Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5192944586277033
cohesive_energy=4.450092203858591
mass=58.6934
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: 0.019986729333123725
Energy: 0.8364525809595447
Energy: 0.019986729333123725
Energy: 0.8364525809588829
Energy: 0.019986729333123725
Energy: 0.8364525809595447
Energy: 0.8364525809598756
Energy: 1.4618782941115407
Energy: 0.8364525809598756
Energy: 1.1387505487272476
Energy: 0.8364525809598756
Energy: 1.1387505487279095
Energy: 0.019986729333123725
Energy: 0.8364525809598756
Energy: 0.019986729333123725
Energy: 0.8364525809598756
Energy: 0.019986729333123725
Energy: 0.8364525809595447
Energy: 0.8364525809595447
Energy: 1.138750548714637
Energy: 0.8364525809595447
Energy: 1.1387505487259608
Energy: 0.8364525809595447
Energy: 1.138750548736329
Energy: 0.019986729333123725
Energy: 0.8364525809595447
Energy: 0.019986729333123725
Energy: 0.8364525809595447
Energy: 0.019986729333123725
Energy: 0.8364525809598756
Energy: 0.8364525809592136
Energy: 1.1387505487434249
Energy: 0.8364525809592136
Energy: 1.1387505487214387
Energy: 0.8364525809595447
Energy: 1.1387505487259608

minimum gb energy = 0.019986729333123725 eV
minimum distance =  2.34628734187816 Angstroms
sigma value = 1


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

Energy: 1.3076876786355136
Energy: 1.2452164010262528
Energy: 1.3076876786355136
Energy: 1.2452164010294389
Energy: 1.3076876786347171
Energy: 1.2452164010286424
Energy: 1.3600426827324112
Energy: 1.1587385777852521
Energy: 1.360042682730818
Energy: 1.1587385777844557
Energy: 1.3600426827316148
Energy: 1.1587385777844557
Energy: 1.2385418636170478
Energy: 1.3019270733126491
Energy: 1.2385418636170478
Energy: 1.3019270733126491
Energy: 1.2385418636154546
Energy: 1.3019270733126491
Energy: 1.402669228050966
Energy: 1.1906719334457627
Energy: 1.402669228050966
Energy: 1.1906719334457627
Energy: 1.402669228050966
Energy: 1.1906719334457627
Energy: 1.2598832686583281
Energy: 1.3623625724078647
Energy: 1.2598832686599208
Energy: 1.3623625724086614
Energy: 1.2598832686591244
Energy: 1.3623625724086614
Energy: 1.3293530738083692
Energy: 1.1999014810774737
Energy: 1.3293530738075727
Energy: 1.1999014810774737
Energy: 1.3293530738075727
Energy: 1.1999014810782702
Energy: 1.215375226064066
Energy: 1.344537071024566
Energy: 1.215375226064066
Energy: 1.344537071024566
Energy: 1.215375226064066
Energy: 1.344537071024566
Energy: 1.2262540420059578
Energy: 1.3710232373199704
Energy: 1.2262540420067543
Energy: 1.3710232373199704
Energy: 1.2262540420067543
Energy: 1.371023237320767
Energy: 1.3525279364072786
Energy: 1.2960891666838281
Energy: 1.3525279364072786
Energy: 1.2960891666838281
Energy: 1.3525279364080751
Energy: 1.2960891666838281
Energy: 1.1532704331561299
Energy: 1.3781059167655225
Energy: 1.1532704331569263
Energy: 1.3781059167655225
Energy: 1.1532704331561299
Energy: 1.3781059167655225
Energy: 1.3400080006352049
Energy: 1.17898188074981
Energy: 1.3400080006367978
Energy: 1.17898188074981
Energy: 1.3400080006352049
Energy: 1.1789818807490136
Energy: 1.1046259824546985
Energy: 1.3350667579343622
Energy: 1.104625982455495
Energy: 1.3350667579343622
Energy: 1.1046259824546985
Energy: 1.3350667579335658
Energy: 1.4235949908198362
Energy: 1.0995395772667445
Energy: 1.4235949908214292
Energy: 1.0995395772667445
Energy: 1.4235949908214292
Energy: 1.0995395772659478
Energy: 1.1884284261879416
Energy: 1.2500108247097366
Energy: 1.1884284261895348
Energy: 1.25001082470894
Energy: 1.1884284261879416
Energy: 1.2500108247097366
Energy: 1.4222091765999507
Energy: 1.1625525500944283
Energy: 1.4222091765983575
Energy: 1.1625525500944283
Energy: 1.4222091765983575
Energy: 1.1625525500944283
Energy: 1.4159993989041353
Energy: 1.3052702233358415
Energy: 1.4159993989049318
Energy: 1.305270223336638
Energy: 1.4159993989057285
Energy: 1.305270223336638
Energy: 1.3268961495883833
Energy: 1.2487096458834532
Energy: 1.3268961495891798
Energy: 1.2487096458834532
Energy: 1.3268961495891798
Energy: 1.2487096458826565
Energy: 1.3328067417297984
Energy: 1.2084131747536575
Energy: 1.3328067417313916
Energy: 1.2084131747536575
Energy: 1.332806741729002
Energy: 1.2084131747536575
Energy: 1.2560513315222597
Energy: 1.2057204902174006
Energy: 1.2560513315214632
Energy: 1.2057204902166039
Energy: 1.2560513315214632
Energy: 1.2057204902142142
Energy: 1.2984933972363073
Energy: 1.199640109586462
Energy: 1.2984933972363073
Energy: 1.199640109586462
Energy: 1.2984933972363073
Energy: 1.199640109586462
Energy: 1.1607060449181252
Energy: 1.5239510780125916
Energy: 1.1607060449197184
Energy: 1.5239510780125916
Energy: 1.160706044918922
Energy: 1.523951078013388
Energy: 1.3287102055870599
Energy: 1.2938531014675614
Energy: 1.3287102055886528
Energy: 1.293853101468358
Energy: 1.3287102055878564
Energy: 1.2938531014675614
Energy: 1.1467629114252857
Energy: 1.3573010385801398
Energy: 1.1467629114252857
Energy: 1.3573010385801398
Energy: 1.1467629114244895
Energy: 1.3573010385809363

minimum gb energy = 1.0995395772659478 eV
minimum distance =  2.25756146140308 Angstroms
sigma value = 33


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

Energy: 1.3765115866116473
Energy: 1.3547892890148836
Energy: 1.3250336758583292
Energy: 1.354789289010353
Energy: 1.3765115866066637
Energy: 1.3547892890099
Energy: 1.3318446309387348
Energy: 1.2385843020691916
Energy: 1.3318446309405472
Energy: 1.238584302073722
Energy: 1.3318446309364695
Energy: 1.238584302073722
Energy: 1.1297085730772172
Energy: 1.2143573408961852
Energy: 1.129708573075405
Energy: 1.2143573408930137
Energy: 1.129708573074499
Energy: 1.2143573408925608
Energy: 1.4124393960769441
Energy: 1.3686168474300173
Energy: 1.4124393960710544
Energy: 1.3686168474395313
Energy: 1.4124393960728665
Energy: 1.3686168474395313
Energy: 1.2489674146291794
Energy: 1.2418167139408123
Energy: 1.2489674146318976
Energy: 1.2418167139412652
Energy: 1.2489674146373344
Energy: 1.2418167139412652
Energy: 1.2489870325690007
Energy: 1.1310117852636261
Energy: 1.2489870325708128
Energy: 1.1310117852640789
Energy: 1.2489870325671886
Energy: 1.1310117852636261
Energy: 1.356375007139475
Energy: 1.3422290035578541
Energy: 1.3563750071390215
Energy: 1.3422290035551359
Energy: 1.3563750071385687
Energy: 1.3422290035555888
Energy: 1.1076337142430992
Energy: 1.386926408201648
Energy: 1.1076337142376629
Energy: 1.3869264082030068
Energy: 1.107633714239475
Energy: 1.38692640820346
Energy: 1.1863823217867306
Energy: 1.133475941299838
Energy: 1.1863823217880898
Energy: 1.1334759412962137
Energy: 1.1863823217849185
Energy: 1.1334759412966666
Energy: 1.1691599631612075
Energy: 1.4156555994063498
Energy: 1.1691622357121483
Energy: 1.4156555994077091
Energy: 1.1691599631616607
Energy: 1.4156555994077091
Energy: 1.4402022690291383
Energy: 1.1489394336868897
Energy: 1.4402022690286855
Energy: 1.1489394336846244
Energy: 1.4402022690300447
Energy: 1.1489394336850773
Energy: 1.1295314529794138
Energy: 1.215642767832173
Energy: 1.1295333483405838
Energy: 1.2156427678357975
Energy: 1.1295314529875686
Energy: 1.2156427678353445
Energy: 1.342596554071242
Energy: 1.1406855961146178
Energy: 1.3425965540689766
Energy: 1.1406855961128055
Energy: 1.342596554071242
Energy: 1.1406855961128055
Energy: 1.3448570669326187
Energy: 1.3569407761091612
Energy: 1.3448570669385085
Energy: 1.3569407761109733
Energy: 1.3448570669398678
Energy: 1.3569407761114265
Energy: 1.3022011933065163
Energy: 1.2372052877017004
Energy: 1.3022011933078754
Energy: 1.2372052876958106
Energy: 1.3022011933078754
Energy: 1.2372052876958106
Energy: 1.1301694153813344
Energy: 1.2214594307016144
Energy: 1.1301694153845057
Energy: 1.2214594306966307
Energy: 1.1301694153876771
Energy: 1.2214594306970838
Energy: 1.4154044620033823
Energy: 1.3744140542279664
Energy: 1.4154044620042885
Energy: 1.3744140542261543
Energy: 1.4154044620051944
Energy: 1.3744140542261543
Energy: 1.2462829100149402
Energy: 1.1303143931864081
Energy: 1.246282910013128
Energy: 1.1303143931886732
Energy: 1.2462829100162993
Energy: 1.1303143931886732
Energy: 1.2483320936920728
Energy: 1.3171236018407073
Energy: 1.2483320936966034
Energy: 1.3171236018307402
Energy: 1.2483320936956972
Energy: 1.3171236018307402
Energy: 1.3571468558144875
Energy: 1.3280757383993964
Energy: 1.3571468558194713
Energy: 1.3280757384021147
Energy: 1.357146855818112
Energy: 1.3280757384025677
Energy: 1.1222174288742555
Energy: 1.3516498825975438
Energy: 1.1222174288715372
Energy: 1.351649882597997
Energy: 1.1222174288719904
Energy: 1.351649882597997
Energy: 1.2109894844480844
Energy: 1.134006357397847
Energy: 1.2109894844462723
Energy: 1.1340063573842554
Energy: 1.2109894844444602
Energy: 1.1340063573838022
Energy: 1.1531449927924418
Energy: 1.474706513802524
Energy: 1.1531615466160292
Energy: 1.4747065138047892
Energy: 1.1531449927897235
Energy: 1.474706513804336
Energy: 1.4051667788927742
Energy: 1.246919551287086
Energy: 1.40516677888326
Energy: 1.2469195512843676
Energy: 1.4051667788868842
Energy: 1.2469195512839149
Energy: 1.1302343873818588
Energy: 1.2417289196924144
Energy: 1.130246747617571
Energy: 1.2417289196973982
Energy: 1.1302343873877485
Energy: 1.2417289196978514
Energy: 1.3936446955475867
Energy: 1.3529093504322443
Energy: 1.3448455576164355
Energy: 1.3529093504340564
Energy: 1.3936446955507582
Energy: 1.3529093504340564
Energy: 1.3875403304922447
Energy: 1.340201681833338
Energy: 1.3446960723956891
Energy: 1.340201681833338
Energy: 1.387540330495869
Energy: 1.340201681833338
Energy: 1.1294649495461282
Energy: 1.1890014641250968
Energy: 1.1294649495470341
Energy: 1.1890014641228317
Energy: 1.1294649495497526
Energy: 1.1890014641228317
Energy: 1.4094877532807006
Energy: 1.2143985614151824
Energy: 1.409487753284325
Energy: 1.2143985614147292
Energy: 1.409487753283872
Energy: 1.2143985614147292
Energy: 1.14566777162026
Energy: 1.4616337832340762
Energy: 1.1456677716242962
Energy: 1.4616337832309048
Energy: 1.1456677716310917
Energy: 1.4616337832309048
Energy: 1.2459022733335043
Energy: 1.1338608191252564
Energy: 1.2459022733353164
Energy: 1.13386081911982
Energy: 1.2459022733366756
Energy: 1.13386081911982
Energy: 1.1493881445794099
Energy: 1.3063527057798123
Energy: 1.1493881445852996
Energy: 1.3063527057671271
Energy: 1.149388144588924
Energy: 1.3063527057671271
Energy: 1.3556369735123825
Energy: 1.3280501595866303
Energy: 1.3556369735187253
Energy: 1.3280501595879894
Energy: 1.3556369735141947
Energy: 1.3280501595875362
Energy: 1.2336387020039505
Energy: 1.2998275756306419
Energy: 1.2336387020044035
Energy: 1.2998275756306419
Energy: 1.2336387020034976
Energy: 1.2998275756306419
Energy: 1.2132857927802245
Energy: 1.1307240739279316
Energy: 1.213285792783849
Energy: 1.1307240739256665
Energy: 1.2132857927888325
Energy: 1.1307240739256665
Energy: 1.373046619069621
Energy: 1.414915905763554
Energy: 1.3730466190741515
Energy: 1.414915905763554
Energy: 1.3730466190732453
Energy: 1.414915905763554
Energy: 1.1311499189186889
Energy: 1.258005373133756
Energy: 1.1311667963769982
Energy: 1.2580053731274132
Energy: 1.1311499189127994
Energy: 1.2580053731269603
Energy: 1.2801120669876425
Energy: 1.2547677723285675
Energy: 1.2801120669899075
Energy: 1.2547677723303796
Energy: 1.2801120669971564
Energy: 1.2547677723303796
Energy: 1.3449924371525466
Energy: 1.3564362799781127
Energy: 1.344992437156624
Energy: 1.356436279980378
Energy: 1.344992437156624
Energy: 1.356436279981737
Energy: 1.3855297004041587
Energy: 1.1069475853626962
Energy: 1.3855297004046117
Energy: 1.106947585359072
Energy: 1.385529700405065
Energy: 1.106947585359072
Energy: 1.1295822027282048
Energy: 1.187910606600113
Energy: 1.1295822027286577
Energy: 1.1879106065937703
Energy: 1.1295822027331883
Energy: 1.1879106065937703

minimum gb energy = 1.106947585359072 eV
minimum distance =  2.31640889606823 Angstroms
sigma value = 51


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

Energy: 1.2627174646857127
Energy: 1.2576044729219842
Energy: 1.2627174646857127
Energy: 1.2576044729219842
Energy: 1.2627174646857127
Energy: 1.2576044729219842
Energy: 1.3206364581258128
Energy: 1.2289992610267864
Energy: 1.3206364581258128
Energy: 1.2289992610267864
Energy: 1.3206364581258128
Energy: 1.2289992610267864
Energy: 1.2383125909177501
Energy: 1.4412683694156467
Energy: 1.2383125909156985
Energy: 1.4412683694156467
Energy: 1.2383125909177501
Energy: 1.4412683694156467
Energy: 1.2646689501260104
Energy: 1.130615991354234
Energy: 1.2646689501270603
Energy: 1.1306159913531844
Energy: 1.2646689501260104
Energy: 1.1306159913552838
Energy: 1.298081394327856
Energy: 1.2401583750250516
Energy: 1.2980813943268061
Energy: 1.2401583750250516
Energy: 1.298081394327856
Energy: 1.2401583750250516
Energy: 1.2990649855066438
Energy: 1.2394659324416852
Energy: 1.2990649855066438
Energy: 1.2394659324406356
Energy: 1.2990649855066438
Energy: 1.2394659324406356
Energy: 1.263195440501465
Energy: 1.239555003331539
Energy: 1.263195440501465
Energy: 1.239555003331539
Energy: 1.2631954405004149
Energy: 1.239555003331539
Energy: 1.2191554310841222
Energy: 1.2406365474386185
Energy: 1.219155431085172
Energy: 1.240636547437569
Energy: 1.2191554310830726
Energy: 1.2406365474386185
Energy: 1.448550911475194
Energy: 1.129573756617315
Energy: 1.4485509114741444
Energy: 1.1295737566183648
Energy: 1.448550911475194
Energy: 1.129573756617315
Energy: 1.131098975482881
Energy: 1.4390607139808462
Energy: 1.131098975483931
Energy: 1.4390607139808462
Energy: 1.131098975483931
Energy: 1.4390607139808462
Energy: 1.2853046930713183
Energy: 1.1584757321701211
Energy: 1.285304693072368
Energy: 1.1584757321701211
Energy: 1.2853046930713183
Energy: 1.1584757321701211
Energy: 1.2649038391238465
Energy: 1.2600184832984018
Energy: 1.2649038391238465
Energy: 1.2600184832984018
Energy: 1.2649038391238465
Energy: 1.2600184832984018
Energy: 1.3216393663950612
Energy: 1.2140279932254872
Energy: 1.3216393663940114
Energy: 1.2140279932254872
Energy: 1.3216393663940114
Energy: 1.2140279932254872
Energy: 1.2801570865355376
Energy: 1.2058289421360673
Energy: 1.2801570865355376
Energy: 1.2058289421360673
Energy: 1.2801570865355376
Energy: 1.2058289421360673
Energy: 1.2594949355986687
Energy: 1.2596542423747932
Energy: 1.2594949355986687
Energy: 1.259654242375843
Energy: 1.2594949355986687
Energy: 1.2596542423747932
Energy: 1.2995876317905128
Energy: 1.2393208043363215
Energy: 1.2995876317905128
Energy: 1.2393208043363215
Energy: 1.2995876317905128
Energy: 1.2393208043363215
Energy: 1.299895921945903
Energy: 1.3699816515480483
Energy: 1.2998959219448531
Energy: 1.3699816515480483
Energy: 1.299895921945903
Energy: 1.3699816515480483
Energy: 1.259759797463677
Energy: 1.2471598896735843
Energy: 1.259759797463677
Energy: 1.2471598896735843
Energy: 1.2597597974626273
Energy: 1.2471598896735843

minimum gb energy = 1.129573756617315 eV
minimum distance =  2.25954281406696 Angstroms
sigma value = 19


