Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.176897808909416
cohesive_energy=7.383914292925778
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.021375516175711096
Energy: 0.02247049037896587
Energy: 0.14951575968711428
Energy: 0.022470490379435683
Energy: 0.02247049037896587
Energy: 1.7320382536884202
Energy: 0.022470490379435683
Energy: 1.7320382536879502
Energy: 0.14951575968711428
Energy: 0.022470490379435683
Energy: 0.021375516175711096
Energy: 0.022470490379435683
Energy: 0.022470490379435683
Energy: 1.7320382536874805
Energy: 0.022470490379435683
Energy: 1.7320382536879502

minimum gb energy = 0.021375516175711096 eV
minimum distance =  2.87015772188174 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.3143993246492123
Energy: 1.4691432575267493
Energy: 1.1672220032459404
Energy: 1.4691432575267493
Energy: 1.2660945937001746
Energy: 1.3953508014688887
Energy: 1.2673626312006447
Energy: 1.395350801468319
Energy: 1.1431935670752258
Energy: 1.452136734816513
Energy: 1.2539352113372377
Energy: 1.4521367348159435
Energy: 1.2386560212765299
Energy: 1.4821251149016612
Energy: 1.2579846757946844
Energy: 1.4821251149022312
Energy: 1.24407007625311
Energy: 1.4725481695702272
Energy: 1.2442618166845067
Energy: 1.4725481695696574
Energy: 1.1871578318301836
Energy: 1.7154391182791011
Energy: 1.2294269271055214
Energy: 1.7154391182785313
Energy: 1.2695978016375797
Energy: 1.449279331787886
Energy: 1.1876462509713328
Energy: 1.449279331787316
Energy: 1.0803496799744368
Energy: 1.470101065012951
Energy: 1.2130453007138984
Energy: 1.4701010650135207
Energy: 1.2587299969655832
Energy: 1.7103601295960413
Energy: 1.2451257902339412
Energy: 1.7103601295949018
Energy: 1.2303726485729083
Energy: 1.452010432024567
Energy: 1.0580929110241712
Energy: 1.4520104320251368
Energy: 1.2537544672248881
Energy: 1.3928192961579928
Energy: 1.2588302554648012
Energy: 1.3928192961568533
Energy: 1.1809351725932389
Energy: 1.4696463133566944
Energy: 1.2521275090390702
Energy: 1.4696463133572641
Energy: 1.2677789868200855
Energy: 1.4511592859617328
Energy: 1.269754138478831
Energy: 1.4511592859617328
Energy: 1.2651922645420255
Energy: 1.4574711350332432
Energy: 1.249089856419942
Energy: 1.4574711350332432
Energy: 1.2536015084036125
Energy: 1.4759612051326187
Energy: 1.2569224566008934
Energy: 1.4759612051326187
Energy: 1.243347218696166
Energy: 1.4717784802807923
Energy: 1.2727334257182998
Energy: 1.4717784802802223
Energy: 1.2542485718449352
Energy: 1.4517954844031271
Energy: 1.1558112968300818
Energy: 1.4517954844031271
Energy: 1.266575878108668
Energy: 1.3737925364075152
Energy: 1.2666650842901634
Energy: 1.3737925364092247
Energy: 1.0756438167099813
Energy: 1.4738213802602427
Energy: 1.2572036168331961
Energy: 1.473821380259673
Energy: 1.2727324894336451
Energy: 1.2614005001613984
Energy: 1.2603292066232699
Energy: 1.2614005001591193
Energy: 1.2277704304671173
Energy: 1.451892591916035
Energy: 1.1023441965416712
Energy: 1.451892591916035
Energy: 1.2589333868235133
Energy: 1.648325761993923
Energy: 1.2432485489191787
Energy: 1.6483257619927836
Energy: 1.2423259758463516
Energy: 1.472613712758478
Energy: 1.1632200427435637
Energy: 1.472613712758478
Energy: 1.2389144916671968
Energy: 1.4558638555690873
Energy: 1.1865515193191705
Energy: 1.455863855569657
Energy: 1.187368839527267
Energy: 1.7169535116657244
Energy: 1.2703386699524686
Energy: 1.7169535116651544
Energy: 1.2474959770055498
Energy: 1.4699486720782209
Energy: 1.1635019422241388
Energy: 1.4699486720770814
Energy: 1.2499870548200565
Energy: 1.728108295773407
Energy: 1.258555739972411
Energy: 1.7281082957722673
Energy: 1.1460509894730182
Energy: 1.4493792367738523
Energy: 1.2547066849444068
Energy: 1.4493792367738523
Energy: 1.2655249989474195
Energy: 1.465375148764505
Energy: 1.2521073091683386
Energy: 1.4653751487656446
Energy: 1.2768142446402169
Energy: 1.4702655123878041
Energy: 1.1795071780757735
Energy: 1.4702655123872346
Energy: 1.274458544666816
Energy: 1.4589227237537443
Energy: 1.26677540309784
Energy: 1.4589227237526046
Energy: 1.2444857082106515
Energy: 1.4513162580418033
Energy: 1.2652263318725727
Energy: 1.4513162580412335
Energy: 1.2430912042887199
Energy: 1.483048110981838
Energy: 1.2611494355696546
Energy: 1.4830481109812683

