energy: 1.4376588016492506
Energy: 1.347526878608679
Energy: 1.4376588016492506
Energy: 1.2539169097571616
Energy: 1.3734666893453258
Energy: 1.2505490077288193
Energy: 1.3734666893453258
Energy: 1.2539169097571616
Energy: 1.3734666893453258
Energy: 1.2611257059740704
Energy: 1.3984733479164455
Energy: 1.2506871337558476
Energy: 1.3984733479164455
Energy: 1.2611257059740704
Energy: 1.3984733479164455
Energy: 1.2623781092621504
Energy: 1.3509857549517756
Energy: 1.2720199887405796
Energy: 1.3509857549517756
Energy: 1.2623781092621504
Energy: 1.3509857549517756
Energy: 1.2527167311470375
Energy: 1.42543738941739
Energy: 1.2512046509662968
Energy: 1.425437389418508
Energy: 1.2527167311470375
Energy: 1.42543738941739
Energy: 1.272963532714699
Energy: 1.2741668644177764
Energy: 1.264202430242403
Energy: 1.2741668644188944
Energy: 1.272963532714699
Energy: 1.2741668644188944

minimum gb energy = 1.2504937444261102 eV
minimum distance =  2.24394772886448 Angstroms
sigma value = 19


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

Energy: 1.4297146024108949
Energy: 1.3645613850661442
Energy: 1.449459164115104
Energy: 1.3645613850661442
Energy: 1.4297146024108949
Energy: 1.3645613850651792
Energy: 1.2748487662716739
Energy: 1.315000460076706
Energy: 1.2010911481112656
Energy: 1.315000460076706
Energy: 1.2748487662716739
Energy: 1.315000460076706
Energy: 1.2032350901699114
Energy: 1.3663711239852085
Energy: 1.2015146268765893
Energy: 1.3663711239852085
Energy: 1.2032350901699114
Energy: 1.3663711239852085
Energy: 1.2085775732412714
Energy: 1.3839822214536495
Energy: 1.2040830115842838
Energy: 1.3839822214526842
Energy: 1.2085775732412714
Energy: 1.3839822214536495
Energy: 1.2085883650673674
Energy: 1.2037300324389102
Energy: 1.2037639400351936
Energy: 1.2037300324389102
Energy: 1.2085883650673674
Energy: 1.2037300324389102
Energy: 1.2122352651020847
Energy: 1.3096063613605542
Energy: 1.2035634779235034
Energy: 1.3096063613595892
Energy: 1.2122352651020847
Energy: 1.3096063613595892
Energy: 1.1838531475095018
Energy: 1.2474631133675158
Energy: 1.2036101187781454
Energy: 1.2474631133675158
Energy: 1.1838531475095018
Energy: 1.2474631133675158
Energy: 1.1990911146021563
Energy: 1.2043948182141297
Energy: 1.2034544671456975
Energy: 1.2043948182141297
Energy: 1.1990911146021563
Energy: 1.2043948182141297
Energy: 1.2086331135364663
Energy: 1.3194063840481527
Energy: 1.2383458810198953
Energy: 1.3194063840481527
Energy: 1.2086331135364663
Energy: 1.3194063840481527
Energy: 1.2093029865842617
Energy: 1.405434485154288
Energy: 1.2017329944687873
Energy: 1.405434485154288
Energy: 1.2093029865842617
Energy: 1.405434485153323
Energy: 1.1983189270082015
Energy: 1.3762042868712299
Energy: 1.222916397585705
Energy: 1.3762042868712299
Energy: 1.1983189270072367
Energy: 1.3762042868712299
Energy: 1.2744044131577505
Energy: 1.3499873746453293
Energy: 1.2014228113270187
Energy: 1.3499873746453293
Energy: 1.2744044131577505
Energy: 1.3499873746453293
Energy: 1.27374155703394
Energy: 1.3500682289750308
Energy: 1.2017506670434894
Energy: 1.350068228974066
Energy: 1.27374155703394
Energy: 1.350068228974066
Energy: 1.2173589006586019
Energy: 1.3900207820685981
Energy: 1.2712971078748825
Energy: 1.3900207820685981
Energy: 1.2173589006586019
Energy: 1.3900207820685981
Energy: 1.208785975344067
Energy: 1.3869413448195231
Energy: 1.2012366605506635
Energy: 1.3869413448195231
Energy: 1.208785975344067
Energy: 1.3869413448195231
Energy: 1.209318984970832
Energy: 1.3600973397289815
Energy: 1.182346819939501
Energy: 1.3600973397280165
Energy: 1.209318984970832
Energy: 1.3600973397280165
Energy: 1.2039019212632958
Energy: 1.310313030916429
Energy: 1.2096800978305688
Energy: 1.310313030918359
Energy: 1.2039019212623308
Energy: 1.310313030918359
Energy: 1.1838641305903674
Energy: 1.2471134665028518
Energy: 1.1810487464717383
Energy: 1.2471134665028518
Energy: 1.1838641305903674
Energy: 1.247113466501887
Energy: 1.209213342953817
Energy: 1.310459968311099
Energy: 1.209753406686232
Energy: 1.3104599683101337
Energy: 1.2092133429547818
Energy: 1.310459968311099
Energy: 1.2093276504001462
Energy: 1.3216249451053028
Energy: 1.1992007509401734
Energy: 1.3216249451062678
Energy: 1.2093276504001462
Energy: 1.3216249451062678
Energy: 1.208769601010196
Energy: 1.3148766502939837
Energy: 1.2051262615495346
Energy: 1.3148766502939837
Energy: 1.208769601010196
Energy: 1.3148766502939837
Energy: 1.2200462386937452
Energy: 1.381961217390562
Energy: 1.2712339087018716
Energy: 1.381961217390562
Energy: 1.2200462386947102
Energy: 1.381961217390562
Energy: 1.253742014639357
Energy: 1.3640567738992453
Energy: 1.2014762840976991
Energy: 1.3640567738992453
Energy: 1.2537420146383917
Energy: 1.3640567738992453
Energy: 1.2536842677812756
Energy: 1.2021848703348035
Energy: 1.2010238531084445
Energy: 1.2021848703348035
Energy: 1.2536842677812756
Energy: 1.2021848703348035
Energy: 1.263597805942518
Energy: 1.3812539790766631
Energy: 1.2010447108304982
Energy: 1.3812539790756981
Energy: 1.263597805942518
Energy: 1.3812539790756981
Energy: 1.2094701096232747
Energy: 1.1938450812426804
Energy: 1.2014152922138999
Energy: 1.1938450812426804
Energy: 1.2094701096232747
Energy: 1.1938450812417154
Energy: 1.208608227049304
Energy: 1.2040279279687316
Energy: 1.249797545820576
Energy: 1.2040279279677666
Energy: 1.208608227048339
Energy: 1.2040279279677666
Energy: 1.192520152848632
Energy: 1.2037601430241571
Energy: 1.2035845938030325
Energy: 1.2037601430251221
Energy: 1.192520152848632
Energy: 1.2037601430251221
Energy: 1.1838860786116219
Energy: 1.2482022335990481
Energy: 1.2035349037487773
Energy: 1.2482022335990481
Energy: 1.1838860786116219
Energy: 1.2482022335990481