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

Energy: 1.02431314969479
Energy: 1.087050316173851
Energy: 1.0243131496941673
Energy: 1.0870503161744738
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.1182309275370308
Energy: 1.0774398953558273
Energy: 1.1182309275370308
Energy: 1.07743989535645
Energy: 1.1182309275370308
Energy: 1.07743989535645
Energy: 1.1108132148728693
Energy: 1.3641133873976687
Energy: 1.110813214873492
Energy: 1.3641133873970461
Energy: 1.1108132148741148
Energy: 1.3641133873976687
Energy: 1.0793536957725867
Energy: 1.1142905220000647
Energy: 1.0793536957725867
Energy: 1.1142905220000647
Energy: 1.0793536957725867
Energy: 1.1142905220000647
Energy: 1.043689983693642
Energy: 1.0233227066472321
Energy: 1.043689983693642
Energy: 1.0233227066459867
Energy: 1.043689983693642
Energy: 1.0233227066466095
Energy: 1.0441135269587276
Energy: 1.023320843320623
Energy: 1.044113526958105
Energy: 1.0233208433193774
Energy: 1.0441135269587276
Energy: 1.023320843320623
Energy: 1.0793496483123148
Energy: 1.1142381760914903
Energy: 1.0793496483129374
Energy: 1.1142381760914903
Energy: 1.079349648311692
Energy: 1.1142381760921132
Energy: 1.1105885136465006
Energy: 1.3641174591140914
Energy: 1.1105885136465006
Energy: 1.364117459114714
Energy: 1.1105885136465006
Energy: 1.3641174591140914
Energy: 1.1181178851378217
Energy: 1.0774485090195045
Energy: 1.1181178851371991
Energy: 1.0774485090201271
Energy: 1.1181178851365763
Energy: 1.0774485090201271
Energy: 1.0243131496941673
Energy: 1.0870503161750964
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.1182309275370308
Energy: 1.0774398953558273
Energy: 1.1182309275376534
Energy: 1.0774398953552047
Energy: 1.1182309275370308
Energy: 1.0774398953558273
Energy: 1.1108132148728693
Energy: 1.3641133873976687
Energy: 1.1108132148741148
Energy: 1.3641133873970461
Energy: 1.110813214873492
Energy: 1.3641133873970461
Energy: 1.0793536957725867
Energy: 1.1142905220000647
Energy: 1.0793536957732093
Energy: 1.1142905220006873
Energy: 1.0793536957732093
Energy: 1.1142905220000647
Energy: 1.0436899836930194
Energy: 1.0233227066472321
Energy: 1.0436899836942648
Energy: 1.0233227066466095
Energy: 1.0436899836942648
Energy: 1.0233227066472321
Energy: 1.044113526958105
Energy: 1.0233208433212455
Energy: 1.0441135269587276
Energy: 1.0233208433200003
Energy: 1.0441135269587276
Energy: 1.023320843320623
Energy: 1.079349648311692
Energy: 1.1142381760914903
Energy: 1.0793496483123148
Energy: 1.1142381760914903
Energy: 1.0793496483123148
Energy: 1.1142381760914903
Energy: 1.110588513647123
Energy: 1.364117459114714
Energy: 1.1105885136458777
Energy: 1.364117459114714
Energy: 1.1105885136465006
Energy: 1.364117459114714
Energy: 1.1181178851365763
Energy: 1.0774485090195045
Energy: 1.1181178851378217
Energy: 1.0774485090195045
Energy: 1.1181178851353308
Energy: 1.0774485090195045
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.1182309275376534
Energy: 1.0774398953552047
Energy: 1.1182309275370308
Energy: 1.0774398953558273
Energy: 1.1182309275370308
Energy: 1.0774398953558273
Energy: 1.110813214873492
Energy: 1.3641133873970461
Energy: 1.110813214873492
Energy: 1.3641133873976687
Energy: 1.110813214873492
Energy: 1.3641133873976687
Energy: 1.0793536957732093
Energy: 1.1142905220000647
Energy: 1.0793536957732093
Energy: 1.1142905220000647
Energy: 1.0793536957725867
Energy: 1.1142905220000647
Energy: 1.043689983693642
Energy: 1.0233227066472321
Energy: 1.043689983693642
Energy: 1.0233227066472321
Energy: 1.043689983693642
Energy: 1.0233227066466095
Energy: 1.044113526958105
Energy: 1.0233208433193774
Energy: 1.0441135269587276
Energy: 1.0233208433200003
Energy: 1.044113526958105
Energy: 1.0233208433200003
Energy: 1.0793496483129374
Energy: 1.1142381760914903
Energy: 1.0793496483123148
Energy: 1.1142381760914903
Energy: 1.079349648311692
Energy: 1.1142381760914903
Energy: 1.1105885136465006
Energy: 1.3641174591140914
Energy: 1.1105885136465006
Energy: 1.3641174591140914
Energy: 1.1105885136465006
Energy: 1.3641174591134688
Energy: 1.1181178851347084
Energy: 1.077448509018882
Energy: 1.1181178851378217
Energy: 1.077448509018882
Energy: 1.1181178851378217
Energy: 1.0774485090201271
Energy: 1.0243131496941673
Energy: 1.0870503161744738
Energy: 1.0243131496935447
Energy: 1.0870503161744738
Energy: 1.0243131496941673
Energy: 1.0870503161744738
Energy: 1.1182309275370308
Energy: 1.07743989535645
Energy: 1.1182309275370308
Energy: 1.0774398953570725
Energy: 1.1182309275370308
Energy: 1.0774398953576954
Energy: 1.1108132148741148
Energy: 1.3641133873976687
Energy: 1.1108132148741148
Energy: 1.3641133873970461
Energy: 1.1108132148728693
Energy: 1.3641133873976687

minimum gb energy = 1.0233208433193774 eV
minimum distance =  2.38157915432268 Angstroms
sigma value = 27


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

Energy: 1.0010895918267981
Energy: 0.972748941754694
Energy: 1.001089591825273
Energy: 0.972748941754694
Energy: 1.001089591825273
Energy: 0.972748941754694
Energy: 1.3295731911526711
Energy: 1.0275730050030434
Energy: 1.3295731911526711
Energy: 1.0275730050030434
Energy: 1.3295731911526711
Energy: 1.0275730050015182
Energy: 1.0881288981458983
Energy: 1.1541897829113192
Energy: 1.1630797094264353
Energy: 1.1541897829113192
Energy: 1.0881288981458983
Energy: 1.1541897829113192
Energy: 1.2267756385979063
Energy: 0.9607194770018193
Energy: 1.2267756385979063
Energy: 0.9607194770018193
Energy: 1.2267756385979063
Energy: 0.9607194770018193
Energy: 1.3588976283090353
Energy: 0.9603914716745324
Energy: 1.3588976283090353
Energy: 0.9603914716730073
Energy: 1.3588976283090353
Energy: 0.9603914716745324
Energy: 1.2186713451750661
Energy: 1.2938879704713675
Energy: 1.2186713451765914
Energy: 1.2938879704713675
Energy: 1.2186713451750661
Energy: 1.2938879704713675
Energy: 1.1449154716703256
Energy: 1.0280921623055705
Energy: 1.1449154716688006
Energy: 1.0280921623055705
Energy: 1.1449154716703256
Energy: 1.0280921623055705
Energy: 0.9990811854556851
Energy: 0.9739450851736605
Energy: 0.9990811854556851
Energy: 0.9739450851736605
Energy: 0.9990811854556851
Energy: 0.9739450851751857
Energy: 1.1067955278623351
Energy: 1.088310720471618
Energy: 1.1067955278638606
Energy: 1.088310720471618
Energy: 1.1067955278623351
Energy: 1.088310720471618
Energy: 1.2297661026849638
Energy: 1.1691076297066394
Energy: 1.2297661026864892
Energy: 1.1691076297066394
Energy: 1.2297661026864892
Energy: 1.1691076297066394
Energy: 1.1810215235216965
Energy: 0.9612767316024842
Energy: 1.1810215235201713
Energy: 0.9612767316024842
Energy: 1.1810215235201713
Energy: 0.9612767316024842
Energy: 1.284141012051114
Energy: 1.1096807435150622
Energy: 1.284141012051114
Energy: 1.1096807435150622
Energy: 1.284141012051114
Energy: 1.1096807435150622

minimum gb energy = 0.9603914716730073 eV
minimum distance =  2.19527728536119 Angstroms
sigma value = 9


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

Energy: 1.085856800837632
Energy: 1.0602974773083937
Energy: 1.085856800837632
Energy: 1.0602974773083937
Energy: 1.0858568008372036
Energy: 1.0602974773083937
Energy: 1.3388167829117954
Energy: 1.076672950859695
Energy: 1.3388167829135096
Energy: 1.0754051615207085
Energy: 1.3388167829126523
Energy: 1.0442284898272924
Energy: 0.9347929616382419
Energy: 1.405386970467012
Energy: 0.9347929616386703
Energy: 1.4053869704674407
Energy: 0.9347929616373849
Energy: 1.4053869704674407
Energy: 0.9136967177753772
Energy: 0.8856428955124181
Energy: 0.9136967177762343
Energy: 0.8856428955124181
Energy: 0.9136967177758057
Energy: 0.8856428955124181
Energy: 1.1095217929194157
Energy: 1.0227628149597126
Energy: 1.1095217929194157
Energy: 1.0227628149597126
Energy: 1.10952179291813
Energy: 1.022762814960141
Energy: 1.0569033725602774
Energy: 1.0815781354070846
Energy: 1.0569033725607058
Energy: 1.1192346945992153
Energy: 1.056903372559849
Energy: 1.094316486388424
Energy: 0.9521738232906397
Energy: 1.1405239260030133
Energy: 0.9521738232923538
Energy: 1.1405239260025848
Energy: 0.952173823289354
Energy: 1.1405239260025848
Energy: 0.8677674607636906
Energy: 1.1448840557933722
Energy: 0.8677674607615478
Energy: 1.1448840557933722
Energy: 0.8677674607641191
Energy: 1.1448840557933722
Energy: 1.289831391320371
Energy: 1.0229454383964482
Energy: 1.289831391322085
Energy: 1.0229454383968768
Energy: 1.2898313913212278
Energy: 1.0229454383960197
Energy: 1.0809126069526744
Energy: 0.9949591672442176
Energy: 1.0809126069543884
Energy: 0.9949591672437889
Energy: 1.0809126069526744
Energy: 0.9949591672437889
Energy: 0.9144484571558125
Energy: 0.8930462064546695
Energy: 0.9144484571600588
Energy: 0.8930462064546695
Energy: 0.9144484571553838
Energy: 0.893046206454241
Energy: 1.0172060968698948
Energy: 0.9733388305866622
Energy: 1.0172060968686092
Energy: 0.9733388305858051
Energy: 1.0172060968703234
Energy: 0.9733388305862336
Energy: 0.9843795294565855
Energy: 1.0618380391968012
Energy: 0.9843795294582995
Energy: 1.06183803919723
Energy: 0.9843795294582995
Energy: 1.0618380391959443
Energy: 1.0645340035925124
Energy: 1.1017881416684943
Energy: 1.0645340035933692
Energy: 1.1017881416680655
Energy: 1.0645340035946549
Energy: 1.1017881416684943
Energy: 0.9046354270048668
Energy: 1.1129168209590463
Energy: 0.9046354270070094
Energy: 1.1129168209590463
Energy: 0.9046354270061523
Energy: 1.1129168209590463
Energy: 0.9595277218254402
Energy: 1.0452517493280158
Energy: 0.9595277218237261
Energy: 1.0452517493280158
Energy: 0.9595277218254402
Energy: 1.0452517493280158
Energy: 1.2102182575987932
Energy: 0.8856129799665349
Energy: 1.2102182575987932
Energy: 0.8856129799669633
Energy: 1.2102182575983647
Energy: 0.8856129799665349
Energy: 0.9188860382210318
Energy: 1.0187454403694804
Energy: 0.9188860382188891
Energy: 1.0187454403694804
Energy: 0.9188860382210318
Energy: 1.018745440369909
Energy: 0.8632712854403378
Energy: 1.228118230388627
Energy: 0.8632712854381951
Energy: 1.2281182303924838
Energy: 0.8632712854386235
Energy: 1.2281182303920555
Energy: 1.4143439254136128
Energy: 1.1115446458865779
Energy: 1.4143439254123273
Energy: 1.1115446458865779
Energy: 1.41434392541447
Energy: 1.1115446458870062
Energy: 0.863218521531767
Energy: 1.2281766838309827
Energy: 0.8632185215343384
Energy: 1.2281766838309827
Energy: 0.8632185215313386
Energy: 1.228176683831411
Energy: 0.9190329328305321
Energy: 1.0187827956228805
Energy: 0.9190329328326748
Energy: 1.018782795622452
Energy: 0.9190329328305321
Energy: 1.0187827956228805
Energy: 1.2100255765995556
Energy: 0.8857012849471521
Energy: 1.210025576600841
Energy: 0.8857012849475806
Energy: 1.2100255766012695
Energy: 0.8857012849467236
Energy: 0.9595301001497061
Energy: 0.9738459411320267
Energy: 0.9595301001492775
Energy: 0.9738459411320267
Energy: 0.9595301001497061
Energy: 0.9738459411320267
Energy: 0.9046280451033148
Energy: 1.1127497826995547
Energy: 0.9046280451054576
Energy: 1.1127497826999833
Energy: 0.9046280451041718
Energy: 1.1127497826999833
Energy: 1.0653366885785054
Energy: 1.1017845629802445
Energy: 1.0653366885793625
Energy: 1.101784562980673
Energy: 1.0653366885785054
Energy: 1.101784562980673
Energy: 0.984488094330837
Energy: 1.0618037997837497
Energy: 0.9844880943295512
Energy: 1.0618037997837497
Energy: 0.9844880943312654
Energy: 1.0618037997837497
Energy: 1.017194196438751
Energy: 0.9017668364980215
Energy: 1.0171941964374653
Energy: 0.9017668364980215
Energy: 1.017194196438751
Energy: 0.9017668364984501
Energy: 0.914732604175031
Energy: 0.8933897607240728
Energy: 0.9147326041767454
Energy: 0.8933897607240728
Energy: 0.914732604175031
Energy: 0.8933897607245013
Energy: 1.0808983043114235
Energy: 1.1747349736345416
Energy: 1.0808983043114235
Energy: 1.1747349736336845
Energy: 1.0808983043105662
Energy: 1.1747349736336845
Energy: 1.289809817602933
Energy: 1.022655198745774
Energy: 1.28980981760379
Energy: 1.022655198744917
Energy: 1.2898098176046469
Energy: 1.022655198744917
Energy: 0.8677575269633259
Energy: 1.1449471675298788
Energy: 0.8677575269598975
Energy: 1.1449471675298788
Energy: 0.8677575269650402
Energy: 1.1449471675298788
Energy: 0.9523295446246915
Energy: 1.1406847313481467
Energy: 0.952329544624263
Energy: 1.140684731347718
Energy: 0.9523295446246915
Energy: 1.140684731347718
Energy: 1.0567952040200237
Energy: 1.2139444044417338
Energy: 1.0567952040208808
Energy: 1.213944404441305
Energy: 1.0567952040200237
Energy: 1.213944404441305
Energy: 1.1094650523955822
Energy: 1.0225685249383434
Energy: 1.1094650523925824
Energy: 1.0225685249383434
Energy: 1.109465052395972
Energy: 1.0225685249383434
Energy: 0.9137687467947804
Energy: 0.8856596956305349
Energy: 0.9137687467964944
Energy: 0.8856596956305349
Energy: 0.9137687467956375
Energy: 0.8856596956309635
Energy: 0.9348070062237462
Energy: 1.4053027391876254
Energy: 0.9348070062220319
Energy: 1.4053027391871968
Energy: 0.9348070062228889
Energy: 1.4053027391876254
Energy: 1.3384200324155586
Energy: 1.0783896981746437
Energy: 1.3384200324134161
Energy: 1.0783896981750722
Energy: 1.3384200324168445
Energy: 1.078389698177215
Energy: 1.0858568008354892
Energy: 1.0602974773147829
Energy: 1.0858568008350606
Energy: 1.0602974773152114
Energy: 1.0858568008354892
Energy: 1.0602974773156402
Energy: 1.3388167829126523
Energy: 1.0450654329258986
Energy: 1.3388167829139381
Energy: 1.0450654329258986
Energy: 1.3388167829096527
Energy: 1.04506543292547
Energy: 0.9347929616356708
Energy: 1.405386970466155
Energy: 0.934792961634385
Energy: 1.405386970466155
Energy: 0.9347929616356708
Energy: 1.4053869704665833
Energy: 0.9136967177779486
Energy: 0.885642895516275
Energy: 0.9136967177766627
Energy: 0.885642895516275
Energy: 0.9136967177779486
Energy: 0.8856428955158464
Energy: 1.1095217929207013
Energy: 1.0227628149605696
Energy: 1.1095217929202728
Energy: 1.0227628149605696
Energy: 1.1095217929189873
Energy: 1.022762814960141

minimum gb energy = 0.8632185215313386 eV
minimum distance =  2.29301593822803 Angstroms
sigma value = 57


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

Energy: 0.44716215289887556
Energy: 0.46027386553385197
Energy: 0.44716215289985106
Energy: 0.46027386553385197
Energy: 0.44716215289985106
Energy: 0.46027386553287636
Energy: 0.5855938351022709
Energy: 0.6534621852113104
Energy: 0.5855938351022709
Energy: 0.6534621852074083
Energy: 0.5855938351012954
Energy: 0.6534621852113104
Energy: 0.5080937787653828
Energy: 0.5719462681626615
Energy: 0.5080937787644073
Energy: 0.5719462681626615
Energy: 0.5080937787653828
Energy: 0.571946268163637
Energy: 0.4629623902406925
Energy: 0.4469244099456081
Energy: 0.462962390241668
Energy: 0.4469244099456081
Energy: 0.4629623902406925
Energy: 0.4469244099456081
Energy: 0.5879029978615158
Energy: 0.590314781078421
Energy: 0.5879029978615158
Energy: 0.590314781078421
Energy: 0.5879029978605402
Energy: 0.590314781078421
Energy: 0.4471892821528821
Energy: 0.5093703139349008
Energy: 0.4471892821528821
Energy: 0.5093703139349008
Energy: 0.4471892821528821
Energy: 0.5093703139358764
Energy: 0.44718376316322084
Energy: 0.5092945015587415
Energy: 0.4471837631622453
Energy: 0.5092945015587415
Energy: 0.4471837631622453
Energy: 0.5092945015587415
Energy: 0.5852875757070277
Energy: 0.5904471966559878
Energy: 0.5852875757080033
Energy: 0.5904471966559878
Energy: 0.5852875757080033
Energy: 0.5904471966550122
Energy: 0.462952826724014
Energy: 0.44692889979139583
Energy: 0.462952826724014
Energy: 0.44692889979139583
Energy: 0.462952826724014
Energy: 0.44692889979139583
Energy: 0.508075317518097
Energy: 0.5717126460049038
Energy: 0.5080753175190725
Energy: 0.5717126460039282
Energy: 0.508075317518097
Energy: 0.5717126460029528
Energy: 0.5889629390836385
Energy: 0.6487212820898861
Energy: 0.5889629390836385
Energy: 0.6487212820976902
Energy: 0.5889629390836385
Energy: 0.6487212820996413
Energy: 0.44716215289887556
Energy: 0.46027386553385197
Energy: 0.44716215289985106
Energy: 0.46027386553287636
Energy: 0.44716215289985106
Energy: 0.46027386553287636
Energy: 0.5855938351012954
Energy: 0.6534621852113104
Energy: 0.5855938351022709
Energy: 0.6534621852064327
Energy: 0.5855938351012954
Energy: 0.6534621852103348
Energy: 0.5080937787653828
Energy: 0.571946268163637
Energy: 0.5080937787653828
Energy: 0.5719462681646125
Energy: 0.5080937787644073
Energy: 0.571946268163637
Energy: 0.46296239024459457
Energy: 0.4469244099456081
Energy: 0.4629623902406925
Energy: 0.4469244099446326
Energy: 0.462962390241668
Energy: 0.4469244099446326
Energy: 0.5879029978615158
Energy: 0.590314781078421
Energy: 0.5879029978605402
Energy: 0.590314781078421
Energy: 0.5879029978615158
Energy: 0.590314781078421
Energy: 0.4471892821528821
Energy: 0.5093703139349008
Energy: 0.4471892821519067
Energy: 0.5093703139349008
Energy: 0.4471892821528821
Energy: 0.5093703139349008
Energy: 0.44718376316322084
Energy: 0.5092945015587415
Energy: 0.4471837631622453
Energy: 0.5092945015587415
Energy: 0.44718376316322084
Energy: 0.5092945015587415
Energy: 0.5852875757070277
Energy: 0.5904471966550122
Energy: 0.5852875757080033
Energy: 0.5904471966559878
Energy: 0.5852875757080033
Energy: 0.5904471966550122

minimum gb energy = 0.4469244099446326 eV
minimum distance =  2.39334937088727 Angstroms
sigma value = 11