minimum gb energy = 1.0580929110241712 eV
minimum distance =  2.60235298398642 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.409138023809239
Energy: 1.587691734908551
Energy: 1.2365350743641228
Energy: 1.5876917349079014
Energy: 1.339054266453336
Energy: 1.496653492143815
Energy: 1.339372493399469
Energy: 1.4966534921431653
Energy: 1.2250213886437682
Energy: 1.594786537124403
Energy: 1.3452410274998368
Energy: 1.594786537122454
Energy: 1.336446872582937
Energy: 1.4740071512512278
Energy: 1.252355872200682
Energy: 1.4740071512518773
Energy: 1.3367240281429018
Energy: 1.5558938090326802
Energy: 1.278368900030222
Energy: 1.5558938090320305
Energy: 1.3003523668190182
Energy: 1.560771477739117
Energy: 1.3301456953417992
Energy: 1.5607714777397668
Energy: 1.3402949875277093
Energy: 1.352837393669138
Energy: 1.300053704776575
Energy: 1.3528373936665394
Energy: 1.126849890811796
Energy: 1.5948530441004667
Energy: 1.2709777170257583
Energy: 1.5948530441011164
Energy: 1.3324397293311847
Energy: 1.362160787591803
Energy: 1.3431129595682438
Energy: 1.3621607875937518
Energy: 1.334424422445075
Energy: 1.5949741761472391
Energy: 1.1981157554592259
Energy: 1.5949741761504876
Energy: 1.340453025904922
Energy: 1.4697036788914113
Energy: 1.357245672340793
Energy: 1.4697036788927107
Energy: 1.2352996622129506
Energy: 1.569308204244089
Energy: 1.3316833135932462
Energy: 1.5693082042460378
Energy: 1.3584175906864924
Energy: 1.5553608098692089
Energy: 1.3156461924353984
Energy: 1.5553608098666103
Energy: 1.3572906718930904
Energy: 1.5552271123258252
Energy: 1.3268444523870886
Energy: 1.5552271123238761
Energy: 1.2303037749619228
Energy: 1.5695405272371532
Energy: 1.3507276023042165
Energy: 1.569540527239102
Energy: 1.340088014882386
Energy: 1.4694933420556817
Energy: 1.348138543825271
Energy: 1.4694933420576308
Energy: 1.3341573116754701
Energy: 1.5949744665846652
Energy: 1.1492052760918419
Energy: 1.5949744665814172
Energy: 1.332752951481504
Energy: 1.362532367215824
Energy: 1.3440098962578437
Energy: 1.362532367217773
Energy: 1.1267558954648171
Energy: 1.5927164537347858
Energy: 1.2712061897036866
Energy: 1.5927164537347858
Energy: 1.3410219119918874
Energy: 1.352115084933261
Energy: 1.2650073167756626
Energy: 1.352115084937159
Energy: 1.300397987087262
Energy: 1.5605242643171338
Energy: 1.3206646738999774
Energy: 1.5605242643190826
Energy: 1.3315155371737017
Energy: 1.5575816153730988
Energy: 1.3263379223352938
Energy: 1.5575816153705002
Energy: 1.3308882843069911
Energy: 1.4745886979666865
Energy: 1.348373451232929
Energy: 1.4745886979640879
Energy: 1.225302586171119
Energy: 1.59438807428073
Energy: 1.355427033273111
Energy: 1.5943880742813796
Energy: 1.3395435381255938
Energy: 1.4967803006605995
Energy: 1.338760562536578
Energy: 1.4967803006625484
Energy: 1.4091380238066404
Energy: 1.587691734908551
Energy: 1.2259777343428429
Energy: 1.5876917349072517
Energy: 1.3390542664546354
Energy: 1.496653492143815
Energy: 1.3393724934001185
Energy: 1.496653492141866
Energy: 1.2250213886431185
Energy: 1.594786537124403
Energy: 1.3309635147613084
Energy: 1.594786537122454
Energy: 1.336446872582937
Energy: 1.4740071512518773
Energy: 1.2523558722019814
Energy: 1.4740071512518773

minimum gb energy = 1.1267558954648171 eV
minimum distance =  2.59919953733481 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5137663822212597
Energy: 1.688746282169254
Energy: 1.3091801198002218
Energy: 1.688746282169254
Energy: 1.4624740508601224
Energy: 1.5861515394734234
Energy: 1.4491335798169407
Energy: 1.5861515394749337
Energy: 1.3242272502179604
Energy: 1.7407075292895324
Energy: 1.4548394752465112
Energy: 1.7407075292902874
Energy: 1.4257415720665292
Energy: 1.622512886620748
Energy: 1.3604694916248392
Energy: 1.6225128866215033
Energy: 1.3618849273397324
Energy: 1.6896722306746819
Energy: 1.427974973527699
Energy: 1.6896722306754373
Energy: 1.4242094676622787
Energy: 1.7335305015734028
Energy: 1.4630262834878898
Energy: 1.7335305015734028
Energy: 1.462878625032907
Energy: 1.4621564877694506
Energy: 1.411207689948619
Energy: 1.4621564877679403
Energy: 1.329719210545111
Energy: 1.6956306748653514
Energy: 1.2581085762828268
Energy: 1.6956306748653514
Energy: 1.410526728761031
Energy: 1.5837018990351892
Energy: 1.4633901634181687
Energy: 1.583701899034434
Energy: 1.456504284709354
Energy: 1.7342356944979138
Energy: 1.3362936085347596
Energy: 1.7342356944986688
Energy: 1.4293118101229831
Energy: 1.6890123839086972
Energy: 1.4501625666469111
Energy: 1.6890123839086972
Energy: 1.366913052869149
Energy: 1.6894762899685225
Energy: 1.457311421625681
Energy: 1.6894762899692775
Energy: 1.4547322528999194
Energy: 1.6209964980001066
Energy: 1.3348983081307069
Energy: 1.6209964980023723
Energy: 1.4096132662947511
Energy: 1.452154573330799
Energy: 1.4649802119151665
Energy: 1.452154573326268
Energy: 1.2541213625445446
Energy: 1.6888281247333163
Energy: 1.2550452229458704
Energy: 1.6888281247333163
Energy: 1.461893871686149
Energy: 1.4612610389954324
Energy: 1.3620160885763493
Energy: 1.4612610389954324
Energy: 1.2111526427458472
Energy: 1.7399529098410424
Energy: 1.2112202287375011
Energy: 1.7399529098410424
Energy: 1.3631565551189497
Energy: 1.6144336118084825
Energy: 1.426674437474715
Energy: 1.6144336118084825
Energy: 1.4227167868808934
Energy: 1.6237128453239094
Energy: 1.3618501717603182
Energy: 1.6237128449252978
Energy: 1.4612228735284891
Energy: 1.7334714219190206
Energy: 1.4552286611472407
Energy: 1.7334714219190206
Energy: 1.4746387564929446
Energy: 1.583953001043794
Energy: 1.4532842202446097
Energy: 1.5839530010445495
Energy: 1.5080131408590889
Energy: 1.6909099952377196
Energy: 1.3800592997392966
Energy: 1.690909995238475
Energy: 1.4617987205566516
Energy: 1.5999933378899243
Energy: 1.4503230392275142
Energy: 1.599993337889169
Energy: 1.3202047567960136
Energy: 1.7399410090323375
Energy: 1.4575497394195729
Energy: 1.739941009031582
Energy: 1.4513832371264315
Energy: 1.4811586368451592
Energy: 1.3612414374955852
Energy: 1.4811586368451592