minimum gb energy = 1.1810487464717383 eV
minimum distance =  2.21058121941365 Angstroms
sigma value = 101


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

Energy: 1.5049829531503627
Energy: 1.174511159931808
Energy: 1.239120603464543
Energy: 1.1745111599309597
Energy: 1.504982953151211
Energy: 1.1745111599309597
Energy: 1.160102623714556
Energy: 1.276476195947942
Energy: 1.1739919939753527
Energy: 1.276476195947942
Energy: 1.160102623714556
Energy: 1.276476195947942
Energy: 1.1433622340099823
Energy: 1.2749562867385695
Energy: 1.173790467764235
Energy: 1.2749562867385695
Energy: 1.1433622340099823
Energy: 1.2749562867377213
Energy: 1.140547624905628
Energy: 1.1503555898919555
Energy: 1.1476281048663723
Energy: 1.2410360201558466
Energy: 1.140547624905628
Energy: 1.147643831092784
Energy: 1.1409324636740774
Energy: 1.1473611207321133
Energy: 1.1472477426017358
Energy: 1.1473611207321133
Energy: 1.1409324636740774
Energy: 1.1473611207321133
Energy: 1.1444059049177968
Energy: 1.2977175506704577
Energy: 1.1407290286179315
Energy: 1.2977175506704577
Energy: 1.1444059049177968
Energy: 1.2977175506704577
Energy: 1.1420443888755816
Energy: 1.3326220778556697
Energy: 1.1364862667203313
Energy: 1.332622077854821
Energy: 1.1420443888755816
Energy: 1.3326220778556697
Energy: 1.1469405027722381
Energy: 1.3131415761460696
Energy: 1.1467153062866642
Energy: 1.334431076782685
Energy: 1.1469405027722381
Energy: 1.2431549995262285
Energy: 1.1409263997148273
Energy: 1.2972188865796002
Energy: 1.143774467802524
Energy: 1.2972188865796002
Energy: 1.1409263997148273
Energy: 1.2972188865796002
Energy: 1.1409411306445263
Energy: 1.2839946597299605
Energy: 1.1366205470662933
Energy: 1.2839946597299605
Energy: 1.140941130643678
Energy: 1.2839946597299605
Energy: 1.1931631660707347
Energy: 1.271220106529947
Energy: 1.345556366916567
Energy: 1.271220106529947
Energy: 1.1931631660707347
Energy: 1.271220106529947
Energy: 1.17403203672437
Energy: 1.277105109897364
Energy: 1.1366015451527425
Energy: 1.277105109897364
Energy: 1.1740320367252184
Energy: 1.277105109897364
Energy: 1.1737563613219217
Energy: 1.1512198582339777
Energy: 1.1411512230532608
Energy: 1.1512198582331294
Energy: 1.1737563613219217
Energy: 1.1512198582331294
Energy: 1.1476588278456108
Energy: 1.3250814647221838
Energy: 1.1585451464858671
Energy: 1.332411110398141
Energy: 1.1476588278456108
Energy: 1.3250814647213356
Energy: 1.143139118212413
Energy: 1.3194471573013786
Energy: 1.1592959211819396
Energy: 1.3194471573005302
Energy: 1.143139118212413
Energy: 1.3194471573013786
Energy: 1.1740242726062868
Energy: 1.1373879418088608
Energy: 1.1442208846515567
Energy: 1.1373879418080122
Energy: 1.1740242726054386
Energy: 1.1373879418054675
Energy: 1.1364886563994392
Energy: 1.1475864182864672
Energy: 1.140445864790524
Energy: 1.1475864182873157
Energy: 1.1364886563994392
Energy: 1.1475864182864672
Energy: 1.1468137402917924
Energy: 1.147551661248602
Energy: 1.14063455512431
Energy: 1.147551661248602
Energy: 1.1468137402909442
Energy: 1.147551661248602
Energy: 1.1617629401464407
Energy: 1.2972495646196123
Energy: 1.143009263409054
Energy: 1.2972495646196123
Energy: 1.1617629401464407
Energy: 1.2972495646196123