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

Energy: 0.9829392990196972
Energy: 1.0301774531725858
Energy: 0.9829392990189827
Energy: 1.0301774531725858
Energy: 0.9829392990196972
Energy: 1.030177453171871
Energy: 1.1772287228450167
Energy: 1.0039736845467135
Energy: 1.1772287228507334
Energy: 1.0039736845467135
Energy: 1.1772287228478748
Energy: 1.003973684547428
Energy: 1.1282689787533204
Energy: 1.365996861632844
Energy: 1.1282689787533204
Energy: 1.365996861632844
Energy: 1.1282689787547497
Energy: 1.3659968616321292
Energy: 1.185995283332651
Energy: 0.922967898800888
Energy: 1.1859952833333656
Energy: 0.922967898800888
Energy: 1.185995283332651
Energy: 0.922967898800888
Energy: 1.0056235774988198
Energy: 0.8744441863673931
Energy: 1.0056235774995343
Energy: 0.8744441863673931
Energy: 1.0056235774995343
Energy: 0.8744441863673931
Energy: 1.0230822902443675
Energy: 1.0668341598590567
Energy: 1.0230822902407943
Energy: 1.0668341598590567
Energy: 1.023082290241509
Energy: 1.0668341598590567
Energy: 0.8358325800693394
Energy: 1.1859803949084968
Energy: 0.8358325800679102
Energy: 1.1859803949077823
Energy: 0.8358325800671955
Energy: 1.1859803949077823
Energy: 1.07332824414801
Energy: 0.8353371528853114
Energy: 1.0733282441494394
Energy: 0.8353371528845968
Energy: 1.073328244150154
Energy: 0.8353371528845968
Energy: 1.0738349889398457
Energy: 0.8386536879238249
Energy: 1.0738349889412748
Energy: 0.8386536879238249
Energy: 1.0738349889405603
Energy: 0.8386536879238249
Energy: 0.8466602428412624
Energy: 1.228586099006287
Energy: 0.846660242841977
Energy: 1.228586099006287
Energy: 0.846660242841977
Energy: 1.2285860990055724
Energy: 1.043182726698488
Energy: 1.2149330323362237
Energy: 1.043182726698488
Energy: 1.2149330323362237
Energy: 1.043182726699917
Energy: 1.2149330323362237
Energy: 1.004634612982155
Energy: 0.8797893319968867
Energy: 1.0046346129835844
Energy: 0.8797893319968867
Energy: 1.0046346129814405
Energy: 0.8797893319968867
Energy: 1.0445683723573205
Energy: 0.8871635278152594
Energy: 1.0445683723587498
Energy: 0.8871635278159741
Energy: 1.0445683723573205
Energy: 0.8871635278145449
Energy: 1.1589161227410614
Energy: 1.3210963127900548
Energy: 1.1589161227403468
Energy: 1.3210963127900548
Energy: 1.158916122739632
Energy: 1.3210963127900548
Energy: 1.1257052422303682
Energy: 1.0048920392663243
Energy: 1.1257052422275096
Energy: 1.0048920392656095
Energy: 1.1257052422289389
Energy: 1.0048920392656095
Energy: 0.9845032614244793
Energy: 1.0313133241861172
Energy: 0.9845032614223355
Energy: 1.0313133241861172
Energy: 0.9845032614230501
Energy: 1.0313133241861172
Energy: 0.9105782914940415
Energy: 1.0056797222554104
Energy: 0.9105782914947561
Energy: 1.0056797222554104
Energy: 0.9105782914933268
Energy: 1.0056797222554104
Energy: 1.2571310555369077
Energy: 1.2133041594635805
Energy: 1.2571310555376223
Energy: 1.2133041594635805
Energy: 1.2571310555383368
Energy: 1.2133041594635805
Energy: 1.1753168683732764
Energy: 0.9214853641035113
Energy: 1.1753168683747057
Energy: 0.9214853641035113
Energy: 1.1753168683725619
Energy: 0.9214853641027967
Energy: 1.0051368077818834
Energy: 0.9918834353643363
Energy: 1.005136807784027
Energy: 0.991883435365051
Energy: 1.005136807782598
Energy: 0.9918834353643363
Energy: 0.8486268105981505
Energy: 1.0696791997564679
Energy: 0.8486268106031526
Energy: 1.0696791997571824
Energy: 0.8486268105981505
Energy: 1.0696791997564679
Energy: 1.0488871952839312
Energy: 1.1449712409478046
Energy: 1.0488871952846455
Energy: 1.144971240948519
Energy: 1.0488871952839312
Energy: 1.144971240948519
Energy: 1.0762318987173816
Energy: 0.9969283775968988
Energy: 1.0762318987173816
Energy: 0.9969283775968988
Energy: 1.0762318987173816
Energy: 0.9969283775968988
Energy: 1.081755407086275
Energy: 0.9280879097518135
Energy: 1.081755407089133
Energy: 0.9280879097525282
Energy: 1.0817554070884186
Energy: 0.9280879097525282
Energy: 0.8480090504164081
Energy: 1.2262858289660719
Energy: 0.8480090504171227
Energy: 1.2262858289675012
Energy: 0.8480090504185519
Energy: 1.2262858289660719
Energy: 1.395752559818829
Energy: 1.2182940500614539
Energy: 1.395752559818829
Energy: 1.2182940500621684
Energy: 1.3957525598181142
Energy: 1.2182940500614539

minimum gb energy = 0.8353371528845968 eV
minimum distance =  2.27759501633214 Angstroms
sigma value = 41


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

Energy: 1.106621072843651
Energy: 0.9501273238914125
Energy: 1.1066210728430876
Energy: 0.9501273238908494
Energy: 1.1066210728425245
Energy: 0.9501273238908494
Energy: 1.2292557188952002
Energy: 1.1996643762580794
Energy: 1.2292557188957636
Energy: 1.1996643762580794
Energy: 1.2292557188957636
Energy: 1.1996643762580794
Energy: 1.3057453004016006
Energy: 1.5215455462429326
Energy: 1.3057453004032904
Energy: 1.521545546243496
Energy: 1.3057453004004744
Energy: 1.5215455462429326
Energy: 1.1126218240940222
Energy: 0.9365877885905725
Energy: 1.112621824095712
Energy: 0.9365877885905725
Energy: 1.1126218240940222
Energy: 0.9365877885905725
Energy: 0.9035687829637663
Energy: 0.9948598897655851
Energy: 0.9035687829648927
Energy: 0.9948598897655851
Energy: 0.9035687829632032
Energy: 0.9948598897650218
Energy: 1.1087738878411264
Energy: 1.267179641029298
Energy: 1.1087738878416895
Energy: 1.267179641029298
Energy: 1.1087738878416895
Energy: 1.267179641029298
Energy: 0.954260849337062
Energy: 1.2225260363487906
Energy: 0.954260849337062
Energy: 1.2225260363487906
Energy: 0.954260849337062
Energy: 1.2225260363487906
Energy: 0.9658214206840503
Energy: 0.938112207019587
Energy: 0.9658214206846136
Energy: 0.938112207019587
Energy: 0.9658214206846136
Energy: 0.9381122070201503
Energy: 0.945381557090779
Energy: 0.977484575441348
Energy: 0.945381557090779
Energy: 0.9774845754407847
Energy: 0.945381557090779
Energy: 0.977484575441348
Energy: 1.065775150822858
Energy: 1.3552847481708687
Energy: 1.0657751508222946
Energy: 1.3552847481708687
Energy: 1.065775150823421
Energy: 1.3552847481708687
Energy: 1.0653496058234269
Energy: 1.3420522547708633
Energy: 1.065349605822864
Energy: 1.3420522547708633
Energy: 1.0653496058245535
Energy: 1.3420522547708633
Energy: 0.9443757114889805
Energy: 1.067984566612974
Energy: 0.9443757114872908
Energy: 1.067984566612974
Energy: 0.9443757114889805
Energy: 1.067984566612974
Energy: 0.9629531713226701
Energy: 0.9381837492612247
Energy: 0.9629531713209805
Energy: 0.9381837492612247
Energy: 0.9629531713221068
Energy: 0.9381837492607126
Energy: 0.9023097318636728
Energy: 1.2368679897741677
Energy: 0.9023097318608566
Energy: 1.2368679897741677
Energy: 0.9023097318636728
Energy: 1.2368679897741677
Energy: 1.108663657071745
Energy: 1.2657440958299477
Energy: 1.1086636570711819
Energy: 1.2657440958305108
Energy: 1.1086636570706185
Energy: 1.2657440958305108
Energy: 0.9047674011939595
Energy: 1.1587967776006591
Energy: 0.9047674011933963
Energy: 1.1587967776006591
Energy: 0.9047674011945228
Energy: 1.0421219124635834
Energy: 0.9566473976599802
Energy: 0.9382355621843418
Energy: 0.956647397659417
Energy: 0.9382355621849051
Energy: 0.956647397659417
Energy: 0.9382355621849051
Energy: 1.2039484411106454
Energy: 1.5234864217405242
Energy: 1.2039484411106454
Energy: 1.5234864217405242
Energy: 1.2039484411100823
Energy: 1.5234864217405242
Energy: 1.2285894069100878
Energy: 1.1910817126677065
Energy: 1.228589406910651
Energy: 1.1910817126677065
Energy: 1.2285894069100878
Energy: 1.1910817126671434
Energy: 1.06648322537117
Energy: 1.0685720185269656
Energy: 1.0664832253689172
Energy: 1.0685720185269656
Energy: 1.0664832253700436
Energy: 1.0685720185269656
Energy: 0.9460965793575914
Energy: 1.195487940246669
Energy: 0.9460965793559019
Energy: 1.195487940246669
Energy: 0.9460965793575914
Energy: 1.195487940246669
Energy: 1.40269100864997
Energy: 1.5274390680171501
Energy: 1.402691008650533
Energy: 1.5274390680171501
Energy: 1.4026910086510964
Energy: 1.5274390680171501
Energy: 1.1091396457256173
Energy: 0.9365303514394305
Energy: 1.1091396457261804
Energy: 0.9365303514394305
Energy: 1.1091396457256173
Energy: 0.9365303514394305
Energy: 0.9044546530379264
Energy: 1.1229362481622676
Energy: 0.9044546530401794
Energy: 1.1229362481622676
Energy: 0.9044546530379264
Energy: 1.1229362481622676
Energy: 0.9021251272218819
Energy: 1.266577382619423
Energy: 0.902125127222445
Energy: 1.266577382619423
Energy: 0.9021251272218819
Energy: 1.266577382619423
Energy: 0.9512095072325878
Energy: 1.3243805430292588
Energy: 0.9512095072320246
Energy: 1.3243805430286955
Energy: 0.9512095072331509
Energy: 1.3243805430292588
Energy: 0.9626942061547739
Energy: 0.9367919292786663
Energy: 0.9626942061542106
Energy: 0.9367919292792295
Energy: 0.9626942061542106
Energy: 0.9367919292792295
Energy: 0.9467697474163268
Energy: 1.0940775223472534
Energy: 0.9467697474157638
Energy: 1.0940775223472534
Energy: 0.9467697474163268
Energy: 1.0940775223472534
Energy: 1.0658416673781532
Energy: 1.2930891521794508
Energy: 1.0658416673775901
Energy: 1.2930891521794508
Energy: 1.0658416673792797
Energy: 1.2930891521794508
Energy: 1.3579943152069167
Energy: 1.200221844610504
Energy: 1.3579943152080431
Energy: 1.200221844610504
Energy: 1.3579943152063536
Energy: 1.200221844610504
Energy: 0.9443836434600367
Energy: 1.0511582340774979
Energy: 0.9443836434605999
Energy: 1.0511582340774979
Energy: 0.9443836434600367
Energy: 1.0511582340774979
Energy: 0.9575242833211426
Energy: 0.9398563708176444
Energy: 0.9575242833228321
Energy: 0.9398563708176444
Energy: 0.9575242833211426
Energy: 0.9398563708176444
Energy: 0.9025885520207161
Energy: 1.1290687193751139
Energy: 0.9025885520190264
Energy: 1.1290687193751139
Energy: 0.9025885520195898
Energy: 1.1290687193751139

minimum gb energy = 0.9021251272218819 eV
minimum distance =  2.27537434586988 Angstroms
sigma value = 33


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

Energy: 1.0400262691666966
Energy: 0.9757062895806579
Energy: 1.0400262691659061
Energy: 0.9757062895810171
Energy: 1.0400262691659061
Energy: 0.9757062895825983
Energy: 1.3400028325262159
Energy: 0.9663736421931988
Energy: 1.340002832527797
Energy: 0.9663736421939894
Energy: 1.340002832526647
Energy: 0.966373642193558
Energy: 1.340675418717486
Energy: 1.460971569315127
Energy: 1.340675418727332
Energy: 1.4609715693344594
Energy: 1.3406754187198577
Energy: 1.4609715693154863
Energy: 1.2334825953826756
Energy: 0.9737983956566485
Energy: 1.233482595381885
Energy: 0.9737983956660631
Energy: 1.2334825953831068
Energy: 0.9737983956392565
Energy: 0.972234489772141
Energy: 1.4212047696272816
Energy: 0.972234489775303
Energy: 1.4212047696268504
Energy: 0.9722344897745124
Energy: 1.4212047696257004
Energy: 1.3639229864991733
Energy: 1.032100926181125
Energy: 1.3639229864893272
Energy: 1.0321009261633738
Energy: 1.363922986500754
Energy: 1.032100926172429
Energy: 1.030395167384631
Energy: 1.3047117661424614
Energy: 1.030395167366808
Energy: 1.304711766143252
Energy: 1.0303951673870024
Energy: 1.3047117661396586
Energy: 1.069267975345118
Energy: 1.1136819960067583
Energy: 1.069267975338003
Energy: 1.1136819960083393
Energy: 1.0692679753411654
Energy: 1.1136819960056084
Energy: 1.3786361222363654
Energy: 1.0323762446087128
Energy: 1.3786361222383057
Energy: 1.0323762446083535
Energy: 1.3786361222367247
Energy: 1.0323762446083535
Energy: 1.4619676030790858
Energy: 1.0480864868014712
Energy: 1.461967603077864
Energy: 1.048086486801112
Energy: 1.4619676030770736
Energy: 1.0480864868003212
Energy: 1.0726768906745168
Energy: 1.070848825170808
Energy: 1.0726768906847939
Energy: 1.0708488251806536
Energy: 1.0726768906800508
Energy: 1.0708488251696582
Energy: 1.5266939952554668
Energy: 0.9738284168342083
Energy: 1.526693995255826
Energy: 0.9738284168294651
Energy: 1.526693995255826
Energy: 0.973828416830615
Energy: 1.0340963825731568
Energy: 1.3803465421295669
Energy: 1.0340963825727978
Energy: 1.3803465421299979
Energy: 1.0340963825720073
Energy: 1.3803465421303573
Energy: 1.1124340404736655
Energy: 1.0684202801586007
Energy: 1.1124340404728752
Energy: 1.068420280167297
Energy: 1.1124340404776183
Energy: 1.0684202801444431
Energy: 1.1720804636285154
Energy: 1.0202135400096481
Energy: 1.1720804636123452
Energy: 1.0202135400108698
Energy: 1.172080463630887
Energy: 1.0202135400088579
Energy: 1.0325014154049506
Energy: 1.363782157458517
Energy: 1.0325014154147965
Energy: 1.3637821574581577
Energy: 1.032501415405741
Energy: 1.3637821574589482
Energy: 1.4260910051493272
Energy: 0.9745341538180272
Energy: 1.4260910051481774
Energy: 0.9745341538180272
Energy: 1.4260910051497584
Energy: 0.9745341538180272
Energy: 0.9736583325554575
Energy: 1.0440106620881353
Energy: 0.9736583325586197
Energy: 1.0440106628952799
Energy: 0.9736583325681062
Energy: 1.0440106570968617
Energy: 1.461139032962738
Energy: 1.3399488030296078
Energy: 1.4611390329730152
Energy: 1.3399488030161686
Energy: 1.4611390329694938
Energy: 1.3399488030173905
Energy: 1.2144363536077443
Energy: 1.0335916339905247
Energy: 1.2144363536254958
Energy: 1.033591633990956
Energy: 1.214436353618812
Energy: 1.033591633990956
Energy: 0.9769699503063681
Energy: 1.0366362586260078
Energy: 0.9769699503071588
Energy: 1.036636258624427
Energy: 0.9769699503063681
Energy: 1.0366362586252174
Energy: 0.967617393688909
Energy: 1.3421698500636876
Energy: 0.9676173936896996
Energy: 1.342169850061316
Energy: 0.9676173936884779
Energy: 1.342169850061316
Energy: 1.3617789270334517
Energy: 1.211438990942887
Energy: 1.3617789270204437
Energy: 1.211438990941306
Energy: 1.3617789270275586
Energy: 1.2114389909420964
Energy: 0.9749630282996911
Energy: 1.2371627598936168
Energy: 0.9749630283004816
Energy: 1.2371627598908856
Energy: 0.9749630282984694
Energy: 1.237162759889664
Energy: 1.419162299029314
Energy: 0.9742201386725152
Energy: 1.4191622990277328
Energy: 0.974220138672084
Energy: 1.4191622990285233
Energy: 0.9742201386725152
Energy: 1.0317523479589323
Energy: 1.3622848839873831
Energy: 1.031752347954189
Energy: 1.3622848839889643
Energy: 1.0317523479518176
Energy: 1.362284884004775
Energy: 1.344690090021122
Energy: 1.0307501231265568
Energy: 1.3446900900191818
Energy: 1.0307501231205918
Energy: 1.3446900900215533
Energy: 1.0307501230976661
Energy: 1.037111156504371
Energy: 0.9812644318036311
Energy: 1.0371111564991964
Energy: 0.9812644318028405
Energy: 1.037111156491291
Energy: 0.9812644318031999
Energy: 1.0285618144881528
Energy: 1.2429518542365794
Energy: 1.0285618144877213
Energy: 1.2429518542306142
Energy: 1.0285618144869308
Energy: 1.2429518542385198
Energy: 1.0433318187151848
Energy: 1.4654811695105074
Energy: 1.0433318187365295
Energy: 1.4654811695093575
Energy: 1.0433318187246712
Energy: 1.4654811695093575
Energy: 1.0729963282843469
Energy: 0.9727124635827288
Energy: 1.0729963282878683
Energy: 0.9727124635977491
Energy: 1.0729963282792443
Energy: 0.9727124635898436
Energy: 0.9748016772800066
Energy: 1.5310396402527342
Energy: 0.9748016772800066
Energy: 1.5310396402527342
Energy: 0.9748016772796473
Energy: 1.5310396402527342
Energy: 1.2342312256470005
Energy: 1.038451167929438
Energy: 1.2342312256410357
Energy: 1.038451167929438
Energy: 1.2342312256521029
Energy: 1.0384511679290067
Energy: 1.068389716448986
Energy: 1.112084562874512
Energy: 1.0683897164371277
Energy: 1.1120845628697684
Energy: 1.0683897164481955
Energy: 1.1120845628713496
Energy: 1.0683409442757625
Energy: 1.112265972787374
Energy: 1.0683409442915732
Energy: 1.112265972779828
Energy: 1.0683409442820868
Energy: 1.1122659728165525
Energy: 1.234526776069253
Energy: 1.0385057974044969
Energy: 1.2345267760660912
Energy: 1.038505797403347
Energy: 1.2345267760593353
Energy: 1.0385057974041376
Energy: 0.9747946249844426
Energy: 1.531015747181432
Energy: 0.9747946249808492
Energy: 1.531015747181432
Energy: 0.9747946249789087
Energy: 1.5310157471810009
Energy: 1.0722456180759534
Energy: 0.9727301098479414
Energy: 1.0722456180778936
Energy: 0.9727301098593683
Energy: 1.0722456180778936
Energy: 0.9727301098581465
Energy: 1.043423877804331
Energy: 1.4654951825710452
Energy: 1.043423877796785
Energy: 1.465495182572267
Energy: 1.043423877792473
Energy: 1.465495182570255
Energy: 1.0281222295993988
Energy: 1.2416998624667843
Energy: 1.0281222295989678
Energy: 1.2416998624762707
Energy: 1.0281222296005486
Energy: 1.2416998624778515
Energy: 1.035115889450216
Energy: 0.9812825981238179
Energy: 1.0351158894253496
Energy: 0.9812825981230274
Energy: 1.0351158894454724
Energy: 0.9812825981230274
Energy: 1.344784323047325
Energy: 1.0316975919973355
Energy: 1.3447843230492655
Energy: 1.0316975920027975
Energy: 1.3447843230512777
Energy: 1.0316975919989166
Energy: 1.0319389914824793
Energy: 1.3622285081584018
Energy: 1.0319389914900252
Energy: 1.3622285081425909
Energy: 1.0319389914746455
Energy: 1.3622285081512868
Energy: 1.4192281965556117
Energy: 0.974218502397193
Energy: 1.4192281965576239
Energy: 0.9742185023964024
Energy: 1.4192281965560427
Energy: 0.9742185023967617
Energy: 0.9749679753069495
Energy: 1.2370146621868978
Energy: 0.9749679753065901
Energy: 1.2370146621857478
Energy: 0.97496797530774
Energy: 1.2370146621853166
Energy: 1.361764490559966
Energy: 1.238863228393245
Energy: 1.3617644905690212
Energy: 1.2388632283943952
Energy: 1.361764490563128
Energy: 1.2388632283939638
Energy: 0.9670635467934884
Energy: 1.3421774046374264
Energy: 0.9670635467919072
Energy: 1.3421774046346955
Energy: 0.9670635467899668
Energy: 1.3421774046342643

minimum gb energy = 0.9663736421931988 eV
minimum distance =  2.2684822620805 Angstroms
sigma value = 67