minimum gb energy = 1.2111526427458472 eV
minimum distance =  2.60261151469781 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.6379035832908628
Energy: 1.635221369359664
Energy: 1.4317614812502353
Energy: 1.635221369357862
Energy: 1.5424919951540546
Energy: 1.7526240256283085
Energy: 1.5952653947745898
Energy: 1.7526240256301104
Energy: 1.4354542335706397
Energy: 1.6380067894819699
Energy: 1.5318800975460363
Energy: 1.6380067894828707
Energy: 1.6349932755727568
Energy: 1.8559286813694988
Energy: 1.381690281527122
Energy: 1.8559286813694988
Energy: 1.5842576195088258
Energy: 1.7404137117173666
Energy: 1.5473404401071689
Energy: 1.7404137117173666
Energy: 1.307391680594783
Energy: 1.8177379795927633
Energy: 1.5018407869469073
Energy: 1.8177379795936641
Energy: 1.638268852100656
Energy: 1.3815556825377648
Energy: 1.386784862876606
Energy: 1.3815556825395665
Energy: 1.4058165430339915
Energy: 1.8178106129969185
Energy: 1.375685323122705
Energy: 1.8178106129978195
Energy: 1.6332142987969578
Energy: 1.7525099395695558
Energy: 1.546000357247271
Energy: 1.752509939568655
Energy: 1.628903775651192
Energy: 1.6235706349171228
Energy: 1.4998733234809427
Energy: 1.62357063491442
Energy: 1.4758368462992761
Energy: 1.7969851806723955
Energy: 1.5312134475836325
Energy: 1.7969851806723955
Energy: 1.6329707855415028
Energy: 1.6236867071613295
Energy: 1.3816316206618802
Energy: 1.6236867071631313
Energy: 1.3089276661099432
Energy: 1.6343034034054427
Energy: 1.3570883205626858
Energy: 1.6343034034072443
Energy: 1.4841719947577678
Energy: 1.6242900651777665
Energy: 1.5924815155812904
Energy: 1.6242900651777665
Energy: 1.3089271403563394
Energy: 1.63530069893689
Energy: 1.3185557631539908
Energy: 1.6353006989350882
Energy: 1.632310690815643
Energy: 1.623651932897502
Energy: 1.3819631041857023
Energy: 1.6236519328758805
Energy: 1.4759561158770897
Energy: 1.7971445449758228
Energy: 1.4738657850669261
Energy: 1.7971445449758228
Energy: 1.6292173591158483
Energy: 1.6228371138801603
Energy: 1.501385428109303
Energy: 1.6228371138747548
Energy: 1.633577855901183
Energy: 1.752346032355828
Energy: 1.52244817185782
Energy: 1.752346032355828
Energy: 1.4059996934917953
Energy: 1.817622671897625
Energy: 1.3757950617738801
Energy: 1.817622671894922
Energy: 1.6380224678119992
Energy: 1.3817911963979437
Energy: 1.3870082956086003
Energy: 1.3817911963988445

minimum gb energy = 1.307391680594783 eV
minimum distance =  2.66639764364527 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4982016055274834
Energy: 1.937770856682263
Energy: 1.5834680456365462
Energy: 1.937770856682263
Energy: 1.4590056023797606
Energy: 1.959759072689766
Energy: 1.4238739112552268
Energy: 1.9597590726908805
Energy: 1.4267019334643607
Energy: 1.9904933548855936
Energy: 1.4232186009935202
Energy: 1.9904933548855936
Energy: 1.4946013095581525
Energy: 1.9386028312131103
Energy: 1.5239552067763644
Energy: 1.9386028312131103
Energy: 1.5261776009555175
Energy: 1.4557421328500746
Energy: 1.5627910877338076
Energy: 1.4557421328500746
Energy: 1.4239812138282326
Energy: 1.9855907288248138
Energy: 1.4314889769695913
Energy: 1.9855907288236996
Energy: 1.4242479004948403
Energy: 1.708311620187233
Energy: 1.4244743838044491
Energy: 1.708311620187233
Energy: 1.5234504428001336
Energy: 1.9342688727649935
Energy: 1.4910691668065608
Energy: 1.9342688727649935
Energy: 1.4234440330365736
Energy: 1.7254481388954976
Energy: 1.4612300410731378
Energy: 1.7254481388954976
Energy: 1.613221886458845
Energy: 1.929684771099564
Energy: 1.4264970196955642
Energy: 1.92968477109845
Energy: 1.4902705793011628
Energy: 1.937483498808131
Energy: 1.609694650610244
Energy: 1.937483498809245
Energy: 1.4245376409675838
Energy: 1.6619304584213934
Energy: 1.6187464139855754
Energy: 1.6619304584202794
Energy: 1.5574750057206692
Energy: 1.9906524791009512
Energy: 1.425349750292607
Energy: 1.9906524791009512
Energy: 1.424171782507964
Energy: 1.9371155565402913
Energy: 1.4937441995445127
Energy: 1.9371155565402913
Energy: 1.7785856513645115
Energy: 1.9364819875299197
Energy: 1.5263249967487709
Energy: 1.9364819875299197
Energy: 1.4559990466804222
Energy: 1.9315961541836297
Energy: 1.4311131425448358
Energy: 1.9315961541836297
Energy: 1.4246713955148655
Energy: 1.5618604160006386
Energy: 1.6159498293005987
Energy: 1.5618604160006386