Energy: 1.137298037269337
Energy: 1.3349127012491049
Energy: 1.1409018719698614
Energy: 1.3349127012499535
Energy: 1.1372980372701855
Energy: 1.3349127012491049
Energy: 1.1692257968856767
Energy: 1.1463287696471434
Energy: 1.146949788358895
Energy: 1.146328769646295
Energy: 1.1692257968856767
Energy: 1.146328769646295
Energy: 1.1407163321600986
Energy: 1.2995143224018806
Energy: 1.1437111404398574
Energy: 1.2995143224018806
Energy: 1.1407163321592504
Energy: 1.299514322402729
Energy: 1.1449385340803733
Energy: 1.2819634876941755
Energy: 1.1408486965926083
Energy: 1.2819634876941755
Energy: 1.1449385340803733
Energy: 1.2819634876941755
Energy: 1.140518132416831
Energy: 1.3263047771313774
Energy: 1.1951662093054758
Energy: 1.3263047771313774
Energy: 1.140518132416831
Energy: 1.326304777130529
Energy: 1.1407541558520613
Energy: 1.3884716857634083
Energy: 1.151543989716357
Energy: 1.3884716857625599
Energy: 1.1407541558520613
Energy: 1.3884716857634083
Energy: 1.1414482409949496
Energy: 1.141903014705861
Energy: 1.1740221916578093
Energy: 1.141903014692288
Energy: 1.1414482409949496
Energy: 1.1419030146736635
Energy: 1.1603246438172292
Energy: 1.1332357343051755
Energy: 1.1320205498315887
Energy: 1.1332357343034791
Energy: 1.1603246438172292
Energy: 1.133235734302631
Energy: 1.1605060341396682
Energy: 1.3191842031429033
Energy: 1.131929990545072
Energy: 1.3191842031429033
Energy: 1.1605060341396682
Energy: 1.3191842031429033
Energy: 1.2393812317786668
Energy: 1.1410072962296647
Energy: 1.2372392785357427
Energy: 1.1410072962296647
Energy: 1.2393812317786668
Energy: 1.1410072962296647
Energy: 1.1406316558404286
Energy: 1.1419488572035392
Energy: 1.1337748978576863
Energy: 1.1419488572035392
Energy: 1.1406316558404286
Energy: 1.1419488572035392
Energy: 1.1405132126173159
Energy: 1.1584124730205712
Energy: 1.143373838765994
Energy: 1.1584124730214196
Energy: 1.1405132126173159
Energy: 1.1584124730214196
Energy: 1.1413016330519332
Energy: 1.2823521136089628
Energy: 1.1406836145045933
Energy: 1.2823521136081146
Energy: 1.1413016330519332
Energy: 1.2823521136089628
Energy: 1.1408522957925649
Energy: 1.1950324087107531
Energy: 1.1467352649409916
Energy: 1.195032408709905
Energy: 1.1408522957925649
Energy: 1.1950324087107531

minimum gb energy = 1.131929990545072 eV
minimum distance =  2.23544551860188 Angstroms
sigma value = 33


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

Energy: 0.01487344204082919
Energy: 0.0156967855234084
Energy: 1.4649840077135285
Energy: 0.015696785524113247
Energy: 0.01487344204082919
Energy: 0.0156967855234084
Energy: 0.01508761339849084
Energy: 0.6248120024241641
Energy: 0.01508761339849084
Energy: 0.6248120024248689
Energy: 0.01508761339849084
Energy: 0.6248120024241641
Energy: 1.2233118493740156
Energy: 0.0156967855234084
Energy: 0.01487344204082919
Energy: 0.0156967855234084
Energy: 1.2233118493746813
Energy: 0.0156967855234084
Energy: 0.01508761339849084
Energy: 0.6248120024241641
Energy: 0.01508761339849084
Energy: 0.6248120024248689
Energy: 0.01508761339849084
Energy: 0.6248120024248689

minimum gb energy = 0.01487344204082919 eV
minimum distance =  2.45313960099655 Angstroms
sigma value = 1