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

Energy: 1.0232307374773297
Energy: 1.008752343145754
Energy: 1.0232307374773297
Energy: 1.008752343145754
Energy: 1.0232307374773297
Energy: 1.008752343145754
Energy: 1.009245914565122
Energy: 0.97866602900634
Energy: 1.009245914565122
Energy: 0.97866602900634
Energy: 1.009245914565122
Energy: 0.97866602900634
Energy: 1.3089499066143662
Energy: 1.5577092031657516
Energy: 1.4129590945901345
Energy: 1.5577092031657516
Energy: 1.4129590945901345
Energy: 1.5577092031657516
Energy: 1.0092281825662843
Energy: 0.9786358551139185
Energy: 1.0092281825636427
Energy: 0.9786358551139185
Energy: 1.0092281825636427
Energy: 0.9786358551139185
Energy: 1.0232307374773297
Energy: 1.008752343145754
Energy: 1.023230737474688
Energy: 1.008752343145754
Energy: 1.0232307374773297
Energy: 1.008752343145754
Energy: 1.0092459145624804
Energy: 0.9786660290089817
Energy: 1.0092459145624804
Energy: 0.9786660290089817
Energy: 1.0092459145624804
Energy: 0.9786660290089817
Energy: 1.0080087306914902
Energy: 1.5577092031657516
Energy: 1.0080087306914902
Energy: 1.5577092031657516
Energy: 1.0080087306914902
Energy: 1.5577092031657516

minimum gb energy = 0.9786358551139185 eV
minimum distance =  2.41088542896312 Angstroms
sigma value = 3


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

Energy: 1.3565400233567062
Energy: 1.1933804156767738
Energy: 1.3221885788097423
Energy: 1.1933804156767738
Energy: 1.3565400233495164
Energy: 1.1933804156767738
Energy: 1.3557049846076683
Energy: 1.2810888000222045
Energy: 1.355704984614858
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Energy: 1.4216875980100905
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Energy: 1.221267123093509
Energy: 1.3323065678805956
Energy: 1.221267123093509
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Energy: 1.221267123093509
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Energy: 1.2533403884952545
Energy: 1.3049115860584548
Energy: 1.2533348001924642
Energy: 1.304911586051265
Energy: 1.253340388473685
Energy: 1.30491158605486
Energy: 1.4850045460634473
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Energy: 1.4850045460634473
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Energy: 1.4850045460562573
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Energy: 1.2669461970056928
Energy: 1.4492561384007658
Energy: 1.2669461970020977
Energy: 1.4492561384115505
Energy: 1.2669461970128824
Energy: 1.4492561384115505
Energy: 1.258169285410382
Energy: 1.2715447400356994
Energy: 1.2581692854067874
Energy: 1.2715447400392943
Energy: 1.2581692854067874
Energy: 1.2715447400392943
Energy: 1.3256668476191358
Energy: 1.1960547434298479
Energy: 1.3256668476191358
Energy: 1.1960547434262527
Energy: 1.3256668476227305
Energy: 1.1960547434262527
Energy: 1.4496866578784802
Energy: 1.2434591863047413
Energy: 1.4496866578820753
Energy: 1.243459186311931
Energy: 1.4496866578748853
Energy: 1.243459186311931
Energy: 1.250188305130606
Energy: 1.415990753264133
Energy: 1.2501895838580994
Energy: 1.4159907532677278
Energy: 1.2501883051270113
Energy: 1.4159907532677278
Energy: 1.210443312038363
Energy: 1.2909226578766246
Energy: 1.210443312031173
Energy: 1.2909226578766246
Energy: 1.210443312038363
Energy: 1.2909226578766246
Energy: 1.2531867527773344
Energy: 1.2705043078341356
Energy: 1.2531867527737395
Energy: 1.2705043078377307
Energy: 1.2531867527593599
Energy: 1.2705043078377307
Energy: 1.3514560424012287
Energy: 1.439506426319847
Energy: 1.3514560424048236
Energy: 1.439506426327037
Energy: 1.3514560423976336
Energy: 1.439506426327037
Energy: 1.3059608194032306
Energy: 1.3280790648047232
Energy: 1.3059624734652202
Energy: 1.3280790648119132
Energy: 1.3059608193960406
Energy: 1.3280790648119132

minimum gb energy = 1.1735963331161843 eV
minimum distance =  2.1907175005464 Angstroms
sigma value = 81


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

Energy: 1.3615179334719951
Energy: 1.2551003323581378
Energy: 1.314872541519831
Energy: 1.2551003323615915
Energy: 1.3615179334685414
Energy: 1.2551003323615915
Energy: 1.2137532104105742
Energy: 1.2687879803897424
Energy: 1.2137532104100808
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Energy: 1.2137532104086002
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Energy: 1.2308300912001315
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Energy: 1.2526176435654364
Energy: 1.3948937430553539
Energy: 1.2526176435614893
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Energy: 1.4344629057085478
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Energy: 1.2769695600771689
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Energy: 1.4648798113989945
Energy: 1.3606593544963161
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Energy: 1.3606593544987833
Energy: 1.2838723845589726
Energy: 1.2427456612482295
Energy: 1.2838723845658353
Energy: 1.2427456612442824
Energy: 1.2838723845614397
Energy: 1.242745661243789
Energy: 1.2947430673394313
Energy: 1.2941679166594051
Energy: 1.294861049835516
Energy: 1.294167916660392
Energy: 1.2947430673409115
Energy: 1.294167916660392
Energy: 1.2670369761405957
Energy: 1.219440356833903
Energy: 1.2670399300115094
Energy: 1.2194403568358765
Energy: 1.2670369761386222
Energy: 1.2194403568358765
Energy: 1.3744790725973053
Energy: 1.185270288928827
Energy: 1.374479072593358
Energy: 1.1852702889322808
Energy: 1.374479072596812
Energy: 1.1852702889327742
Energy: 1.285127280589012
Energy: 1.4288839904892285
Energy: 1.2851272805939455
Energy: 1.4288839904926822
Energy: 1.2851272805934522
Energy: 1.4288839904921888
Energy: 1.1791447248685158
Energy: 1.2416859617004412
Energy: 1.179144724867529
Energy: 1.241685961701428
Energy: 1.1791447248695026
Energy: 1.2416859617019214
Energy: 1.316913732422454
Energy: 1.2537978463501607
Energy: 1.3169137324254143
Energy: 1.2537978463501607
Energy: 1.3169137324219606
Energy: 1.253797846349174
Energy: 1.3279586488995825
Energy: 1.3615297547678966
Energy: 1.3279586489005692
Energy: 1.3615297547733238
Energy: 1.3279586489050101
Energy: 1.3615297547733238
Energy: 1.2402906774405908
Energy: 1.451485417999572
Energy: 1.2402845660961006
Energy: 1.4514854179946381
Energy: 1.240290677442071
Energy: 1.4514854179946381
Energy: 1.2627919243096482
Energy: 1.2750815654550085
Energy: 1.262791924308168
Energy: 1.2750815654446472
Energy: 1.2627919243101415
Energy: 1.2750815654446472
Energy: 1.2670273324658665
Energy: 1.1511469869241737
Energy: 1.2670273324619192
Energy: 1.151146986927134
Energy: 1.2670273324569852
Energy: 1.1511469869276274
Energy: 1.3355408782864842
Energy: 1.3816750880607782
Energy: 1.3355408782914182
Energy: 1.3816750880642321
Energy: 1.3355408782904312
Energy: 1.3816750880642321

minimum gb energy = 1.1511469869241737 eV
minimum distance =  2.23917808929436 Angstroms
sigma value = 43


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

Energy: 1.3389713784815387
Energy: 1.144428642140234
Energy: 1.3389713784809325
Energy: 1.144428642140234
Energy: 1.3389713784821449
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Energy: 1.2983047116552617
Energy: 1.2093607032674163
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Energy: 1.2302150010937594
Energy: 1.207058757779307
Energy: 1.2302150010931807
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Energy: 1.2302150010937594
Energy: 1.207058757779307
Energy: 1.2557058777449448
Energy: 1.210595782968576
Energy: 1.255705877745551
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Energy: 1.2557058777449448
Energy: 1.210595782968576
Energy: 1.4323189729327253
Energy: 1.2034078830610904
Energy: 1.4323189729345434
Energy: 1.2034078830610904
Energy: 1.4323189729333314
Energy: 1.2034078830610904
Energy: 1.4525183653110272
Energy: 1.175633804357723
Energy: 1.452518365312239
Energy: 1.175633804357723
Energy: 1.452518365309815
Energy: 1.1756338043583292
Energy: 1.2521214929556725
Energy: 1.208347134033443
Energy: 1.2521214929562785
Energy: 1.208347134034049
Energy: 1.2521214929562785
Energy: 1.208347134033443
Energy: 1.2318501231539243
Energy: 1.25391548122839
Energy: 1.2318501231539243
Energy: 1.25391548122839
Energy: 1.2318501231533183
Energy: 1.25391548122839
Energy: 1.3227396890899865
Energy: 1.187879654933718
Energy: 1.3227396890899865
Energy: 1.187879654933718
Energy: 1.3227396890905927
Energy: 1.1878796549343242
Energy: 1.2073263797346583
Energy: 1.3419852605330556
Energy: 1.2073263797352642
Energy: 1.3419852605330556
Energy: 1.2073263797352642
Energy: 1.3419852605330556
Energy: 1.1913922789135383
Energy: 1.297120442622663
Energy: 1.1913922789141445
Energy: 1.297120442622057
Energy: 1.1913922789135383
Energy: 1.297120442622057
Energy: 1.2396421794110437
Energy: 1.1743203320185411
Energy: 1.2396421794098313
Energy: 1.1743203320185411
Energy: 1.2396421794110437
Energy: 1.1743203320179352
Energy: 1.3979278283950005
Energy: 1.2254541577943094
Energy: 1.3979278283950005
Energy: 1.2254541577943094
Energy: 1.3979278283937884
Energy: 1.2254541577943094
Energy: 1.2246990204949992
Energy: 1.2804348914832173
Energy: 1.224699020494393
Energy: 1.2804348914832173
Energy: 1.224699020494393
Energy: 1.2804348914832173
Energy: 1.2425647799172597
Energy: 1.1658777927951753
Energy: 1.2425647799172597
Energy: 1.1658777927951753
Energy: 1.2425647799172597
Energy: 1.1658777927951753
Energy: 1.2396892932157986
Energy: 1.205402725278545
Energy: 1.2396892932157986
Energy: 1.205402725278545
Energy: 1.2396892932157986
Energy: 1.205402725278545
Energy: 1.3663164216337003
Energy: 1.413545461713467
Energy: 1.3663164216337003
Energy: 1.413545461713467
Energy: 1.3663164216337003
Energy: 1.413545461713467
Energy: 1.195414780073642
Energy: 1.296131144509573
Energy: 1.195414780074248
Energy: 1.296131144509573
Energy: 1.195414780074248
Energy: 1.296131144509573

minimum gb energy = 1.144428642140234 eV
minimum distance =  2.2559895358258 Angstroms
sigma value = 57


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

Energy: 1.2293073634135758
Energy: 1.0993481059728551
Energy: 1.2293073634143603
Energy: 1.0993481059720704
Energy: 1.2293073634143603
Energy: 1.0993481059720704
Energy: 1.1730649323693476
Energy: 1.1233648155518139
Energy: 1.1730649323693476
Energy: 1.1233648155518139
Energy: 1.1730649323693476
Energy: 1.1233648155518139
Energy: 1.1785417074677527
Energy: 1.3190676995566788
Energy: 1.178541707466968
Energy: 1.3190676995566788
Energy: 1.178541707466968
Energy: 1.3190676995566788
Energy: 1.3129129595564921
Energy: 1.174673228995934
Energy: 1.3129129595572768
Energy: 1.1746732289967188
Energy: 1.3129129595557074
Energy: 1.174673228995934
Energy: 1.4044392578570652
Energy: 1.1791623245963947
Energy: 1.4044392578562805
Energy: 1.1791623245963947
Energy: 1.4044392578570652
Energy: 1.1791623245963947
Energy: 1.1806238669726112
Energy: 1.3039707997320846
Energy: 1.1806238669733962
Energy: 1.3039707997320846
Energy: 1.1806238669726112
Energy: 1.3039707997320846
Energy: 1.2751139905352473
Energy: 1.2554967534282782
Energy: 1.275113990536032
Energy: 1.2554967534282782
Energy: 1.2751139905352473
Energy: 1.2554967534282782
Energy: 1.2325520746502945
Energy: 1.1036798349616828
Energy: 1.2325520746510792
Energy: 1.1036798349616828
Energy: 1.2325520746510792
Energy: 1.1036798349616828
Energy: 1.2812567702093085
Energy: 1.1289841479153502
Energy: 1.2812567702100932
Energy: 1.1289841479153502
Energy: 1.2812567702093085
Energy: 1.1289841479161349
Energy: 1.0481238814168123
Energy: 1.2817060063915178
Energy: 1.0481238814160276
Energy: 1.2817060063915178
Energy: 1.0481238814175968
Energy: 1.2817060063915178
Energy: 1.2234538933174979
Energy: 1.1752634054150821
Energy: 1.2234538933174979
Energy: 1.175263405415867
Energy: 1.2234538933182826
Energy: 1.1752634054150821
Energy: 1.2900231487215847
Energy: 1.1734365239005597
Energy: 1.2900231487208
Energy: 1.1734365239005597
Energy: 1.2900231487215847
Energy: 1.1734365239013445
Energy: 1.1515768319118012
Energy: 1.1290443210411936
Energy: 1.1515768319118012
Energy: 1.129044321041978
Energy: 1.1515768319125859
Energy: 1.1290443210411936
Energy: 1.3039439724250959
Energy: 1.10507990438929
Energy: 1.3039439724243114
Energy: 1.1050799043900748
Energy: 1.3039439724250959
Energy: 1.10507990438929
Energy: 1.3407684000063775
Energy: 1.109912143313565
Energy: 1.3407684000071622
Energy: 1.1099121433143497
Energy: 1.3407684000071622
Energy: 1.109912143313565
Energy: 1.3008363726174734
Energy: 1.121884541898117
Energy: 1.3008363726159042
Energy: 1.121884541898117
Energy: 1.3008363726174734
Energy: 1.121884541898117
Energy: 1.1351141789621637
Energy: 1.1720649469081768
Energy: 1.1351141789621637
Energy: 1.1720649469081768
Energy: 1.1351141789629486
Energy: 1.1720649469081768
Energy: 1.2282686211776772
Energy: 1.1297539302780375
Energy: 1.228268621178462
Energy: 1.1297539302780375
Energy: 1.228268621178462
Energy: 1.1297539302780375
Energy: 1.1348871769529516
Energy: 1.1718195222473329
Energy: 1.1348871769537363
Energy: 1.1718195222473329
Energy: 1.1348871769537363
Energy: 1.1718195222473329
Energy: 1.3015107936598518
Energy: 1.1218738347680406
Energy: 1.3015107936598518
Energy: 1.1218738347680406
Energy: 1.3015107936606365
Energy: 1.1218738347680406
Energy: 1.3407084168157584
Energy: 1.109963377136826
Energy: 1.340708416816543
Energy: 1.109963377136826
Energy: 1.340708416816543
Energy: 1.109963377136826
Energy: 1.3039277668778624
Energy: 1.1301958085507335
Energy: 1.3039277668778624
Energy: 1.1301958085507335
Energy: 1.3039277668770777
Energy: 1.1301958085507335
Energy: 1.1516590474786685
Energy: 1.129074506679428
Energy: 1.1516590474778838
Energy: 1.1290745066786432
Energy: 1.1516590474786685
Energy: 1.129074506679428
Energy: 1.2900478032755935
Energy: 1.1734642451561512
Energy: 1.2900478032755935
Energy: 1.1734642451561512
Energy: 1.290047803276378
Energy: 1.1734642451553665

minimum gb energy = 1.0481238814160276 eV
minimum distance =  2.30890502797201 Angstroms
sigma value = 17


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

Energy: 1.2242620303808385
Energy: 1.0871482434929067
Energy: 1.2242620303808385
Energy: 1.0871482434917972
Energy: 1.2242620303808385
Energy: 1.0871482434917972
Energy: 1.0949113542741848
Energy: 1.1426911532040984
Energy: 1.0949113542741848
Energy: 1.1426911532040984
Energy: 1.0949113542741848
Energy: 1.1426911532040984
Energy: 1.134067447499634
Energy: 1.3010988113327528
Energy: 1.1340674474974144
Energy: 1.3010988113327528
Energy: 1.134067447499634
Energy: 1.3010988113327528
Energy: 1.1400067902813964
Energy: 1.1928223427970177
Energy: 1.1400067902813964
Energy: 1.1928223427970177
Energy: 1.1400067902813964
Energy: 1.1928223427970177
Energy: 1.1515029536850263
Energy: 1.1553356800163317
Energy: 1.1515029536850263
Energy: 1.155335680015222
Energy: 1.1515029536850263
Energy: 1.1553356800163317
Energy: 1.17701163502873
Energy: 1.1573890920388779
Energy: 1.1770116350298399
Energy: 1.1573890920388779
Energy: 1.1770116350298399
Energy: 1.1573890920388779
Energy: 1.2001281746832213
Energy: 1.1563745972216697
Energy: 1.2001281746832213
Energy: 1.1563745972216697
Energy: 1.2001281746832213
Energy: 1.1563745972216697
Energy: 1.1400118295804016
Energy: 1.1823407240875143
Energy: 1.1400118295804016
Energy: 1.1823407240875143
Energy: 1.1400118295804016
Energy: 1.1823407240875143
Energy: 1.0381860828468665
Energy: 1.138985436938257
Energy: 1.0381860828457568
Energy: 1.138985436938257
Energy: 1.0381860828457568
Energy: 1.138985436938257
Energy: 1.1923544920457463
Energy: 1.1058825881732095
Energy: 1.1923544920457463
Energy: 1.1058825881732095
Energy: 1.1923544920457463
Energy: 1.1058825881732095
Energy: 1.1908385436183175
Energy: 1.107634876730084
Energy: 1.1908385436183175
Energy: 1.107634876730084
Energy: 1.1908385436183175
Energy: 1.107634876730084
Energy: 1.1708636182722152
Energy: 1.1687835946723095
Energy: 1.1708636182722152
Energy: 1.1687835946723095
Energy: 1.1708636182722152
Energy: 1.1687835946723095
Energy: 1.115279390621189
Energy: 1.19711338175567
Energy: 1.115279390621189
Energy: 1.19711338175567
Energy: 1.115279390621189
Energy: 1.19711338175567
Energy: 1.0934379216538443
Energy: 1.047697690067293
Energy: 1.0934379216538443
Energy: 1.047697690067293
Energy: 1.0934379216538443
Energy: 1.0476976900684027
Energy: 1.1219544746348225
Energy: 1.18786930899467
Energy: 1.1219544746348225
Energy: 1.18786930899467
Energy: 1.1219544746348225
Energy: 1.18786930899467
Energy: 1.1777120526190623
Energy: 1.3222396440361264
Energy: 1.1777120526190623
Energy: 1.3222396440361264
Energy: 1.1777120526190623
Energy: 1.3222396440361264
Energy: 1.0933432571036044
Energy: 1.0488773736091297
Energy: 1.0933432571036044
Energy: 1.0488773736091297
Energy: 1.0933432571036044
Energy: 1.0488773736091297

minimum gb energy = 1.0381860828457568 eV
minimum distance =  2.29012255040872 Angstroms
sigma value = 17