minimum gb energy = 1.4232186009935202 eV
minimum distance =  2.6534400688182 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.7427329791218378
Energy: 1.734597439284186
Energy: 1.7424818966756077
Energy: 1.734597439284186
Energy: 1.6782012359146463
Energy: 1.691746514268826
Energy: 1.4885934421840104
Energy: 1.691746514268195
Energy: 1.572897577913835
Energy: 1.7072384199946988
Energy: 1.48824812748644
Energy: 1.707238420001009
Energy: 1.493126962926229
Energy: 1.7305053081944415
Energy: 1.6793422215059362
Energy: 1.7305053081944415
Energy: 1.6423702980900583
Energy: 1.8346927417210244
Energy: 1.5326322531935013
Energy: 1.8346927417210244
Energy: 1.5251376045287894
Energy: 1.7516430175778535
Energy: 1.5393227095559399
Energy: 1.7516430175791151
Energy: 1.4934616910306844
Energy: 1.7451225073977708
Energy: 1.6130837666180817
Energy: 1.7451225073977708
Energy: 1.5419194016265405
Energy: 1.7334257530336235
Energy: 1.5173418081246448
Energy: 1.7334257530317305
Energy: 1.5275112603698129
Energy: 1.8968009996564654
Energy: 1.6164272635249073
Energy: 1.8968009996552033
Energy: 1.6971162553814787
Energy: 1.6625704852058314
Energy: 1.4889171032486188
Energy: 1.6625704852014718
Energy: 1.4976763606330674
Energy: 1.7355804274369424
Energy: 1.578809402162819
Energy: 1.7355804274350493
Energy: 1.5220093552821263
Energy: 1.7437548918764496
Energy: 1.6417945364876076
Energy: 1.7437548918770807
Energy: 1.6621963550869747
Energy: 1.7336724545353703
Energy: 1.7366256378909184
Energy: 1.7336724545366324
Energy: 1.4882290449775242
Energy: 1.9555283360277795
Energy: 1.598382223513216
Energy: 1.9555283360271487
Energy: 1.6176008204068095
Energy: 1.7991766316708926
Energy: 1.5224386716153797
Energy: 1.7991766316715234
Energy: 1.569557428952361
Energy: 1.7320750642722096
Energy: 1.5413663062995888
Energy: 1.7320750643094385
Energy: 1.6129950165060098
Energy: 1.8347043871572033
Energy: 1.7509032292878526
Energy: 1.8347043871572033
Energy: 1.581890961941567
Energy: 1.711375029230196
Energy: 1.52492563558383
Energy: 1.711375029230196
Energy: 1.7096284420652264
Energy: 1.8013122466716684
Energy: 1.57663253421683
Energy: 1.8013122466716684
Energy: 1.710314985001935
Energy: 1.730714642415723
Energy: 1.4935593923719184
Energy: 1.7307146424150919
Energy: 1.5158584992042299
Energy: 1.7108621367370969
Energy: 1.5718078270792117
Energy: 1.710862136736466
Energy: 1.612413046399141
Energy: 1.7140015971331786
Energy: 1.6909499757963837
Energy: 1.7140015971331786
Energy: 1.648594165210844
Energy: 1.7351941365151842
Energy: 1.490946040476103
Energy: 1.7351941365107673
Energy: 1.6434053929182135
Energy: 1.83102219769673
Energy: 1.5733322470080842
Energy: 1.831022197697992
Energy: 1.7377162560331074
Energy: 1.7070144559912361
Energy: 1.5719136749793432
Energy: 1.7070144559899743
Energy: 1.692922456753498
Energy: 1.7374011510535923
Energy: 1.4926009943103082
Energy: 1.7374011510516993
Energy: 1.5319794865355851
Energy: 1.721250863023464
Energy: 1.7567877123712252
Energy: 1.7212508630240946
Energy: 1.5393994909565765
Energy: 1.7465146576525987
Energy: 1.5738091134564536
Energy: 1.7465146576488126
Energy: 1.757605323717265
Energy: 1.9404460821427987
Energy: 1.4966662639838062
Energy: 1.9404460821421676
Energy: 1.5171584246161351
Energy: 1.8979738323176392
Energy: 1.5824677515833843
Energy: 1.8979738323170083

minimum gb energy = 1.4882290449775242 eV
minimum distance =  2.54895911547633 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.4949103334916793
Energy: 1.491987397919801
Energy: 1.7704405165915014
Energy: 1.491987397919801
Energy: 1.674994611173747
Energy: 1.651847906285139
Energy: 1.4705891302642742
Energy: 1.651847906285139
Energy: 1.4963824921707933
Energy: 1.4928340005355636
Energy: 1.5104305929958095
Energy: 1.4928340005370162
Energy: 1.4961700183179536
Energy: 1.4928086538237235
Energy: 1.5102668258893837
Energy: 1.4928086538237235
Energy: 1.6747541566111048
Energy: 1.6517810497821956
Energy: 1.5377274545685677
Energy: 1.6517810497807428
Energy: 1.494910333493132
Energy: 1.491987397919801
Energy: 1.6529979117674307
Energy: 1.491987397919801
Energy: 1.6749946111722946
Energy: 1.6518479062836864
Energy: 1.5108163847375553
Energy: 1.651847906285139
Energy: 1.4963824921707933
Energy: 1.4928340005355636
Energy: 1.6802138276290899
Energy: 1.4928340005370162
Energy: 1.4961700183179536
Energy: 1.4928086538237235
Energy: 1.56996821316228
Energy: 1.4928086538237235
Energy: 1.6747541566125577
Energy: 1.6517810497821956
Energy: 1.5963264144553222
Energy: 1.6517810497807428
Energy: 1.4949103334916793
Energy: 1.491987397919801
Energy: 1.6530113305021308
Energy: 1.491987397919801
Energy: 1.674994611173747
Energy: 1.651847906285139
Energy: 1.5703679833299116
Energy: 1.651847906285139
Energy: 1.4963824921693405
Energy: 1.4928340005355636
Energy: 1.6802138276305427
Energy: 1.4928340005370162

minimum gb energy = 1.4705891302642742 eV
minimum distance =  2.64434207908171 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6474041038206961
Energy: 2.0326995973613586
Energy: 1.8773866051152728
Energy: 2.0326995973608692
Energy: 1.7770454096706465
Energy: 1.6608224170436812
Energy: 1.5992448195876505
Energy: 1.6608224170469073
Energy: 1.5303074677573905
Energy: 1.6175790152583063
Energy: 1.5728324808084502
Energy: 1.6175790152561558
Energy: 1.5941032183273902
Energy: 2.050878276046108
Energy: 1.547960016387036
Energy: 2.0508782760456192
Energy: 1.661581631874636
Energy: 1.702794617474775
Energy: 1.5794182996231236
Energy: 1.7027946174758504
Energy: 1.6217328424564321
Energy: 1.6180756180134557
Energy: 1.5693902120877237
Energy: 1.618075618012869
Energy: 1.803208073512074
Energy: 1.6914423782136991
Energy: 1.6001541457982773
Energy: 1.6914423782142853
Energy: 1.5546917637470885
Energy: 2.057075959900172
Energy: 1.6790902267220982
Energy: 2.0570759598985093
Energy: 1.534434271627278
Energy: 2.074386307304318
Energy: 1.6279193544910142
Energy: 2.074386307304318
Energy: 1.5315598945445388
Energy: 1.6556044485872756
Energy: 1.6016628111893103
Energy: 1.6556044485872756
Energy: 1.55735701020166
Energy: 2.0958242045213598
Energy: 1.7106749263848762
Energy: 2.095824204521947
Energy: 1.7624322716832683
Energy: 2.140898017115258
Energy: 1.5378567811471393
Energy: 2.1408980171157466
Energy: 1.5337354958031177
Energy: 1.8426779518063392
Energy: 1.7043589584319612
Energy: 1.8426779517849305
Energy: 1.601410989937054
Energy: 2.0647125636086416
Energy: 1.6557104110761232
Energy: 2.0647125636092283
Energy: 1.603848173170623
Energy: 1.8449149800071456
Energy: 1.6290815542990356
Energy: 1.844914980007732
Energy: 1.5385304405513465
Energy: 2.0736670226498166
Energy: 1.5779206798084175
Energy: 2.07366702264923
Energy: 1.6050648175544326
Energy: 1.8445811861689687
Energy: 1.6039080722060852
Energy: 1.8445811861694577
Energy: 1.5617748987902464
Energy: 1.6917933729571712
Energy: 1.7434422753202155
Energy: 1.6917933729565848
Energy: 1.7380195886706449
Energy: 1.841233056891034
Energy: 1.6246834871709792
Energy: 1.8412330568899584
Energy: 1.5815692821473613
Energy: 1.6829092878211631
Energy: 1.637607686658593
Energy: 1.6829092878206744
Energy: 1.6013998033870502
Energy: 2.049034566121025
Energy: 1.597132189574736
Energy: 2.0490345661199494
Energy: 1.6372560207983775
Energy: 1.7052390042706487
Energy: 1.530996202854945
Energy: 1.7052390042700618
Energy: 1.628187137598727
Energy: 1.8800782925936192
Energy: 1.5342102371676196
Energy: 1.880078292594108
Energy: 1.800362514398648
Energy: 2.0370601180439216
Energy: 1.554359157409695
Energy: 2.0370601180428465
Energy: 1.599807859549378
Energy: 2.1331947773013575
Energy: 1.8639448588683338
Energy: 2.1331947773002824
Energy: 1.5507138999300727
Energy: 1.6189678642120626
Energy: 1.5306165751385783
Energy: 1.6189678642131378
Energy: 1.60120084809986
Energy: 1.848852205805788
Energy: 1.5935700044463177
Energy: 1.8488522058047128
Energy: 1.63960694486775
Energy: 2.0508368098443706
Energy: 1.5943144685594532
Energy: 2.0508368098448595
Energy: 1.5973036127609104
Energy: 1.61876058526829
Energy: 1.5297840388967343
Energy: 1.6187605852672147
Energy: 1.5995290419276735
Energy: 1.9761729637604732
Energy: 1.8664349259661455
Energy: 1.9761729637609622
Energy: 1.8188507312126267
Energy: 2.1022281160624705
Energy: 1.5530977900104084
Energy: 2.102228116061982
Energy: 1.6307793987375576
Energy: 1.693709817188188
Energy: 1.5314554835376264
Energy: 1.6937098171876994
Energy: 1.6011048078018204
Energy: 1.7076179944332353
Energy: 1.5300962081033342
Energy: 1.7076179944332353
Energy: 1.589701296931823
Energy: 2.0504727958755957
Energy: 1.5939333787131404
Energy: 2.05047279587716
Energy: 1.5797523679722763
Energy: 1.8574474599708655
Energy: 1.802475241811881
Energy: 1.8574474599713544

minimum gb energy = 1.5297840388967343 eV
minimum distance =  2.6082048300271 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.7822994702069175
Energy: 1.7767459785277289
Energy: 1.662552594408111
Energy: 1.776745978528582
Energy: 1.7433589255346118
Energy: 1.7905647030520413
Energy: 1.6249022926579149
Energy: 1.7905647030511884
Energy: 1.566039771453691
Energy: 1.9824906297686304
Energy: 1.5892094576859512
Energy: 1.9824906297694835
Energy: 1.505831272742332
Energy: 1.9137891062211725
Energy: 1.5992129778620086
Energy: 1.9137891062203194
Energy: 1.5645320416150377
Energy: 1.7558047922539348
Energy: 1.6140953127541615
Energy: 1.755804792254788
Energy: 1.600444843815069
Energy: 1.991325671093635
Energy: 1.5979200941109226
Energy: 1.991325671093635
Energy: 1.8446004371731064
Energy: 1.8109471324656157
Energy: 1.5568828154145353
Energy: 1.8109471324656157
Energy: 1.5442188383671993
Energy: 1.6495801504882122
Energy: 1.7670426670450636
Energy: 1.6495801504882122
Energy: 1.6884797786733885
Energy: 1.6509704971996844
Energy: 1.647995555554351
Energy: 1.6509704971996844
Energy: 1.6199068822448865
Energy: 1.677903565336982
Energy: 1.6201796933930355
Energy: 1.6779035653352758
Energy: 1.5398099275083625
Energy: 1.6496020101697582
Energy: 1.6574088558150188
Energy: 1.6496020101697582
Energy: 1.686543742371879
Energy: 1.9213820764792149
Energy: 1.5045152675644837
Energy: 1.9213820764783618
Energy: 1.5993997933837985
Energy: 1.7378282272329948
Energy: 1.819001955903155
Energy: 1.7378282272338477
Energy: 1.682370266894635
Energy: 1.88733876507995
Energy: 1.603669789709852
Energy: 1.88733876507995
Energy: 1.5764083785885619
Energy: 1.8995369615403546
Energy: 1.8154242649485361
Energy: 1.8995369615395403
Energy: 1.656806242173428
Energy: 1.980858873761506
Energy: 1.544237261971211
Energy: 1.980858873761506
Energy: 1.7011205073328597
Energy: 2.0114176241168473
Energy: 1.5630097395729623
Energy: 2.0114176241159942
Energy: 1.698572213855112
Energy: 1.9150502016942004
Energy: 1.5609337229460691
Energy: 1.9150502016942004
Energy: 1.5005073051182547
Energy: 1.649667794073874
Energy: 1.5438456070980735
Energy: 1.6496677940747269
Energy: 1.6250127736938844
Energy: 1.7244662084533413
Energy: 1.9113269410756202
Energy: 1.7244662084533413
Energy: 1.7151826338142517
Energy: 1.936888825917246
Energy: 1.605631367555457
Energy: 1.9368888259180992
Energy: 1.627340525290483
Energy: 1.758893954249311
Energy: 1.7124073299457405
Energy: 1.7588939542501638