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

Energy: 1.1764930374709366
Energy: 0.9693504062570213
Energy: 1.176493037470508
Energy: 0.969350406258307
Energy: 1.176493037469651
Energy: 0.9693504062570213
Energy: 1.05760719084348
Energy: 1.0444753714059447
Energy: 1.0576071908456228
Energy: 1.0444753714059447
Energy: 1.0576071908430518
Energy: 1.0444753714059447
Energy: 0.9812560738509082
Energy: 1.0466195082649241
Energy: 0.9812560738526225
Energy: 1.0466195082649241
Energy: 0.9812560738504797
Energy: 1.0466195082649241
Energy: 1.0916093079807399
Energy: 0.9356863774294543
Energy: 1.091609307979883
Energy: 0.9356863774294543
Energy: 1.091609307981597
Energy: 0.9356863774294543
Energy: 1.0450327382350506
Energy: 1.0442358765888462
Energy: 1.045032738235479
Energy: 1.044235876589275
Energy: 1.0450327382363365
Energy: 1.044235876589275
Energy: 0.9448052407379485
Energy: 0.9530389215652809
Energy: 0.9448052407379485
Energy: 0.9530389215657094
Energy: 0.9448052407375199
Energy: 0.9530389215652809
Energy: 1.1651341234615262
Energy: 1.0578727720142702
Energy: 1.1651341234602406
Energy: 1.0578727720142702
Energy: 1.165134123462383
Energy: 1.0578727720142702
Energy: 1.097333904068902
Energy: 1.1387264848444922
Energy: 1.0973339040697592
Energy: 1.1387264848444922
Energy: 1.0973339040697592
Energy: 1.1387264848444922
Energy: 1.0629971451487532
Energy: 1.2021725343181293
Energy: 1.0629971451483247
Energy: 1.2021725343181293
Energy: 1.0629971451483247
Energy: 1.2021725343185576
Energy: 1.060369871761115
Energy: 1.0161639229678168
Energy: 1.0603698717598293
Energy: 1.016163922967388
Energy: 1.0603698717615437
Energy: 1.0161639229678168
Energy: 1.0959115695539223
Energy: 1.1212217932396378
Energy: 1.0959115695534938
Energy: 1.1212217932392092
Energy: 1.095911569555208
Energy: 1.1212217932396378
Energy: 0.9877352762757695
Energy: 1.1484546796296327
Energy: 0.987735276275341
Energy: 1.1484546796296327
Energy: 0.9877352762744839
Energy: 1.1484546796296327
Energy: 1.102566576225854
Energy: 1.0679556062048716
Energy: 1.102566576227568
Energy: 1.0679556062048716
Energy: 1.1025665762241397
Energy: 1.0679556062048716
Energy: 1.1102171565874792
Energy: 1.0145148356207752
Energy: 1.110217156588336
Energy: 1.0145148356212035
Energy: 1.1102171565879075
Energy: 1.0145148356207752
Energy: 1.1098142643742273
Energy: 1.1283889470642186
Energy: 1.1098142643733704
Energy: 1.1283889470650759
Energy: 1.1098142643755131
Energy: 1.1283889470646473
Energy: 1.0386520850278649
Energy: 1.1239050248007025
Energy: 1.0386520850295793
Energy: 1.1239050248032738
Energy: 1.0386520850287222
Energy: 1.0772949560681702
Energy: 1.1121828276100731
Energy: 0.9352929637900111
Energy: 1.1121828276070735
Energy: 0.9352929637900111
Energy: 1.1121828276122157
Energy: 0.9352929637904396
Energy: 1.0696252777276831
Energy: 1.1397421665301637
Energy: 1.0696252777272546
Energy: 1.139742166529735
Energy: 1.0696252777276831
Energy: 1.1397421665301637
Energy: 1.076009161439363
Energy: 1.0761959799618652
Energy: 1.0760091614406488
Energy: 1.0761959799622938
Energy: 1.0760091614380776
Energy: 1.0761959799618652
Energy: 1.0016988091471002
Energy: 0.9225926970470878
Energy: 1.0016988091441006
Energy: 0.9225926970475162
Energy: 1.001698809147529
Energy: 0.9225926970470878
Energy: 1.0759591266155715
Energy: 1.0760203594406554
Energy: 1.0759591266151427
Energy: 1.0760203594402271
Energy: 1.0759591266147144
Energy: 1.0760203594406554
Energy: 1.0696602581388943
Energy: 1.1397443914673098
Energy: 1.0696602581388943
Energy: 1.1397443914673098
Energy: 1.0696602581388943
Energy: 1.1397443914668814
Energy: 1.112258874785624
Energy: 0.9350369895465888
Energy: 1.1122588747847668
Energy: 0.9350369895465888
Energy: 1.1122588747851951
Energy: 0.9350369895465888
Energy: 1.0386765100587327
Energy: 1.126058990410015
Energy: 1.0386765100587327
Energy: 1.126058990410015
Energy: 1.0386765100583042
Energy: 1.126058990410015
Energy: 1.1120644430420283
Energy: 1.128561937843603
Energy: 1.1120644430424567
Energy: 1.1285619378431744
Energy: 1.1120644430420283
Energy: 1.128561937842746
Energy: 1.11016185936508
Energy: 1.0143877789433884
Energy: 1.1101618593672227
Energy: 1.0143877789438172
Energy: 1.11016185936508
Energy: 1.0143877789442455
Energy: 1.1028768666816582
Energy: 1.0678167641474627
Energy: 1.102876866683801
Energy: 1.0678167641474627
Energy: 1.1028768666816582
Energy: 1.0678167641474627
Energy: 0.9876848757821421
Energy: 1.14819271976483
Energy: 0.9876848757804281
Energy: 1.14819271976483
Energy: 0.9876848757812852
Energy: 1.1481927197652586
Energy: 1.0962099101824845
Energy: 1.121264396682681
Energy: 1.0962099101811988
Energy: 1.121264396682681
Energy: 1.0962099101833416
Energy: 1.121264396682681
Energy: 1.060344491328546
Energy: 0.9636883002698712
Energy: 1.0603444913298317
Energy: 0.9636883002694427
Energy: 1.0603444913289746
Energy: 0.9636883002694427
Energy: 1.0630565708901096
Energy: 1.201529145345057
Energy: 1.0630565708901096
Energy: 1.2015291453454853
Energy: 1.0630565708901096
Energy: 1.201529145346771
Energy: 1.0973014713688485
Energy: 1.13862583585303
Energy: 1.0973014713675628
Energy: 1.13862583585303
Energy: 1.0973014713697058
Energy: 1.13862583585303
Energy: 1.1655455606910645
Energy: 1.0576812788766705
Energy: 1.1655455606893503
Energy: 1.0576812788762417
Energy: 1.1655455606906362
Energy: 1.0576812788762417
Energy: 0.9448330510703011
Energy: 0.9652531322778908
Energy: 0.9448330510711581
Energy: 0.965253132277462
Energy: 0.9448330510715869
Energy: 0.965253132277462
Energy: 1.045147846611007
Energy: 1.0394918717164452
Energy: 1.045147846611007
Energy: 1.0394918717164452
Energy: 1.045147846611007
Energy: 1.0394918717164452
Energy: 1.0917701763161702
Energy: 0.9355441807749666
Energy: 1.0917701763148846
Energy: 0.9355441807749666
Energy: 1.0917701763157415
Energy: 0.9355441807749666
Energy: 0.9813726899334925
Energy: 1.046937574316758
Energy: 0.981372689934778
Energy: 1.046937574316758
Energy: 0.981372689933921
Energy: 1.046937574316758
Energy: 1.0576151134137393
Energy: 1.05406982115785
Energy: 1.0576151134128822
Energy: 1.05406982115785
Energy: 1.0576151134141678
Energy: 1.05406982115785
Energy: 1.176493037469651
Energy: 0.969350406259125
Energy: 1.1764930374713651
Energy: 0.9693504062587355
Energy: 1.176493037468794
Energy: 0.9693504062587355
Energy: 1.0576071908447657
Energy: 1.0444753714042307
Energy: 1.0576071908477656
Energy: 1.0444753714042307
Energy: 1.0576071908447657
Energy: 1.0444753714042307
Energy: 0.981256073853908
Energy: 1.0466195082619243
Energy: 0.9812560738556223
Energy: 1.0466195082619243
Energy: 0.981256073853908
Energy: 1.0466195082623528
Energy: 1.0916093079833113
Energy: 0.9669391363664773
Energy: 1.091609307982454
Energy: 0.9669391363669059
Energy: 1.0916093079833113
Energy: 0.9669391363664773
Energy: 1.045032738233765
Energy: 1.0442358765867037
Energy: 1.045032738233765
Energy: 1.0442358765867037
Energy: 1.0450327382320506
Energy: 1.044235876587132

minimum gb energy = 0.9225926970470878 eV
minimum distance =  2.28697810560866 Angstroms
sigma value = 57


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

Energy: 1.1285836524403399
Energy: 1.073250610797581
Energy: 1.1285836524403399
Energy: 1.073250610797581
Energy: 1.1285836524396422
Energy: 1.0732506107968833
Energy: 0.9653372687286603
Energy: 0.9853520226452136
Energy: 0.965337268730056
Energy: 0.9853520226459114
Energy: 0.9653372687293582
Energy: 0.9853520226459114
Energy: 0.9725705101211045
Energy: 0.984293928898398
Energy: 0.9725705101259889
Energy: 0.984293928898398
Energy: 0.9725705101204067
Energy: 0.984293928898398
Energy: 1.0527759691799348
Energy: 0.8850425572468832
Energy: 1.0527759691806324
Energy: 0.8850425572468832
Energy: 1.0527759691820282
Energy: 0.8850425572468832
Energy: 0.966051415919384
Energy: 0.9557915783608155
Energy: 0.966051415919384
Energy: 0.9557915783615134
Energy: 0.9660514159200818
Energy: 0.9557915783615134
Energy: 0.8794956705371604
Energy: 0.8881602341335733
Energy: 0.8794956705371604
Energy: 0.8881602341335733
Energy: 0.8794956705385558
Energy: 0.888160234134271
Energy: 1.0198668824664434
Energy: 0.988194332487829
Energy: 1.0198668824664434
Energy: 0.988194332487829
Energy: 1.0198668824664434
Energy: 0.988194332487829
Energy: 1.0305441259103074
Energy: 1.0501884178586096
Energy: 1.0305441259089116
Energy: 1.0501884178586096
Energy: 1.0305441259103074
Energy: 1.0501884178586096
Energy: 0.9459289682573384
Energy: 0.8894869929678804
Energy: 0.9459289682566406
Energy: 0.8894869929685781
Energy: 0.9459289682587338
Energy: 0.8894869929685781
Energy: 0.9871732981968508
Energy: 0.9683156022348222
Energy: 0.9871732981940597
Energy: 0.9683156022348222
Energy: 0.9871732981975485
Energy: 0.9683156022341246
Energy: 1.0201505356105722
Energy: 1.0784924513378358
Energy: 1.0201505356091767
Energy: 1.0784924513378358
Energy: 1.0201505356119678
Energy: 1.0784924513378358
Energy: 0.8618061792400419
Energy: 1.048912597457185
Energy: 0.8618061792407397
Energy: 1.0489125974564872
Energy: 0.8618061792393441
Energy: 1.0489125974578828
Energy: 0.984424638840375
Energy: 0.9249156012361136
Energy: 0.9844246388389795
Energy: 0.9249156012368115
Energy: 0.984424638840375
Energy: 0.9249156012368115
Energy: 1.073507367960346
Energy: 0.999802999424753
Energy: 1.0735073679582527
Energy: 0.9998029994240551
Energy: 1.0735073679582527
Energy: 0.9998029994254509
Energy: 0.9222711480726574
Energy: 1.1002866644863203
Energy: 0.9222711480705639
Energy: 1.1002866644856224
Energy: 0.9222711480740529
Energy: 1.1002866644856224
Energy: 1.0075094319521802
Energy: 0.9838536160252163
Energy: 1.0075094319521802
Energy: 0.9838536160252163
Energy: 1.0075094319507847
Energy: 0.9838536160252163
Energy: 1.0477208992667524
Energy: 0.9783140847391447
Energy: 1.0477208992667524
Energy: 0.9783140847391447
Energy: 1.0477208992681477
Energy: 0.9783140847391447
Energy: 1.0348105959181084
Energy: 1.0865180157537195
Energy: 1.0348105959181084
Energy: 1.0865180157537195
Energy: 1.034810595919504
Energy: 1.0865180157537195
Energy: 0.982948901486943
Energy: 1.0192183851212908
Energy: 0.982948901486943
Energy: 1.0192183851212908
Energy: 0.9829489014883385
Energy: 1.0192183851219885
Energy: 0.9845531875091187
Energy: 0.8849021387193032
Energy: 0.9845531875084209
Energy: 0.8849021387179078
Energy: 0.984553187507723
Energy: 0.8849021387186055
Energy: 0.9962311979680577
Energy: 1.0735362257161305
Energy: 0.9962311979659642
Energy: 1.0735362257161305
Energy: 0.9962311979680577
Energy: 1.0735362257154328
Energy: 0.96940961509134
Energy: 1.0188322467308233
Energy: 0.9694096150906423
Energy: 1.018832246731521
Energy: 0.9694096150899445
Energy: 1.0188322467308233
Energy: 0.9309827210886026
Energy: 0.8582846157494378
Energy: 0.9309827210893005
Energy: 0.8582846157494378
Energy: 0.9309827210865728
Energy: 0.8582846157494378
Energy: 0.9743624541935625
Energy: 1.1191346736431378
Energy: 0.9743624541970511
Energy: 1.1191346736438355
Energy: 0.9743624541935625
Energy: 1.1191346736431378
Energy: 0.9918317571495928
Energy: 1.063131001229967
Energy: 0.9918317571509883
Energy: 1.0631310012292694
Energy: 0.9918317571502906
Energy: 1.0631310012285717
Energy: 0.903243163658033
Energy: 0.8584334547683363
Energy: 0.9032431636559398
Energy: 0.8584334547683363
Energy: 0.9032431636552419
Energy: 0.8584334547690342
Energy: 0.9394144159301916
Energy: 1.0179670386971258
Energy: 0.9394144159294938
Energy: 1.0179670386971258
Energy: 0.9394144159301916
Energy: 1.0179670386971258

minimum gb energy = 0.8582846157494378 eV
minimum distance =  2.2527142361737 Angstroms
sigma value = 43


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

Energy: 1.1013665620811002
Energy: 0.951395062541617
Energy: 1.101366562082117
Energy: 0.9513950625411085
Energy: 1.1013665620811002
Energy: 0.951395062541617
Energy: 0.8624072555211151
Energy: 0.9165782825502
Energy: 0.8624072555302664
Energy: 0.9165782825502
Energy: 0.8624072555200983
Energy: 0.9165782825496915
Energy: 0.8343809947957135
Energy: 0.9158190035070515
Energy: 0.8493017465837237
Energy: 0.9158190035070515
Energy: 0.8343809947957135
Energy: 0.9158190035070515
Energy: 1.0157780009991628
Energy: 0.7834576451276114
Energy: 1.0157780009986541
Energy: 0.7834576451276114
Energy: 1.0157780009991628
Energy: 0.783457645127103
Energy: 0.8532225994548944
Energy: 0.946797441106132
Energy: 0.8532225994543859
Energy: 0.946797441106132
Energy: 0.8532225994538776
Energy: 0.946797441106132
Energy: 0.766454333856605
Energy: 0.8868330710401954
Energy: 0.7664543338550798
Energy: 0.8868330710407037
Energy: 0.766454333856605
Energy: 0.8868330710407037
Energy: 0.9592850073056872
Energy: 0.8433635420868734
Energy: 0.9592850073061956
Energy: 0.8433635420873818
Energy: 0.9592850073061956
Energy: 0.8433635420873818
Energy: 0.8551166595005687
Energy: 0.9370510703568343
Energy: 0.8551166595005687
Energy: 0.9370510703558176
Energy: 0.8551166595010771
Energy: 0.937051070356326
Energy: 0.7317767248690119
Energy: 0.8614663591808068
Energy: 0.7317767248700288
Energy: 0.8614663591802985
Energy: 0.7317767248695203
Energy: 0.8614663591808068
Energy: 0.9961532959918545
Energy: 0.8194630578315127
Energy: 0.9961532959903294
Energy: 0.8194630578310044
Energy: 0.9961532959903294
Energy: 0.8194630578310044
Energy: 0.9265406661358282
Energy: 0.9329180598576452
Energy: 0.9265406661353198
Energy: 0.9329180598576452
Energy: 0.9265406661373534
Energy: 0.9329180598576452
Energy: 0.8006102885394442
Energy: 0.860547367767992
Energy: 0.800610288540461
Energy: 0.860547367767992
Energy: 0.8006102885409694
Energy: 0.860547367767992
Energy: 0.8740719039122651
Energy: 0.79265372390169
Energy: 0.8740719039137903
Energy: 0.79265372390169
Energy: 0.8740719039122651
Energy: 0.7926537239021983
Energy: 0.9256758788547611
Energy: 0.9406680704484592
Energy: 0.9256758788552696
Energy: 0.9406680704479509
Energy: 0.9256758788552696
Energy: 0.9406680704479509
Energy: 0.8100381293813801
Energy: 0.9997915370917376
Energy: 0.8100381293798549
Energy: 0.9997915370917376
Energy: 0.8100381293813801
Energy: 0.9997915370917376
Energy: 0.9007009124329634
Energy: 0.7593231899407524
Energy: 0.9007009124319466
Energy: 0.7593231899412609
Energy: 0.9007009124319466
Energy: 0.7593231899417693
Energy: 0.9646144416978382
Energy: 0.9270750961203066
Energy: 0.9646144416978382
Energy: 0.9270750961203066
Energy: 0.9646144416978382
Energy: 0.9270750961203066
Energy: 0.7483841778788768
Energy: 0.9760725984589037
Energy: 0.7483841778788768
Energy: 0.9760725984589037
Energy: 0.7483841778773517
Energy: 0.9760725984589037
Energy: 0.8646916186637621
Energy: 0.818527026507464
Energy: 0.8646916186627454
Energy: 0.818527026507464
Energy: 0.8646916186632537
Energy: 0.818527026507464
Energy: 1.0033401043899544
Energy: 0.8444897825923237
Energy: 1.0033401043894459
Energy: 0.844489782592832
Energy: 1.003340104392496
Energy: 0.844489782592832
Energy: 0.8089151283749051
Energy: 1.0315410396987705
Energy: 0.8089151283754135
Energy: 1.0315410396987705
Energy: 0.8089151283743967
Energy: 1.0315410396987705
Energy: 0.9251472941275232
Energy: 0.8632571915790629
Energy: 0.9251472941290484
Energy: 0.8632571915795713
Energy: 0.9251472941290484
Energy: 0.8632571915790629
Energy: 0.9218434607458527
Energy: 0.8494547575985656
Energy: 0.9218434607468694
Energy: 0.8494547575985656
Energy: 0.921843460746361
Energy: 0.849454757599074
Energy: 0.8963078073299501
Energy: 1.030098833322387
Energy: 0.8963078073299501
Energy: 1.030098833322387
Energy: 0.8963078073294417
Energy: 1.0300988333218786
Energy: 0.8680059013581456
Energy: 0.8458040573886179
Energy: 0.868005901356112
Energy: 0.8458040573881094
Energy: 0.8680059013566204
Energy: 0.8458040573881094
Energy: 0.8658663550864696
Energy: 0.7806625772894307
Energy: 0.8658663550885032
Energy: 0.7806625772894307
Energy: 0.8658663550854527
Energy: 0.7806625772894307
Energy: 0.7805542778935791
Energy: 0.9616709658648624
Energy: 0.7481828919552361
Energy: 0.9616709658648624
Energy: 0.7805542778930707
Energy: 0.9616709658648624
Energy: 0.8318023202790955
Energy: 0.8273683422442103
Energy: 0.8318023202775703
Energy: 0.8273683422447188
Energy: 0.831802320278587
Energy: 0.8273683422447188
Energy: 0.8704295961561171
Energy: 0.7354773940337435
Energy: 0.8704295961566255
Energy: 0.7354773940337435
Energy: 0.8704295961556088
Energy: 0.7354773940337435
Energy: 0.7993855343269081
Energy: 0.9162228237614211
Energy: 0.7993855343253828
Energy: 0.9162228237614211
Energy: 0.7993855343253828
Energy: 0.9162228237609127
Energy: 0.8624343401023309
Energy: 0.976426068995394
Energy: 0.8770559392221419
Energy: 0.976426068995394
Energy: 0.8770559392180747
Energy: 0.976426068995394
Energy: 0.7873986947107235
Energy: 0.7216955318803301
Energy: 0.7873986947091983
Energy: 0.7216955318803301
Energy: 0.7873986947091983
Energy: 0.7216955318803301
Energy: 0.798955702406856
Energy: 0.9659410367113801
Energy: 0.798955702409398
Energy: 0.9659410367113801
Energy: 0.7989557024063475
Energy: 0.9659410367113801
Energy: 0.930486319018515
Energy: 0.9502179316724845
Energy: 0.9304863190195318
Energy: 0.9502179316729928
Energy: 0.9304863190190233
Energy: 0.9502179316724845
Energy: 0.8180448670588994
Energy: 0.7862856743694571
Energy: 0.8180448670599163
Energy: 0.7862856743699655
Energy: 0.8180448670588994
Energy: 0.7862856743694571
Energy: 0.7753246270174354
Energy: 0.8441615010524266
Energy: 0.7753246270179438
Energy: 0.844161501052935
Energy: 0.7753246270164186
Energy: 0.844161501052935