minimum gb energy = 1.5005073051182547 eV
minimum distance =  2.62179505873327 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.6938127787507522
Energy: 1.6888719015571756
Energy: 1.7410001082005584
Energy: 1.6888719015565727
Energy: 1.7853290404984958
Energy: 1.7033453895892978
Energy: 1.613935719009517
Energy: 1.7033453895874884
Energy: 1.5725301538945777
Energy: 1.9672513795692155
Energy: 1.5582145402272463
Energy: 1.9672513795661994
Energy: 1.520892683806725
Energy: 1.7890356657309776
Energy: 1.6156036874284778
Energy: 1.7890356657303748
Energy: 1.5869013543529122
Energy: 1.7227501766300912
Energy: 1.603487889077985
Energy: 1.722750176629488
Energy: 1.5770958702227784
Energy: 1.6903183566731586
Energy: 1.6541983728054201
Energy: 1.6903183566755713
Energy: 1.8301006233807195
Energy: 1.9270692026534086
Energy: 1.58797902095364
Energy: 1.9270692026461702
Energy: 1.5767905277173884
Energy: 1.6902022876456053
Energy: 1.852868371709043
Energy: 1.690202287644399
Energy: 1.7141085716668956
Energy: 1.7579849467902662
Energy: 1.610159635688008
Energy: 1.7579849467908695
Energy: 1.5825478695007424
Energy: 1.7335540487537873
Energy: 1.6892957915695426
Energy: 1.7335540487513743
Energy: 1.514901443758221
Energy: 1.9660594300488416
Energy: 1.5509180898617096
Energy: 1.9660594300470318
Energy: 1.6497430835523814
Energy: 1.7226897713955498
Energy: 1.5459765578018407
Energy: 1.7226897713931368
Energy: 1.6876476793163817
Energy: 1.6911981079631446
Energy: 1.5509518783384073
Energy: 1.6911981079655571
Energy: 1.5582202212935627
Energy: 1.6670806200595034
Energy: 1.5452485330894095
Energy: 1.6670806200552815
Energy: 1.5827712851751232
Energy: 1.8289166065708833
Energy: 1.830420456619565
Energy: 1.8289166113297053
Energy: 1.7441069158491358
Energy: 1.665117732897191
Energy: 1.6049343243827614
Energy: 1.6651177328959845
Energy: 1.5856221706099345
Energy: 1.7310000250392306
Energy: 1.7654169325101556
Energy: 1.731000025037421
Energy: 1.5880024895037714
Energy: 1.6710305275471886
Energy: 1.545525959571706
Energy: 1.6710305275459822
Energy: 1.5678889586019011
Energy: 1.9629443900717036
Energy: 1.5508204527555323
Energy: 1.9629443900711003
Energy: 1.584551080032287
Energy: 1.7229193907774367
Energy: 1.5462418286045743
Energy: 1.7229193907798492
Energy: 1.5151557183372752
Energy: 2.1774321277256075
Energy: 1.6106415111002514
Energy: 2.1774321277256075
Energy: 1.5828434709609887
Energy: 1.9578564852803206
Energy: 1.774374527737271
Energy: 1.9578537579233515
Energy: 1.757786435654011
Energy: 1.9144944837352367
Energy: 1.5821520257770347
Energy: 1.9144944837352367
Energy: 1.6987236703106703
Energy: 1.690300899411027
Energy: 1.6538089438028079
Energy: 1.6903008994116302
Energy: 1.622454805695243
Energy: 1.7225024413998122
Energy: 1.5798763475267237
Energy: 1.7225024414046375
Energy: 1.5205606750118563
Energy: 1.964567585105924
Energy: 1.5409302866332097
Energy: 1.9645675851065272
Energy: 1.5724184967436328
Energy: 1.7337235712186578
Energy: 1.6449409251490608
Energy: 1.73372357122288
Energy: 1.5216095574753468
Energy: 1.7306308965634434
Energy: 1.615421213218696
Energy: 1.7306308965628403
Energy: 1.5717004139770545
Energy: 1.6892467808866698
Energy: 1.623842451502473
Energy: 1.689246780890892
Energy: 1.8548632714538686
Energy: 1.645287864488511
Energy: 1.613473827861276
Energy: 1.6452878644897173
Energy: 1.5717322257567936
Energy: 1.6896688700912805
Energy: 1.8116937424653745
Energy: 1.6896688700882647

minimum gb energy = 1.514901443758221 eV
minimum distance =  2.6046391173982 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.5876567217401343
Energy: 1.5982812862526112
Energy: 1.5187752118697304
Energy: 1.5982812862526112
Energy: 1.4932337789612524
Energy: 1.626333761625602
Energy: 1.6275183082335416
Energy: 1.626333761625602
Energy: 1.520105683219605
Energy: 1.753678126908646
Energy: 1.4901211350454249
Energy: 1.753678126908646
Energy: 1.628872994633971
Energy: 1.6972972372594943
Energy: 1.6271667696118652
Energy: 1.6972972372656574
Energy: 1.623032445888316
Energy: 1.7001631926556615
Energy: 1.709374193514554
Energy: 1.700163192653607
Energy: 1.4212175995855227
Energy: 1.7575538440472436
Energy: 1.4212007850880508
Energy: 1.7575538440472436
Energy: 1.541717926106087
Energy: 1.6999945560081031
Energy: 1.6222825827440932
Energy: 1.6999945560101577
Energy: 1.6270182947573644
Energy: 1.6970128074430166
Energy: 1.6295481721203053
Energy: 1.6970128074450708
Energy: 1.4904823882469482
Energy: 1.7539428150969112
Energy: 1.4204188799740494
Energy: 1.7539428150969112

minimum gb energy = 1.4204188799740494 eV
minimum distance =  2.62644728522552 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.542466084032997
Energy: 1.5704035242899343
Energy: 1.4832986658696994
Energy: 1.5704035242905041
Energy: 1.8535865859444403
Energy: 1.5101121682468925
Energy: 1.466565576246505
Energy: 1.5101121682468925
Energy: 1.4486772979800897
Energy: 1.544996111347877
Energy: 1.710204556795426
Energy: 1.544996111347877
Energy: 1.4327702744231923
Energy: 1.6131592075759562
Energy: 1.5145197171336158
Energy: 1.6131592075748167
Energy: 1.4901898039201646
Energy: 1.625807688451228
Energy: 1.6945476540512563
Energy: 1.6258076884500885
Energy: 1.4798882857966629
Energy: 1.5734911894953396
Energy: 1.4825524367909646
Energy: 1.5734911894936303
Energy: 1.4487555000278034
Energy: 1.626664117186141
Energy: 1.4515697335486621
Energy: 1.6266641171867104
Energy: 1.4669222431651228
Energy: 1.5721642252898846
Energy: 1.4598121911368165
Energy: 1.572164225291594
Energy: 1.4921854180206968
Energy: 1.625770451061907
Energy: 1.4572608102337867
Energy: 1.625770451061907
Energy: 1.498803323764083
Energy: 1.6288355462758848
Energy: 1.4281490995201611
Energy: 1.6288355462764548
Energy: 1.4724956391282606
Energy: 1.606505440990937
Energy: 1.4562519790571524
Energy: 1.6065054408878063
Energy: 1.4491444323521498
Energy: 1.6433255088179206
Energy: 1.5615079391005613
Energy: 1.6433255088179206
Energy: 1.4874082344710304
Energy: 1.5717391749598346
Energy: 1.57055720052906
Energy: 1.5717391749598346
Energy: 1.5006339352625173
Energy: 1.5695146601370633
Energy: 1.828544656899927
Energy: 1.569514660138203
Energy: 1.737855985307223
Energy: 1.4926983792224073
Energy: 1.456456531039655
Energy: 1.492698379223547
Energy: 1.503140722029075
Energy: 1.5448397337453061
Energy: 1.472994979392796
Energy: 1.544839733745876
Energy: 1.6971089953612748
Energy: 1.525913349744799
Energy: 1.467412855111773
Energy: 1.5259133497459387
Energy: 1.4858973388562773
Energy: 1.5710891664369
Energy: 1.5600630865584502
Energy: 1.571089166435191
Energy: 1.485913774646252
Energy: 1.6311410220554001
Energy: 1.4647039997295173
Energy: 1.63114102205597
Energy: 1.4495270028798306
Energy: 1.9010410445934842
Energy: 1.5063707319205797
Energy: 1.9010410445946238
Energy: 1.4295302155119327
Energy: 1.608656745941674
Energy: 1.50374173678346
Energy: 1.6086567459388252
Energy: 1.497738772183139
Energy: 1.6260534732988026
Energy: 1.4859758055789978
Energy: 1.626053473298233
Energy: 1.474372247992102
Energy: 1.571235836044197
Energy: 1.4296789171103592
Energy: 1.571235836044197
Energy: 1.5664174744150121
Energy: 1.8622995889241019
Energy: 1.449516453009799
Energy: 1.8622995889292298
Energy: 1.5865261873300933
Energy: 1.5533872356327902
Energy: 1.4645223064578945
Energy: 1.5533872356316507
Energy: 1.5382822209337859
Energy: 1.5698358940065418
Energy: 1.4855597625890886
Energy: 1.5698358940059722
Energy: 1.4906164978382874
Energy: 1.4731664275976846
Energy: 1.5114300408770867
Energy: 1.4731664275959753
Energy: 1.4465510027146191
Energy: 1.4850973818369346
Energy: 1.5032725005234902
Energy: 1.4850973818357949
Energy: 1.4674602749755679
Energy: 1.506571066151356
Energy: 1.9041130758679394
Energy: 1.5065710661502165
Energy: 1.6521865136230038
Energy: 1.5709114265869222
Energy: 1.4912023966005805
Energy: 1.5709114265869222
Energy: 1.4826060038512103
Energy: 1.5222439292083514
Energy: 1.6519176131812787
Energy: 1.5222439292077818
Energy: 1.6981040824771714
Energy: 1.5531090808166705
Energy: 1.4487107343927959
Energy: 1.5531090808155312
Energy: 1.5121203845796383
Energy: 1.6081683434034952
Energy: 1.422270850481145
Energy: 1.6081683434040648

minimum gb energy = 1.422270850481145 eV
minimum distance =  2.62220969063825 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.4956357044740543
Energy: 1.4913602073051904
Energy: 1.5020645003179778
Energy: 1.4913602073067658
Energy: 1.8090000660477028
Energy: 1.4227923137078045
Energy: 1.4284224490457966
Energy: 1.4227923137085923
Energy: 1.3690936491566836
Energy: 1.4915441316696854
Energy: 1.9771457034574556
Energy: 1.4915441316688975
Energy: 1.4333153861581147
Energy: 1.565013677412459
Energy: 1.4316721515676607
Energy: 1.5650136774132468
Energy: 1.370092785380612
Energy: 1.4889636676552325
Energy: 1.7110518605696254
Energy: 1.4889636676552325
Energy: 1.3746747728121176
Energy: 1.8542546434941967
Energy: 1.4327071178601185
Energy: 1.8542546434949847
Energy: 1.3694431165756744
Energy: 1.6239485500978792
Energy: 1.4377640172544328
Energy: 1.6239485500994548
Energy: 1.3702417427856872
Energy: 1.5558870953014494
Energy: 1.4451473295708712
Energy: 1.5558870953046005
Energy: 1.4873930361890213
Energy: 1.4947165216141847
Energy: 1.4453215574126297
Energy: 1.4947165216157603
Energy: 1.4868126581562773
Energy: 1.4948319589135728
Energy: 1.4439993934961302
Energy: 1.4948319589151484
Energy: 1.370210057665976
Energy: 1.8537523729646828
Energy: 1.4455382175829192
Energy: 1.853752372963895
Energy: 1.3704076456408427
Energy: 1.6241878908695577
Energy: 1.4393167450847562
Energy: 1.624187890867194
Energy: 1.3746884066214782
Energy: 1.8539111712294654
Energy: 1.4327062405655215
Energy: 1.8539111712278895
Energy: 1.369981043125476
Energy: 1.492029701642756
Energy: 1.512468439992994
Energy: 1.492029701642756
Energy: 1.4337743314765148
Energy: 1.5649393608516242
Energy: 1.4315888139721435
Energy: 1.5649393608532
Energy: 1.369093448862039
Energy: 1.4919253002278838
Energy: 1.450442306636098
Energy: 1.4919253002278838
Energy: 1.8087441910160682
Energy: 1.4230893203734005
Energy: 1.4282016192245206
Energy: 1.4230893203741883
Energy: 1.4956357044732664
Energy: 1.4913602073051904
Energy: 1.6854391994944153
Energy: 1.4913602073067658
Energy: 1.8090000660477028
Energy: 1.4227923137062288
Energy: 1.4284224490457966
Energy: 1.4227923137093799
Energy: 1.3690936491566836
Energy: 1.4915441316696854
Energy: 1.9771457033787094
Energy: 1.4915441316681095
Energy: 1.4333153861573271
Energy: 1.5650136774132468
Energy: 1.4316721515676607
Energy: 1.5650136774132468
Energy: 1.3700927853821878
Energy: 1.488963667653657
Energy: 1.7110518605971634
Energy: 1.488963667653657
Energy: 1.3746747728121176
Energy: 1.8542546434949847
Energy: 1.4327071178601185
Energy: 1.8542546434949847
Energy: 1.3694431165756744
Energy: 1.6239485500978792
Energy: 1.4377640172544328
Energy: 1.6239485500986672