minimum gb energy = 0.7216955318803301 eV
minimum distance =  2.23301240008973 Angstroms
sigma value = 81


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

Energy: 0.3590577547142002
Energy: 0.4079807181302474
Energy: 0.07945682165428176
Energy: 0.4079807181302474
Energy: 0.3590577547142002
Energy: 0.4079807181302474
Energy: 0.6922843509703678
Energy: 0.08104456530110951
Energy: 0.6922843509703678
Energy: 0.08104456529924152
Energy: 0.6922843509703678
Energy: 0.08104456530110951
Energy: 0.6438807223670752
Energy: 0.07978089346140857
Energy: 0.6438807223670752
Energy: 0.07978089345954058
Energy: 0.6438807223670752
Energy: 0.07978089346140857
Energy: 0.07945682165428176
Energy: 0.40798071812837944
Energy: 0.07945682165428176
Energy: 0.40798071812837944
Energy: 0.07945682165428176
Energy: 0.40798071812837944
Energy: 0.6922843509684997
Energy: 0.08104456528429768
Energy: 0.6922843509684997
Energy: 0.08104456528429768
Energy: 0.6922843509684997
Energy: 0.08104456528429768
Energy: 0.6438807223670752
Energy: 0.0797808934576726
Energy: 0.6438807223670752
Energy: 0.0797808934576726
Energy: 0.6438807223670752
Energy: 0.0797808934576726
Energy: 0.3590577547160682
Energy: 0.4079807181302474
Energy: 0.07945682165428176
Energy: 0.4079807181302474
Energy: 0.3590577547160682
Energy: 0.40798071813211534
Energy: 0.6922843509703678
Energy: 0.0810445652730898
Energy: 0.6922843509722357
Energy: 0.08104456527122182
Energy: 0.6922843509703678
Energy: 0.08104456527122182
Energy: 0.6438807223652071
Energy: 0.0797808934576726
Energy: 0.6438807223652071
Energy: 0.0797808934576726
Energy: 0.6438807223652071
Energy: 0.0797808934576726
Energy: 0.07945682165428176
Energy: 0.4079807181302474
Energy: 0.07945682165428176
Energy: 0.4079807181302474
Energy: 0.07945682165428176
Energy: 0.4079807181302474

minimum gb energy = 0.07945682165428176 eV
minimum distance =  2.44972029795181 Angstroms
sigma value = 3


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

Energy: 1.006685611658199
Energy: 0.8274362992924885
Energy: 1.006685611658199
Energy: 0.8274362992924885
Energy: 1.006685611657081
Energy: 0.8274362992919296
Energy: 0.8600535589263277
Energy: 0.935020112154835
Energy: 0.8600535589257687
Energy: 0.935020112154835
Energy: 0.8600535589268867
Energy: 0.935020112154835
Energy: 0.9269810960090963
Energy: 0.9148612519385654
Energy: 0.8959511927451976
Energy: 0.9148612519385654
Energy: 0.8959511927446387
Energy: 0.9148612519385654
Energy: 0.9257500790036197
Energy: 0.821498531301411
Energy: 0.9257500790036197
Energy: 0.821498531300852
Energy: 0.9257500790030607
Energy: 0.821498531301411
Energy: 0.8026347068845511
Energy: 0.8609647349089126
Energy: 0.8026347068851101
Energy: 0.8609647349094716
Energy: 0.8026347068851101
Energy: 0.8609647349094716
Energy: 0.9001622774618557
Energy: 0.9318862181471086
Energy: 0.9001622774618557
Energy: 0.9318862181471086
Energy: 0.9001622774624147
Energy: 0.9318862181471086
Energy: 0.8820252322816595
Energy: 0.8401347458264331
Energy: 0.8820252322811003
Energy: 0.8401347458264331
Energy: 0.8820252322816595
Energy: 0.8401347458269921
Energy: 0.7825110676364281
Energy: 0.8181499771366397
Energy: 0.7825110676347512
Energy: 0.8181499771366397
Energy: 0.7825110676364281
Energy: 0.8181499771371987
Energy: 0.9563654274936243
Energy: 0.9107349561380343
Energy: 0.9563654274947422
Energy: 0.9107349561380343
Energy: 0.9563654274941833
Energy: 0.9107349561380343
Energy: 0.7865834941541939
Energy: 0.7758116701168456
Energy: 0.7865834941541939
Energy: 0.7758116701168456
Energy: 0.786583494154753
Energy: 0.7758116701168456
Energy: 0.8071182124414984
Energy: 0.8437459067340985
Energy: 0.8071182124426163
Energy: 0.8437459067340985
Energy: 0.8071182124420574
Energy: 0.8437459067340985
Energy: 0.9232465348692964
Energy: 0.9489051155645569
Energy: 0.9232465348692964
Energy: 0.9489051155645569
Energy: 0.9232465348698555
Energy: 0.9489051155645569
Energy: 0.9889106027880343
Energy: 0.773973637628887
Energy: 0.9889106027880343
Energy: 0.773973637629446
Energy: 0.9889106027874753
Energy: 0.773973637629446
Energy: 0.8082905034833764
Energy: 0.8509643168360151
Energy: 0.8082905034833764
Energy: 0.8509643168360151
Energy: 0.8082905034822583
Energy: 0.8509643168360151
Energy: 0.9079873360812407
Energy: 0.9408909898392384
Energy: 0.9079873360817997
Energy: 0.9408909898397976
Energy: 0.9079873360817997
Energy: 0.9408909898392384
Energy: 0.971787653496462
Energy: 0.8014954323929878
Energy: 0.9717876534953442
Energy: 0.8014954323929878
Energy: 0.9717876534953442
Energy: 0.8014954323929878
Energy: 0.864917172185758
Energy: 0.8915411988959233
Energy: 0.8649171721851988
Energy: 0.8915411988953643
Energy: 0.8649171721846398
Energy: 0.8915411988959233
Energy: 0.9366005388172083
Energy: 0.922077863780769
Energy: 0.9366005388177673
Energy: 0.922077863780769
Energy: 0.9366005388172083
Energy: 0.922077863780769
Energy: 0.9392873584374392
Energy: 0.7968364107567549
Energy: 0.9392873584374392
Energy: 0.7968364107561958
Energy: 0.9392873584385573
Energy: 0.7968364107567549
Energy: 0.9139026939012354
Energy: 0.9611443892000087
Energy: 0.9139026939001175
Energy: 0.9611443892000087
Energy: 0.9139026939012354
Energy: 0.9611443892000087
Energy: 0.908506824742432
Energy: 0.8584546488892821
Energy: 0.908506824742432
Energy: 0.8584546488892821
Energy: 0.908506824742991
Energy: 0.8584546488892821
Energy: 1.0328173530454376
Energy: 0.8752744784637988
Energy: 1.0328173530465556
Energy: 0.8752744784637988
Energy: 1.0328173530459965
Energy: 0.8752744784632398
Energy: 0.8591026367925988
Energy: 0.9619855319840439
Energy: 0.8591026367903628
Energy: 0.9619855319846029
Energy: 0.8591026367909218
Energy: 0.9619855319846029
Energy: 0.921803977470397
Energy: 0.8321758212560403
Energy: 0.92180397746872
Energy: 0.8321758212565993
Energy: 0.9218039774715151
Energy: 0.8321758212560403
Energy: 0.9624974477360779
Energy: 0.9029970689810541
Energy: 0.9624974477360779
Energy: 0.9029970689810541
Energy: 0.9624974477355189
Energy: 0.9029970689810541
Energy: 0.7817184278924798
Energy: 0.954377193468485
Energy: 0.7817184278930388
Energy: 0.954377193468485
Energy: 0.7817184278924798
Energy: 0.954377193468485
Energy: 0.9340609376536212
Energy: 0.8143842168752585
Energy: 0.9340609376530622
Energy: 0.8143842168746996
Energy: 0.9340609376530622
Energy: 0.8143842168752585
Energy: 0.8707527282568951
Energy: 0.8705648966034204
Energy: 0.870752728255218
Energy: 0.8705648966039793
Energy: 0.8707527282563362
Energy: 0.8705648966034204
Energy: 0.7474053333527076
Energy: 0.9477050299469078
Energy: 0.7474053333538255
Energy: 0.9477050299469078
Energy: 0.7474053333532665
Energy: 0.9477050299469078
Energy: 0.9611879799659063
Energy: 0.8398830357911384
Energy: 0.9611879799647882
Energy: 0.8398830357911384
Energy: 0.9611879799659063
Energy: 0.8398830357911384
Energy: 0.8619031680964228
Energy: 0.8732529443125767
Energy: 0.9545575667558414
Energy: 0.8732529443120177
Energy: 0.9464257436137952
Energy: 0.8732529443131357
Energy: 0.7795208423038255
Energy: 0.9000224383662578
Energy: 0.7795208423038255
Energy: 0.9000224383662578
Energy: 0.7795208423038255
Energy: 0.9000224383662578
Energy: 0.8836259853097747
Energy: 0.8669770807443367
Energy: 0.8836259853092155
Energy: 0.8669770807448955
Energy: 0.8836259853092155
Energy: 0.8669770807448955

minimum gb energy = 0.7474053333527076 eV
minimum distance =  2.31170432074486 Angstroms
sigma value = 67


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

Energy: 1.1201178594961612
Energy: 0.9944071346095518
Energy: 1.1201178594985504
Energy: 0.9944071346095518
Energy: 1.1201178594969574
Energy: 0.9944071346095518
Energy: 0.9810301216911427
Energy: 1.0660844216808913
Energy: 0.9810301216903462
Energy: 1.0660844216816878
Energy: 0.9810301216895497
Energy: 1.0660844216808913
Energy: 1.0464280875853564
Energy: 1.0852019889755617
Energy: 1.1080305240920096
Energy: 1.0852019889755617
Energy: 1.046014620240431
Energy: 1.0852019889755617
Energy: 1.0516461691176198
Energy: 0.9410392243649509
Energy: 1.0516461691168233
Energy: 0.9410392243649509
Energy: 1.051646169116027
Energy: 0.9410392243649509
Energy: 0.954529887738327
Energy: 0.9484088222151682
Energy: 0.9545298877375303
Energy: 0.9484088222151682
Energy: 0.954529887738327
Energy: 0.9484088222159647
Energy: 1.024656816087672
Energy: 1.0439713356539353
Energy: 1.0246568160908582
Energy: 1.0439713356539353
Energy: 1.024656816089265
Energy: 1.0439713356539353
Energy: 0.9719272645900545
Energy: 0.9622789770858351
Energy: 0.9719272645884615
Energy: 0.9622789770858351
Energy: 0.9719272645884615
Energy: 0.9622789770858351
Energy: 1.0118734076694547
Energy: 0.9446810384155305
Energy: 1.0118734076678615
Energy: 0.944681038416327
Energy: 1.0118734076694547
Energy: 0.944681038416327
Energy: 1.0595726738906928
Energy: 1.0923386512584519
Energy: 1.0595726738890998
Energy: 1.0923386512584519
Energy: 1.0595726738906928
Energy: 1.0923386512584519
Energy: 1.0577219447456556
Energy: 0.9632074496445381
Energy: 1.0577219447424695
Energy: 0.9632074496445381
Energy: 1.0577219447440627
Energy: 0.9632074496445381
Energy: 1.0214013437961298
Energy: 1.0194040075134578
Energy: 1.0214013437945368
Energy: 1.0194040075134578
Energy: 1.0214013437961298
Energy: 1.0194040075134578
Energy: 1.011223736504352
Energy: 1.0331518329449765
Energy: 1.0112237365051484
Energy: 1.0331518329449765
Energy: 1.0112237365035555
Energy: 1.033151832945773
Energy: 1.00521120650813
Energy: 0.9318606220042008
Energy: 1.0052112065073335
Energy: 0.9318606220049974
Energy: 1.0052112065073335
Energy: 0.9318606220049974
Energy: 1.024575539604044
Energy: 1.0727656322010946
Energy: 1.0245755396032474
Energy: 1.0727656322010946
Energy: 1.0245755396032474
Energy: 1.0727656322010946
Energy: 0.9725158179007933
Energy: 0.9817528021215164
Energy: 0.9725158179007933
Energy: 0.9817528021207198
Energy: 0.9725158179015898
Energy: 0.9817528021207198
Energy: 1.084198728704402
Energy: 1.0250269157463079
Energy: 1.0841987287020125
Energy: 1.0250269157463079
Energy: 1.0841987287036052
Energy: 1.0250269157463079
Energy: 0.9790966614012048
Energy: 1.096666659165415
Energy: 0.9790966614020012
Energy: 1.096666659165415
Energy: 0.9790966614027978
Energy: 1.096666659165415
Energy: 1.0284102679334846
Energy: 0.9415213698362698
Energy: 1.028410267934281
Energy: 0.9415213698354732
Energy: 1.0284102679334846
Energy: 0.9415213698362698
Energy: 1.055057283881243
Energy: 1.067661088925869
Energy: 1.0550572838820396
Energy: 1.067661088925869
Energy: 1.055057283881243
Energy: 1.067661088925869
Energy: 0.9822809166700625
Energy: 1.1077694792501456
Energy: 0.9822809166700625
Energy: 1.1077694792501456
Energy: 0.9822809166700625
Energy: 1.1077694792501456
Energy: 1.112097043574276
Energy: 0.9382867790463106
Energy: 1.1120970435734796
Energy: 0.9382867790463106
Energy: 1.1120970435734796
Energy: 0.9382867790455142
Energy: 1.0623675687704273
Energy: 1.0969858087702675
Energy: 1.0623675687712235
Energy: 1.0969858087702675
Energy: 1.0623675687704273
Energy: 1.0969858087702675
Energy: 0.8848511127477235
Energy: 1.1449529210969627
Energy: 0.8848511127461305
Energy: 1.1449529210969627
Energy: 0.8848511127477235
Energy: 1.1449529210969627

minimum gb energy = 0.8848511127461305 eV
minimum distance =  2.28991231631858 Angstroms
sigma value = 33


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

Energy: 1.1747710584833542
Energy: 1.0220868884653858
Energy: 1.1747710584838593
Energy: 1.0220868884658911
Energy: 1.1747710584843647
Energy: 1.0220868884658911
Energy: 1.0617034017928493
Energy: 1.1335002690071077
Energy: 1.0617034017938598
Energy: 1.1335002690066023
Energy: 1.0617034017923441
Energy: 1.1335002690071077
Energy: 1.1432155938477226
Energy: 1.1641215954936104
Energy: 1.1432155938487332
Energy: 1.1641215954936104
Energy: 1.1432155938492385
Energy: 1.1641215954936104
Energy: 1.1321883623527225
Energy: 1.0340640025197114
Energy: 1.1321883623522169
Energy: 1.0340640025197114
Energy: 1.1321883623532276
Energy: 1.034064002519206
Energy: 1.087117060564042
Energy: 1.0651577889928823
Energy: 1.087117060564042
Energy: 1.0651577889933876
Energy: 1.0871170605645473
Energy: 1.065157788993893
Energy: 1.213140437856192
Energy: 1.1670426419440667
Energy: 1.2131404378556867
Energy: 1.1582116797399185
Energy: 1.2131404378546762
Energy: 1.1582116797404238
Energy: 1.0694466269811982
Energy: 1.085884319846942
Energy: 1.0694466269801874
Energy: 1.085884319846942
Energy: 1.069446626979682
Energy: 1.085884319846942
Energy: 1.1009548110601453
Energy: 1.0922090482637834
Energy: 1.100954811062672
Energy: 1.0922090482642886
Energy: 1.1009548110606509
Energy: 1.0922090482642886
Energy: 1.0879762133291828
Energy: 1.1382097009311092
Energy: 1.0879762133296882
Energy: 1.1382097009311092
Energy: 1.0879762133281723
Energy: 1.1382097009316146
Energy: 1.2466841815642442
Energy: 1.0788892922358273
Energy: 1.246684181565255
Energy: 1.0788892922398696
Energy: 1.2466841815632337
Energy: 1.0393717347431406
Energy: 1.1242311692113593
Energy: 1.117342513107249
Energy: 1.1242311692103488
Energy: 1.117342513107249
Energy: 1.1242311692103488
Energy: 1.117342513107249
Energy: 1.0503104089134594
Energy: 1.0518668614504176
Energy: 1.0503104089134594
Energy: 1.0518668614504176
Energy: 1.0503104089144701
Energy: 1.0518668614504176
Energy: 1.2045594831328026
Energy: 1.1045366606732179
Energy: 1.204559483133308
Energy: 1.104536660673723
Energy: 1.204559483131792
Energy: 1.1045366606732179
Energy: 1.071404614449934
Energy: 1.1163124189552294
Energy: 1.0714046144489235
Energy: 1.1163124189547242
Energy: 1.0714046144489235
Energy: 1.1163124189547242
Energy: 1.110421662857039
Energy: 1.0644183806269494
Energy: 1.110421662857039
Energy: 1.0644183806269494
Energy: 1.1104216628565335
Energy: 1.0644183806264442
Energy: 1.1320914752084286
Energy: 1.1812354476778766
Energy: 1.132091475209439
Energy: 1.1812354476783822
Energy: 1.132091475209439
Energy: 1.1812354476783822
Energy: 1.0739525400187426
Energy: 1.1980031442967634
Energy: 1.0739525400167218
Energy: 1.198003144296258
Energy: 1.0739525400182375
Energy: 1.198003144296258
Energy: 1.2053803606657176
Energy: 1.1806125450887226
Energy: 1.2053803606642017
Energy: 1.1806125450882174
Energy: 1.2053803606652123
Energy: 1.1806125450887226
Energy: 1.0419415192635948
Energy: 1.1847651845028138
Energy: 1.0419415192661214
Energy: 1.1847651845028138
Energy: 1.041941519265111
Energy: 1.1847651845028138
Energy: 1.0857376594411468
Energy: 1.126111779508254
Energy: 1.0857376594406414
Energy: 1.1261117795077487
Energy: 1.0857376594421573
Energy: 1.1261117795077487
Energy: 1.1328819252314954
Energy: 1.1645185599584265
Energy: 1.1328819252320006
Energy: 1.1645185599584265
Energy: 1.132881925232506
Energy: 1.1645185599579213
Energy: 1.130048503752218
Energy: 1.0188160811704114
Energy: 1.130048503752218
Energy: 1.0188160811704114
Energy: 1.130048503752218
Energy: 1.0188160811704114
Energy: 1.061781744203732
Energy: 1.1172554483991084
Energy: 1.0617817442042372
Energy: 1.1172554483986032
Energy: 1.0617817442032267
Energy: 1.1172554483991084
Energy: 1.2194707695405411
Energy: 1.0666590132221614
Energy: 1.2194707695395306
Energy: 1.0666590132226668
Energy: 1.2194707695405411
Energy: 1.0666590132221614
Energy: 1.0491181269595837
Energy: 1.0524132738820777
Energy: 1.0491181269610996
Energy: 1.0524132738820777
Energy: 1.0491181269605945
Energy: 1.0524132738820777
Energy: 1.078095513686126
Energy: 1.1147407578499693
Energy: 1.0780955136876422
Energy: 1.1147407578499693
Energy: 1.0780955136871369
Energy: 1.1147407578499693
Energy: 1.0678987974446792
Energy: 1.017398444776364
Energy: 1.0678987974431635
Energy: 1.0173984447758588
Energy: 1.0678987974446792
Energy: 1.0173984447758588
Energy: 1.1324761176385054
Energy: 1.204013435089787
Energy: 1.1324761176405265
Energy: 1.204013435089787
Energy: 1.1324761176390108
Energy: 1.204013435089787
Energy: 1.0869067807059745
Energy: 1.0664612459883025
Energy: 1.0869067807059745
Energy: 1.066461245987292
Energy: 1.0869067807079955
Energy: 1.0664612459877971
Energy: 1.066749094827452
Energy: 1.087369908390229
Energy: 1.0667490948269467
Energy: 1.0873699083907344
Energy: 1.066749094827452
Energy: 1.0873699083907344
Energy: 1.21255559883744
Energy: 1.1768594874377114
Energy: 1.2125555988364294
Energy: 1.1768594874377114
Energy: 1.2125555988364294
Energy: 1.1768594874377114
Energy: 1.0874419304243423
Energy: 1.1245027959044231
Energy: 1.0874419304253529
Energy: 1.1245027959044231
Energy: 1.0874419304243423
Energy: 1.124502795903918
Energy: 1.1144098239929223
Energy: 1.169784108002913
Energy: 1.1144098239929223
Energy: 1.169784108002913
Energy: 1.1144098239929223
Energy: 1.1697841080034184
Energy: 1.1077504813702808
Energy: 1.132339947184793
Energy: 1.1077504813692702
Energy: 1.132339947184793
Energy: 1.1077504813692702
Energy: 1.132339947184793
Energy: 1.0687053646130202
Energy: 1.163776731656428
Energy: 1.0687053646125149
Energy: 1.163776731656428
Energy: 1.0687053646130202
Energy: 1.163776731656428
Energy: 1.1996335182514495
Energy: 1.084167029015591
Energy: 1.1996335182519549
Energy: 1.084167029015591
Energy: 1.199633518250439
Energy: 1.084167029015591
Energy: 1.0482875707941834
Energy: 1.0809270970454
Energy: 1.0482875707941834
Energy: 1.0809270970448943
Energy: 1.0482875707926678
Energy: 1.0809270970448943

minimum gb energy = 1.0173984447758588 eV
minimum distance =  2.25937518644219 Angstroms
sigma value = 41


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

Energy: 1.217151145322811
Energy: 1.1678686378495893
Energy: 1.2171511453214314
Energy: 1.1678686378495893
Energy: 1.2171511453214314
Energy: 1.1678686378495893
Energy: 1.1774557076715875
Energy: 1.1886180581556751
Energy: 1.1774557076715875
Energy: 1.1886180581556751
Energy: 1.1774557076715875
Energy: 1.1886180581556751
Energy: 1.4042287334427535
Energy: 1.1821112006234822
Energy: 1.404228733444133
Energy: 1.1821112006221026
Energy: 1.2964068021692092
Energy: 1.1821112006221026
Energy: 1.2528198972848419
Energy: 1.2677341953505306
Energy: 1.2528198972834623
Energy: 1.2677341953505306
Energy: 1.2528198972834623
Energy: 1.2677341953505306
Energy: 1.2351269927785262
Energy: 1.192175674989703
Energy: 1.2351269927785262
Energy: 1.192175674989703
Energy: 1.2351269927785262
Energy: 1.192175674989703
Energy: 1.3345083363852144
Energy: 1.2629221660573466
Energy: 1.334508336386594
Energy: 1.2629221660573466
Energy: 1.334508336386594
Energy: 1.2629221660573466
Energy: 1.2545631587953834
Energy: 1.1412991015292258
Energy: 1.2545631587953834
Energy: 1.1412991015292258
Energy: 1.2545631587953834
Energy: 1.1412991015292258
Energy: 1.2750397218602298
Energy: 1.1819587317409923
Energy: 1.2750397218616094
Energy: 1.1819587317409923
Energy: 1.2750397218616094
Energy: 1.1819587317409923
Energy: 1.1646217214407981
Energy: 1.142420506281739
Energy: 1.1646217214407981
Energy: 1.142420506281739
Energy: 1.1646217214394186
Energy: 1.142420506281739
Energy: 1.2169964570093115
Energy: 1.1821977311528187
Energy: 1.2169964570093115
Energy: 1.1821977311528187
Energy: 1.2169964570106908
Energy: 1.1821977311528187
Energy: 1.17660950601578
Energy: 1.1951750247006674
Energy: 1.17660950601578
Energy: 1.1951750247006674
Energy: 1.1766095060171595
Energy: 1.1951750247006674
Energy: 1.2499173973558035
Energy: 1.1887539401083198
Energy: 1.2499173973544238
Energy: 1.1887539401083198
Energy: 1.2499173973544238
Energy: 1.1887539401083198
Energy: 1.2538820706730478
Energy: 1.2626910215418903
Energy: 1.2538820706730478
Energy: 1.2626910215418903
Energy: 1.2538820706716682
Energy: 1.2626910215418903
Energy: 1.2962554999827596
Energy: 1.1943027960930672
Energy: 1.2962554999827596
Energy: 1.1943027960930672
Energy: 1.2962554999813802
Energy: 1.1943027960930672

minimum gb energy = 1.1412991015292258 eV
minimum distance =  2.24487503997164 Angstroms
sigma value = 11


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

Energy: 1.3436107938442983
Energy: 1.3167919570777318
Energy: 1.3436107938442983
Energy: 1.3167919570777318
Energy: 1.343610793843692
Energy: 1.3167919570777318
Energy: 1.3217087942154964
Energy: 1.2879835984084937
Energy: 1.3217087942148902
Energy: 1.2879835984084937
Energy: 1.3217087942148902
Energy: 1.2879835984091001
Energy: 1.318644946990229
Energy: 1.3189561796451943
Energy: 1.318644946988411
Energy: 1.3189561796451943
Energy: 1.3559041218348036
Energy: 1.3189561796451943
Energy: 1.3617936281904115
Energy: 1.2571009256637866
Energy: 1.3617936281904115
Energy: 1.2571009256637866
Energy: 1.3617936281904115
Energy: 1.2571009256637866
Energy: 1.350999165667303
Energy: 1.3044752186457547
Energy: 1.350999165667303
Energy: 1.3044752186457547
Energy: 1.3509991656679092
Energy: 1.3044752186457547
Energy: 1.275471891823805
Energy: 1.352843036676224
Energy: 1.275471891823805
Energy: 1.352843036676224
Energy: 1.275471891823805
Energy: 1.352843036676224
Energy: 1.2943120476117487
Energy: 1.2923493163671977
Energy: 1.2943120476123549
Energy: 1.2923493163671977
Energy: 1.2943120476117487
Energy: 1.2923493163671977
Energy: 1.312194020153332
Energy: 1.324506563779462
Energy: 1.3121940201545443
Energy: 1.324506563779462
Energy: 1.312194020153332
Energy: 1.324506563779462
Energy: 1.3431727839080085
Energy: 1.2986504455144372
Energy: 1.3431727839074028
Energy: 1.2986504455144372
Energy: 1.3431727839074028
Energy: 1.2986504455144372
Energy: 1.2767045145487772
Energy: 1.3296592505586997
Energy: 1.2767045145487772
Energy: 1.3296592505586997
Energy: 1.2767045145487772
Energy: 1.3296592505586997
Energy: 1.3242664510414117
Energy: 1.309931782780617
Energy: 1.3242664510408055
Energy: 1.309931782780617
Energy: 1.3242664510414117
Energy: 1.309931782780617
Energy: 1.3384115408094017
Energy: 1.3463961979666967
Energy: 1.3384115408094017
Energy: 1.3463961979673025
Energy: 1.3384115408094017
Energy: 1.3463961979673025
Energy: 1.3480666449650853
Energy: 1.2891864562816862
Energy: 1.3480666449650853
Energy: 1.2891864562816862
Energy: 1.3480666449650853
Energy: 1.2891864562816862
Energy: 1.2919115310913292
Energy: 1.3470700326120495
Energy: 1.291911531091935
Energy: 1.3470700326120495
Energy: 1.2919115310913292
Energy: 1.3470700326120495
Energy: 1.2908548689174373
Energy: 1.305734219482524
Energy: 1.2908548689168313
Energy: 1.305734219481918
Energy: 1.2908548689174373
Energy: 1.305734219481918
Energy: 1.2941401008039704
Energy: 1.2929959470359678
Energy: 1.2941401008033644
Energy: 1.2929959470365737
Energy: 1.2941401008045765
Energy: 1.2929959470359678
Energy: 1.2506216949014044
Energy: 1.3017395727624381
Energy: 1.2506216949007982
Energy: 1.3017395727624381
Energy: 1.2506216949020104
Energy: 1.3017395727624381
Energy: 1.3366423032588777
Energy: 1.3413434190769804
Energy: 1.3366423032588777
Energy: 1.3413434190769804
Energy: 1.3366423032588777
Energy: 1.3413434190769804
Energy: 1.304221780704047
Energy: 1.2475368976446939
Energy: 1.3042217807046528
Energy: 1.2475368976452998
Energy: 1.3042217807046528
Energy: 1.2475368976446939
Energy: 1.328436344279511
Energy: 1.2768879653525504
Energy: 1.328436344279511
Energy: 1.2768879653525504
Energy: 1.328436344279511
Energy: 1.2768879653519443
Energy: 1.3192759202819744
Energy: 1.299475930853455
Energy: 1.3192759202819744
Energy: 1.299475930853455
Energy: 1.3192759202819744
Energy: 1.2994759308528492
Energy: 1.3813586786667833
Energy: 1.327375142040389
Energy: 1.3813586786667833
Energy: 1.327375142039783
Energy: 1.3813586786661771
Energy: 1.327375142039783
Energy: 1.2993838625945242
Energy: 1.320780099845335
Energy: 1.2993838625945242
Energy: 1.320780099845335
Energy: 1.2993838625945242
Energy: 1.320780099845335
Energy: 1.3937995612320608
Energy: 1.3255423386510847
Energy: 1.3937995612326668
Energy: 1.3255423386510847
Energy: 1.3937995612326668
Energy: 1.3255423386510847
Energy: 1.2931911732575179
Energy: 1.3144679832712602
Energy: 1.2931911732575179
Energy: 1.3144679832712602
Energy: 1.293191173258124
Energy: 1.3144679832712602
Energy: 1.2728963266079802
Energy: 1.2957202440506825
Energy: 1.2728963266079802
Energy: 1.2957202440506825
Energy: 1.2728963266079802
Energy: 1.2957202440506825
Energy: 1.2758964057048636
Energy: 1.315754816751658
Energy: 1.2758964057042577
Energy: 1.315754816751052
Energy: 1.2758964057042577
Energy: 1.315754816751658
Energy: 1.3322375146684067
Energy: 1.297456253316591
Energy: 1.3322375146684067
Energy: 1.297456253316591
Energy: 1.332237514667801
Energy: 1.297456253316591
Energy: 1.2870305354360723
Energy: 1.3321939688013567
Energy: 1.2870305354354663
Energy: 1.3321939688013567
Energy: 1.2870305354360723
Energy: 1.3321939688013567
Energy: 1.2927283044361684
Energy: 1.2980383470022385
Energy: 1.2927283044361684
Energy: 1.2980383470022385
Energy: 1.2927283044361684
Energy: 1.2980383470022385
Energy: 1.2778173453347352
Energy: 1.353266687818724
Energy: 1.2778173453353414
Energy: 1.353266687818724
Energy: 1.2778173453347352
Energy: 1.35326668781933

minimum gb energy = 1.2475368976446939 eV
minimum distance =  2.23368744033383 Angstroms
sigma value = 57


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

Energy: 1.2020235758190052
Energy: 1.2045386296374636
Energy: 1.2020235758190052
Energy: 1.2045386296374636
Energy: 1.2020235758179265
Energy: 1.2045386296374636
Energy: 1.2518602693477674
Energy: 1.4738765391906914
Energy: 1.251860269348846
Energy: 1.4738765391906914
Energy: 1.2518602693477674
Energy: 1.4738765391896127
Energy: 1.2947692637545551
Energy: 1.2904727921693182
Energy: 1.2947692637556336
Energy: 1.2904727921693182
Energy: 1.2947692637545551
Energy: 1.2904727921693182
Energy: 1.2563016361419932
Energy: 1.6658634816341908
Energy: 1.2563016361441504
Energy: 1.4098853806093483
Energy: 1.256301636140915
Energy: 1.3074721458691634
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2527288137364816
Energy: 1.3342407538647985
Energy: 1.25272881373756
Energy: 1.2111255923207507
Energy: 1.25272881373756
Energy: 1.2111255923207507
Energy: 1.2020235758190052
Energy: 1.204538629640699
Energy: 1.2020235758200837
Energy: 1.204538629640699
Energy: 1.2020235758190052
Energy: 1.204538629640699
Energy: 1.251860269348846
Energy: 1.4738765391917699
Energy: 1.251860269348846
Energy: 1.4738765391917699
Energy: 1.2518602693477674
Energy: 1.4738765391885345
Energy: 1.2947692637556336
Energy: 1.2904727921639259
Energy: 1.2947692637556336
Energy: 1.2904727921639259
Energy: 1.2947692637556336
Energy: 1.2904727921639259
Energy: 1.256301636140915
Energy: 1.4538820565136612
Energy: 1.2563016361430719
Energy: 1.2917035893264994
Energy: 1.256301636140915
Energy: 1.272279984797283
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2527288137300108
Energy: 1.2111255923196724
Energy: 1.252728813731089
Energy: 1.2111255923196724
Energy: 1.2527288137300108
Energy: 1.2111255923196724
Energy: 1.2020235758200837
Energy: 1.2045386296374636
Energy: 1.2020235758200837
Energy: 1.2045386296374636
Energy: 1.2020235758190052
Energy: 1.2045386296374636
Energy: 1.2518602693466891
Energy: 1.4738765391896127
Energy: 1.2518602693477674
Energy: 1.4738765391906914
Energy: 1.2518602693466891
Energy: 1.4738765391874558
Energy: 1.2947692637556336
Energy: 1.2904727921693182
Energy: 1.2947692637556336
Energy: 1.29047279216824
Energy: 1.2947692637545551
Energy: 1.29047279216824
Energy: 1.2563016361419932
Energy: 1.4538820565061117
Energy: 1.2563016361430719
Energy: 1.2917035893297348
Energy: 1.256301636140915
Energy: 1.2722799847983615
Energy: 1.2947466554262699
Energy: 1.2904534523818576
Energy: 1.2947466554273483
Energy: 1.2904534523818576
Energy: 1.2947466554273483
Energy: 1.2904534523818576

minimum gb energy = 1.2020235758179265 eV
minimum distance =  2.26159578611023 Angstroms
sigma value = 9


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

Energy: 1.2975251329702775
Energy: 1.3206303166950657
Energy: 1.2975251329693969
Energy: 1.3206303166950657
Energy: 1.2975251329702775
Energy: 1.3206303166950657
Energy: 1.3337232880709986
Energy: 1.3695902856455997
Energy: 1.3337232880718792
Energy: 1.3695902856455997
Energy: 1.333723288070118
Energy: 1.3695902856455997
Energy: 1.3497141827736787
Energy: 1.315695954108184
Energy: 1.3497141827754398
Energy: 1.315695954108184
Energy: 1.3497141827745591
Energy: 1.315695954108184
Energy: 1.2900294916218136
Energy: 1.3867893483466258
Energy: 1.2900294916209332
Energy: 1.3867893483466258
Energy: 1.2900294916209332
Energy: 1.3867893483466258
Energy: 1.5052045833204089
Energy: 1.3140519836236515
Energy: 1.50520458332217
Energy: 1.3140519836227706
Energy: 1.5052045833212895
Energy: 1.3140519836227706
Energy: 1.388171743397307
Energy: 1.38143156182582
Energy: 1.3881717433955458
Energy: 1.38143156182582
Energy: 1.3881717433964262
Energy: 1.3814315618267003
Energy: 1.2562479547739953
Energy: 1.3102876074918413
Energy: 1.256247954773115
Energy: 1.3102876074927219
Energy: 1.2562479547739953
Energy: 1.3102876074927219
Energy: 1.3651126720134308
Energy: 1.36886389440144
Energy: 1.3651126720125502
Energy: 1.36886389440144
Energy: 1.3651126720134308
Energy: 1.36886389440144
Energy: 1.430626724906089
Energy: 1.3406241092350843
Energy: 1.430626724906089
Energy: 1.3406241092350843
Energy: 1.430626724906089
Energy: 1.3406241092350843
Energy: 1.257965507909292
Energy: 1.2954244568329198
Energy: 1.2579655079101728
Energy: 1.2954244568329198
Energy: 1.257965507909292
Energy: 1.2954244568329198
Energy: 1.3415091988314691
Energy: 1.3341828680707917
Energy: 1.3415091988323498
Energy: 1.3341828680707917
Energy: 1.3415091988314691
Energy: 1.3341828680707917
Energy: 1.3243698896756722
Energy: 1.2817884862276312
Energy: 1.3243698896739107
Energy: 1.2817884862276312
Energy: 1.3243698896756722
Energy: 1.2817884862276312
Energy: 1.2914229224513556
Energy: 1.4354104421630367
Energy: 1.2914229224495943
Energy: 1.4354104421630367
Energy: 1.2914229224522362
Energy: 1.4354104421630367
Energy: 1.3985776290176803
Energy: 1.3457440216465826
Energy: 1.3985776290194414
Energy: 1.3457440216465826
Energy: 1.3985776290176803
Energy: 1.3457440216465826
Energy: 1.3412391199596967
Energy: 1.3141400057783854
Energy: 1.341239119960577
Energy: 1.3141400057783854
Energy: 1.341239119960577
Energy: 1.3141400057783854
Energy: 1.3660294238499247
Energy: 1.3099800411889206
Energy: 1.3660294238499247
Energy: 1.3099800411889206
Energy: 1.3660294238508053
Energy: 1.3099800411889206
Energy: 1.356505442783405
Energy: 1.3097754999786613
Energy: 1.3565054427816439
Energy: 1.3097754999786613
Energy: 1.3565054427825243
Energy: 1.3097754999786613
Energy: 1.4294891773822433
Energy: 1.3117971590484179
Energy: 1.4294891773822433
Energy: 1.3117971590475372
Energy: 1.4294891773822433
Energy: 1.3117971590484179
Energy: 1.3079611391916275
Energy: 1.3457218147068648
Energy: 1.3079611391898665
Energy: 1.3457218147068648
Energy: 1.3079611391907469
Energy: 1.3457218147059842
Energy: 1.3689453348102338
Energy: 1.3138442823310639
Energy: 1.3689453348084728
Energy: 1.3138442823310639
Energy: 1.3689453348102338
Energy: 1.313844282331944
Energy: 1.324967914063481
Energy: 1.2804345714401677
Energy: 1.324967914063481
Energy: 1.2804345714410483
Energy: 1.3249679140626005
Energy: 1.2804345714410483

minimum gb energy = 1.256247954773115 eV
minimum distance =  2.2344718312432 Angstroms
sigma value = 27


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

Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.1565955407049433
Energy: 1.1746052079565648
Energy: 1.1565955407049433
Energy: 1.1746052079550802
Energy: 1.156595540704201
Energy: 1.1746052079558225
Energy: 1.3374101720981961
Energy: 1.1729575713871079
Energy: 1.337410172097454
Energy: 1.1729575713878502
Energy: 1.3374101720981961
Energy: 1.1729575713923037
Energy: 1.3142303626600882
Energy: 1.3366834063147033
Energy: 1.3142303626608303
Energy: 1.3366834063095077
Energy: 1.3142303626608303
Energy: 1.3366834063087651
Energy: 1.172550091517466
Energy: 1.208817538652244
Energy: 1.1725500915167235
Energy: 1.208817538652244
Energy: 1.172550091517466
Energy: 1.2088175386515017
Energy: 1.2009252637443304
Energy: 1.3088394229779265
Energy: 1.2009252637450725
Energy: 1.3088394229779265
Energy: 1.2009252637443304
Energy: 1.3088394229779265
Energy: 1.1701835399942118
Energy: 1.1521397607077402
Energy: 1.1701835399964389
Energy: 1.1521397607077402
Energy: 1.1701835399927274
Energy: 1.1521397607084825
Energy: 1.2445455939540238
Energy: 1.3398971171149077
Energy: 1.2445455939503125
Energy: 1.3398971171149077
Energy: 1.2445455939540238
Energy: 1.3398971171149077
Energy: 1.1539841465734555
Energy: 1.3086760234337704
Energy: 1.1539841465727134
Energy: 1.3086760234330281
Energy: 1.1539841465727134
Energy: 1.3086760234330281
Energy: 1.3134282978409801
Energy: 1.151543280326551
Energy: 1.3134282978424645
Energy: 1.151543280326551
Energy: 1.3134282978409801
Energy: 1.151543280325809
Energy: 1.3139391071506252
Energy: 1.1516182962406856
Energy: 1.3139391071506252
Energy: 1.1516182962406856
Energy: 1.3139391071513677
Energy: 1.1516182962406856
Energy: 1.154008701040064
Energy: 1.3085823329171324
Energy: 1.154008701040064
Energy: 1.3085823329201014
Energy: 1.154008701040806
Energy: 1.3085823329186168
Energy: 1.2435223145133465
Energy: 1.3397316487476365
Energy: 1.2435223145178003
Energy: 1.3397316487476365
Energy: 1.2435223145178003
Energy: 1.3397316487483786
Energy: 1.170077371057533
Energy: 1.1521084508729489
Energy: 1.1700773710582755
Energy: 1.1521084508722066
Energy: 1.170077371057533
Energy: 1.1521084508722066
Energy: 1.2009280846335892
Energy: 1.3089816411904223
Energy: 1.2009280846321384
Energy: 1.3089816411911641
Energy: 1.2009280846328805
Energy: 1.3089816411904223
Energy: 1.1726728619615225
Energy: 1.2085265332483603
Energy: 1.1726728619615225
Energy: 1.2085265332476178
Energy: 1.17267286196078
Energy: 1.2085265332476178
Energy: 1.3141915376748714
Energy: 1.3367186056036253
Energy: 1.314191537677098
Energy: 1.3367186056006561
Energy: 1.3141915376778404
Energy: 1.3367186055999138
Energy: 1.3374099306153862
Energy: 1.1729589306759924
Energy: 1.3374099306153862
Energy: 1.1729589306782193
Energy: 1.3374099306146439
Energy: 1.1729589306759924
Energy: 1.1566214973299427
Energy: 1.1710710838590854
Energy: 1.1566214973321356
Energy: 1.1710710838642813
Energy: 1.1566214973306848
Energy: 1.171071083862797
Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.4354572570004902
Energy: 1.1993253138035092
Energy: 1.1565955407049433
Energy: 1.1746052079550802
Energy: 1.156595540704201
Energy: 1.1746052079543379
Energy: 1.1565955407049433
Energy: 1.1746052079573068
Energy: 1.3374101720981961
Energy: 1.1729575713908191
Energy: 1.337410172097454
Energy: 1.1729575713908191
Energy: 1.3374101720981961
Energy: 1.1729575713871079
Energy: 1.3142303626608303
Energy: 1.3366834063057962
Energy: 1.314230362659346
Energy: 1.3366834063057962
Energy: 1.3142303626600882
Energy: 1.3366834063072808
Energy: 1.1725500915182079
Energy: 1.2088175386529862
Energy: 1.1725500915182079
Energy: 1.208817538652244
Energy: 1.172550091517466
Energy: 1.208817538652244
Energy: 1.200925263746557
Energy: 1.3088394229779265
Energy: 1.2009252637458148
Energy: 1.3088394229779265
Energy: 1.2009252637458148
Energy: 1.3088394229779265

minimum gb energy = 1.151543280325809 eV
minimum distance =  2.25562295304322 Angstroms
sigma value = 19


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

Energy: 1.2845727289069806
Energy: 1.3613247279813518
Energy: 1.2845727289063398
Energy: 1.3613247279813518
Energy: 1.2845727289069806
Energy: 1.3613247279813518
Energy: 1.3403101796393238
Energy: 1.1990265209311828
Energy: 1.3403101796393238
Energy: 1.1990265209318234
Energy: 1.3403101796399643
Energy: 1.1990265209318234
Energy: 1.312095138914783
Energy: 1.2057801160597945
Energy: 1.312095138914783
Energy: 1.2057801160604351
Energy: 1.3120951389154238
Energy: 1.205780116061076
Energy: 1.2006742553063077
Energy: 1.3028382312288729
Energy: 1.2006742553069485
Energy: 1.3028382312288729
Energy: 1.200674255305667
Energy: 1.3028382312288729
Energy: 1.2665609004458422
Energy: 1.3012233332965035
Energy: 1.266560900444561
Energy: 1.3012233332965035
Energy: 1.2665609004452019
Energy: 1.3012233332965035
Energy: 1.2596040078927284
Energy: 1.2194461250357962
Energy: 1.2596040078920878
Energy: 1.2194461250357962
Energy: 1.2596040078920878
Energy: 1.2194461250357962
Energy: 1.1791998467506648
Energy: 1.3180089056725988
Energy: 1.1791998467513054
Energy: 1.3180089056725988
Energy: 1.1791998467513054
Energy: 1.3180089056725988
Energy: 1.2127770842991479
Energy: 1.3272981954360257
Energy: 1.2127770842991479
Energy: 1.3272981954360257
Energy: 1.2127770842991479
Energy: 1.3272981954360257
Energy: 1.2809914699162006
Energy: 1.1851352132832658
Energy: 1.2809914699168414
Energy: 1.1851352132832658
Energy: 1.2809914699155598
Energy: 1.1851352132839068
Energy: 1.289795941654729
Energy: 1.262274296358798
Energy: 1.2897959416540885
Energy: 1.262274296358798
Energy: 1.289795941654729
Energy: 1.262274296358798
Energy: 1.1875433541066152
Energy: 1.357614495526136
Energy: 1.1875433541059743
Energy: 1.357614495526136
Energy: 1.1875433541066152
Energy: 1.357614495526136
Energy: 1.373526052955293
Energy: 1.2001448426857337
Energy: 1.3735260529546522
Energy: 1.2001448426850931
Energy: 1.373526052955293
Energy: 1.2001448426850931
Energy: 1.30008632203773
Energy: 1.3173680838946502
Energy: 1.30008632203773
Energy: 1.3173680838946502
Energy: 1.3000863220370893
Energy: 1.3173680838946502
Energy: 1.2146570325398403
Energy: 1.2566823567459156
Energy: 1.2146570325391997
Energy: 1.2566823567459156
Energy: 1.214657032538559
Energy: 1.2566823567459156
Energy: 1.3571938354188093
Energy: 1.1758135759266084
Energy: 1.3571938354181685
Energy: 1.1758135759272492
Energy: 1.3571938354188093
Energy: 1.1758135759266084
Energy: 1.2794368597714252
Energy: 1.17544003059255
Energy: 1.2794368597714252
Energy: 1.17544003059255
Energy: 1.2794368597714252
Energy: 1.17544003059255
Energy: 1.2165497462972366
Energy: 1.3389409403605186
Energy: 1.2165497462978774
Energy: 1.3389409403605186
Energy: 1.2165497462972366
Energy: 1.3389409403605186
Energy: 1.3601950164119114
Energy: 1.3737173592269687
Energy: 1.3601950164125522
Energy: 1.373717359226328
Energy: 1.3601950164119114
Energy: 1.373717359226328
Energy: 1.2364427146078638
Energy: 1.219308051197094
Energy: 1.2364427146078638
Energy: 1.219308051197094
Energy: 1.236442714607223
Energy: 1.219308051197094
Energy: 1.191563775045267
Energy: 1.323832951708943
Energy: 1.191563775045267
Energy: 1.323832951708943
Energy: 1.1915637750459078
Energy: 1.323832951708943
Energy: 1.1521988875491667
Energy: 1.3021289446215452
Energy: 1.152198887547885
Energy: 1.3021289446215452
Energy: 1.1521988875485258
Energy: 1.3021289446215452
Energy: 1.3385469464780235
Energy: 1.2036960234948697
Energy: 1.338546946477383
Energy: 1.2036960234948697
Energy: 1.3385469464780235
Energy: 1.2036960234948697
Energy: 1.3200331094628057
Energy: 1.3632391400847188
Energy: 1.3200331094634463
Energy: 1.3632391400847188
Energy: 1.320033109462165
Energy: 1.3632391400853596
Energy: 1.2360090278429225
Energy: 1.3551175933599051
Energy: 1.2360090278429225
Energy: 1.3551175933599051
Energy: 1.2360090278435634
Energy: 1.3551175933599051
Energy: 1.3234349990481087
Energy: 1.2041133145834577
Energy: 1.3234349990481087
Energy: 1.2041133145834577
Energy: 1.323434999047468
Energy: 1.2041133145840985
Energy: 1.3662707041236701
Energy: 1.2966381729890786
Energy: 1.3662707041236701
Energy: 1.2966381729890786
Energy: 1.3662707041236701
Energy: 1.2966381729890786
Energy: 1.1743162493659671
Energy: 1.2462764533045882
Energy: 1.1743162493653265
Energy: 1.2462764533045882
Energy: 1.1743162493659671
Energy: 1.2462764533045882
Energy: 1.3173408431322537
Energy: 1.2721544246313188
Energy: 1.3173408431322537
Energy: 1.2721544246319596
Energy: 1.3173408431322537
Energy: 1.2721544246313188
Energy: 1.3443344674885211
Energy: 1.2192373425143053
Energy: 1.3443344674885211
Energy: 1.219237342514946
Energy: 1.3443344674885211
Energy: 1.2192373425143053

minimum gb energy = 1.152198887547885 eV
minimum distance =  2.23164395761989 Angstroms
sigma value = 101


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

Energy: 1.1995664162686945
Energy: 1.2599106047121318
Energy: 1.1995664162692579
Energy: 1.2599106047121318
Energy: 1.1995664162692579
Energy: 1.2599106047121318
Energy: 1.1844590571517035
Energy: 1.1727802473353581
Energy: 1.1844590571517035
Energy: 1.176203251346111
Energy: 1.18445905715114
Energy: 1.1409647037824433
Energy: 1.3343911788338305
Energy: 1.1728320319141035
Energy: 1.3343911788343938
Energy: 1.1728320319141035
Energy: 1.3343911788338305
Energy: 1.1728320319141035
Energy: 1.1066218573474003
Energy: 1.3876096741420398
Energy: 1.1066218573474003
Energy: 1.314913965907871
Energy: 1.1066218573474003
Energy: 1.314913965907871
Energy: 1.1287220195360355
Energy: 1.2522657739217322
Energy: 1.1287220195343457
Energy: 1.2522657739217322
Energy: 1.1287220195343457
Energy: 1.2522657739217322
Energy: 1.2487597983379999
Energy: 1.1794869183841274
Energy: 1.248759798338563
Energy: 1.1794869183835641
Energy: 1.248759798338563
Energy: 1.1794869183835641
Energy: 1.1409833535155836
Energy: 1.2677622768079884
Energy: 1.1409833535167098
Energy: 1.2677622768079884
Energy: 1.1409833535167098
Energy: 1.2677622768079884
Energy: 1.1248342154422535
Energy: 1.3922765285814338
Energy: 1.1248342154445063
Energy: 1.3402489215528286
Energy: 1.12483421544338
Energy: 1.3402489215528286
Energy: 1.2498545851702725
Energy: 1.157754861581139
Energy: 1.249854585171399
Energy: 1.1577548615805757
Energy: 1.2498545851697092
Energy: 1.157754861581139
Energy: 1.1298350126414465
Energy: 1.2820874843820398
Energy: 1.1298350126391934
Energy: 1.3503977330819328
Energy: 1.1298350126414465
Energy: 1.3029477421803248
Energy: 1.1054319924878666
Energy: 1.313981398420368
Energy: 1.1054319924867402
Energy: 1.313981398419805
Energy: 1.1054319924878666
Energy: 1.313981398420368
Energy: 1.34213360193486
Energy: 1.15758778639604
Energy: 1.3421336019359862
Energy: 1.15758778639604
Energy: 1.342133601935423
Energy: 1.1575877863966033
Energy: 1.3077239472143405
Energy: 1.1730150784741975
Energy: 1.307723947213214
Energy: 1.1730150784747604
Energy: 1.3077239472137774
Energy: 1.1730150784747604
Energy: 1.1840785622533492
Energy: 1.178114362789527
Energy: 1.1840785622527858
Energy: 1.2050588973912462
Energy: 1.1840785622527858
Energy: 1.2050588973912462
Energy: 1.1840800360756887
Energy: 1.2432378272569664
Energy: 1.184080036076252
Energy: 1.2432378272569664
Energy: 1.184080036076252
Energy: 1.2432378272569664
Energy: 1.3350971649830676
Energy: 1.17379700480077
Energy: 1.3350971649847574
Energy: 1.173797004801333
Energy: 1.3350971649841943
Energy: 1.17379700480077
Energy: 1.1060752788066859
Energy: 1.2892637761748977
Energy: 1.1060752788055592
Energy: 1.2892637761748977
Energy: 1.1060752788066859
Energy: 1.2892637761748977
Energy: 1.1057401732776382
Energy: 1.2516619231815305
Energy: 1.1057401732782015
Energy: 1.2516619231815305
Energy: 1.1057401732787646
Energy: 1.2516619231815305
Energy: 1.2482258274866047
Energy: 1.157738569992272
Energy: 1.2482258274855293
Energy: 1.157738569992272
Energy: 1.2482258274860925
Energy: 1.1577385699917089
Energy: 1.1414483963656505
Energy: 1.1298591650259602
Energy: 1.1414483963673403
Energy: 1.1298591650270866
Energy: 1.141448396366777
Energy: 1.1298591650270866
Energy: 1.124747316816321
Energy: 1.4084256006665345
Energy: 1.1247473168174473
Energy: 1.4084256006665345
Energy: 1.1247473168168842
Energy: 1.4084256006665345
Energy: 1.38130238562965
Energy: 1.1592077407651393
Energy: 1.38130238562965
Energy: 1.1592077407651393
Energy: 1.381302385629087
Energy: 1.1592077407651393
Energy: 1.2995495691021695
Energy: 1.1557133647924396
Energy: 1.2995495691038594
Energy: 1.1557133647924396
Energy: 1.299549569103296
Energy: 1.1557133647924396
Energy: 1.1067876121375175
Energy: 1.2354327517805712
Energy: 1.1067876121386437
Energy: 1.2354327517805712
Energy: 1.1067876121375175
Energy: 1.2354327517805712
Energy: 1.3431375023980496
Energy: 1.2287758608660775
Energy: 1.343137502399176
Energy: 1.2287758608655142
Energy: 1.3431375023980496
Energy: 1.2287758608655142
Energy: 1.3088067040156979
Energy: 1.1737185657277769
Energy: 1.3088067040156979
Energy: 1.17371856572834
Energy: 1.3088067040162612
Energy: 1.1737185657277769
Energy: 1.1844410322548138
Energy: 1.2803173655487454
Energy: 1.1844410322542505
Energy: 1.2803173655487454
Energy: 1.1844410322536871
Energy: 1.2803173655493088
Energy: 1.1819733054182526
Energy: 1.292547141922376
Energy: 1.1819733054176895
Energy: 1.292547141922376
Energy: 1.1819733054182526
Energy: 1.292547141922376
Energy: 1.2327560035308542
Energy: 1.1924506270222206
Energy: 1.2327560035308542
Energy: 1.1924506270222206
Energy: 1.2327560035314176
Energy: 1.1924506270222206
Energy: 1.1055765356643894
Energy: 1.3467361833245983
Energy: 1.1055765356626999
Energy: 1.3467361833245983
Energy: 1.1055765356638263
Energy: 1.3467361833245983
Energy: 1.1065386781864475
Energy: 1.2804397422302352
Energy: 1.106538678184758
Energy: 1.2804397422302352
Energy: 1.1065386781864475
Energy: 1.2804397422302352
Energy: 1.310853357822315
Energy: 1.158540091429337
Energy: 1.310853357822878
Energy: 1.158540091429337
Energy: 1.310853357822315
Energy: 1.158540091429337
Energy: 1.381850058212202
Energy: 1.1581902383887215
Energy: 1.3818500582105122
Energy: 1.1581902383892844
Energy: 1.3818500582116386
Energy: 1.1581902383892844

minimum gb energy = 1.1054319924867402 eV
minimum distance =  2.24533743782049 Angstroms
sigma value = 33


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

Energy: 0.020555037666182045
Energy: 1.1065108208480465
Energy: 0.020555037666650004
Energy: 1.1065108208475785
Energy: 0.020555037666650004
Energy: 1.1065108208475785
Energy: 0.023839603269007255
Energy: 0.4594484982284059
Energy: 0.023839603268591292
Energy: 0.4594484982284059
Energy: 0.023839603268591292
Energy: 0.4594484982284059
Energy: 2.1888860934351886
Energy: 0.45945831545343063
Energy: 2.1888860934360728
Energy: 0.45945831545161075
Energy: 1.1068839267967385
Energy: 0.4594583154530147
Energy: 0.023839603268591292
Energy: 0.45944849822799
Energy: 0.023839603268591292
Energy: 0.45944849822799
Energy: 0.023839603269007255
Energy: 0.45944849822799

minimum gb energy = 0.020555037666182045 eV
minimum distance =  2.48205927079649 Angstroms
sigma value = 1