minimum gb energy = 1.369093448862039 eV
minimum distance =  2.63956733190227 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.4599204759806832
Energy: 1.4558475362220764
Energy: 1.7650032942630254
Energy: 1.455847536217207
Energy: 1.8901345612259477
Energy: 1.4387612650920691
Energy: 1.390677935828827
Energy: 1.4387612650920691
Energy: 1.3967645959465573
Energy: 1.4317472801552857
Energy: 1.7611667498454227
Energy: 1.431747280160155
Energy: 1.4188281130783478
Energy: 1.3861440138707215
Energy: 1.3888041174110823
Energy: 1.3861440138755907
Energy: 1.3689663936334806
Energy: 1.5385307410875197
Energy: 1.7548244362974965
Energy: 1.5385307410875197
Energy: 1.3528222784350357
Energy: 1.9328568525691996
Energy: 1.4181207149083712
Energy: 1.9328568525740688
Energy: 1.3930725126924206
Energy: 1.5106972308196773
Energy: 1.4657345235280943
Energy: 1.5106972308196773
Energy: 1.367000805490492
Energy: 1.711007773623276
Energy: 1.368796690489664
Energy: 1.711007773623276
Energy: 1.449742854605377
Energy: 1.7188580376051816
Energy: 1.4243006734348924
Energy: 1.7188580376051816
Energy: 1.4553306064227318
Energy: 1.4922112220963522
Energy: 1.3931203182517498
Energy: 1.4922112220963522
Energy: 1.3973833704595346
Energy: 1.4519367680151802
Energy: 1.3694857464144665
Energy: 1.4519367680151802
Energy: 1.4008636383661996
Energy: 1.4982399278580045
Energy: 1.3685443017698204
Energy: 1.4982399278580045
Energy: 1.3509036603539346
Energy: 1.7015872793017965
Energy: 1.3920834385104166
Energy: 1.7015872793017965
Energy: 1.3664939313905151
Energy: 1.5366431847388662
Energy: 1.4833542632440975
Energy: 1.5366431847388662
Energy: 1.3679309987949673
Energy: 1.6885377898398444
Energy: 1.4680407973880216
Energy: 1.6885377898398444
Energy: 1.396925295955543
Energy: 1.4318750386633319
Energy: 1.746224394583543
Energy: 1.4318750386682013
Energy: 1.4126916758373929
Energy: 1.6915644742066902
Energy: 1.3918706330833035
Energy: 1.6915644742066902
Energy: 1.3868356557159751
Energy: 1.4567269594570518
Energy: 1.38358854714614
Energy: 1.4567269594570518
Energy: 1.6147383976634804
Energy: 1.5037083224445158
Energy: 1.3987110782623502
Energy: 1.5037083224347771
Energy: 1.4205034061001691
Energy: 1.4304709550411392
Energy: 1.595816637826754
Energy: 1.4304709550411392
Energy: 1.922685204315897
Energy: 1.4201673290725674
Energy: 1.389443012624326
Energy: 1.4201673290725674
Energy: 1.3896340124895172
Energy: 1.4573448889474203
Energy: 1.9129415977731838
Energy: 1.45734488895229
Energy: 1.5932494798816186
Energy: 1.4151339417273465
Energy: 1.421812313803751
Energy: 1.4151339417224773
Energy: 1.3981046669171442
Energy: 1.5109362441122836
Energy: 1.624092110975955
Energy: 1.5109362441122836
Energy: 1.4098214871324304
Energy: 1.4571948949485265
Energy: 1.3873899537679781
Energy: 1.4571948949485265
Energy: 1.3928455929931705
Energy: 1.5400555279044668
Energy: 1.4149619433149858
Energy: 1.5400555279044668
Energy: 1.5757482996070393
Energy: 1.4823591120109598
Energy: 1.397912970225606
Energy: 1.4823591120109598
Energy: 1.472847658106148
Energy: 1.6883765894930913
Energy: 1.3725068854028677
Energy: 1.6883765894930913
Energy: 1.4804370532036444
Energy: 1.5366462963843104
Energy: 1.3712470322194785
Energy: 1.5366462963843104
Energy: 1.3939350295800264
Energy: 1.7015399995258924
Energy: 1.419946453748863
Energy: 1.7015399995258924
Energy: 1.367531392532695
Energy: 1.5372622270157446
Energy: 1.3986060580361894
Energy: 1.5372622270157446
Energy: 1.3704289516884685
Energy: 1.6751212303498555
Energy: 1.3955568893138908
Energy: 1.6751212303498555
Energy: 1.3985454333162743
Energy: 1.4927406609237672
Energy: 1.6232797067314917
Energy: 1.4927406609237672
Energy: 1.4262599699029181
Energy: 1.7166879272195266
Energy: 1.4240401487872552
Energy: 1.7166879272195266
Energy: 1.3676587606771862
Energy: 1.45830450514686
Energy: 1.4079344796544973
Energy: 1.45830450514686
Energy: 1.4564720971858955
Energy: 1.5119228987540407
Energy: 1.392186433356301
Energy: 1.5119228987540407
Energy: 1.4219853145003936
Energy: 1.7051273359050445
Energy: 1.3473404498933184
Energy: 1.7051273359050445
Energy: 1.7491181132901146
Energy: 1.54025812675391
Energy: 1.3892694665489105
Energy: 1.54025812675391

minimum gb energy = 1.3473404498933184 eV
minimum distance =  2.62766815459473 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2731376186383425
Energy: 1.270532994426325
Energy: 1.2234039029975268
Energy: 1.2705329944250507
Energy: 1.2762559389623183
Energy: 1.32697124343586
Energy: 1.2813238767575619
Energy: 1.326971243434586
Energy: 1.280579151810449
Energy: 1.5007880644397233
Energy: 1.822181083787325
Energy: 1.5007880644397233
Energy: 1.238680188604148
Energy: 1.326962438210379
Energy: 1.2816592965467741
Energy: 1.326962438210379
Energy: 1.2801291643020434
Energy: 1.3812620503012165
Energy: 2.1009077971657955
Energy: 1.3812620503012165
Energy: 1.2719295504609618
Energy: 1.2729124356884913
Energy: 1.2774380213222367
Energy: 1.2729124356872172
Energy: 1.279828847928358
Energy: 1.5008751007730228
Energy: 1.2826958581421004
Energy: 1.5008751007742969
Energy: 1.2175798799649045
Energy: 1.392681940494162
Energy: 1.2808006683667377
Energy: 1.392681940492888
Energy: 1.2798937068936953
Energy: 1.3822903230190202
Energy: 1.2284045427365453
Energy: 1.3822903230190202
Energy: 1.3265315742048451
Energy: 1.2688225625743057
Energy: 1.27018172203837
Energy: 1.2688225625513725
Energy: 1.2665880282544364
Energy: 1.3283614267740727
Energy: 1.280723746419601
Energy: 1.3283614267740727
Energy: 1.2666145651548317
Energy: 1.5052882046401315
Energy: 1.2813329336296493
Energy: 1.5052882046401315
Energy: 1.2730552905483996
Energy: 1.2740217979350887
Energy: 1.239118734844956
Energy: 1.2740217979338144
Energy: 1.2736116508159443
Energy: 1.3790408493912711
Energy: 1.2730987390222814
Energy: 1.3790408493912711
Energy: 1.2359009944013577
Energy: 1.274048630888043
Energy: 1.2729465392926569
Energy: 1.2740486308893169

minimum gb energy = 1.2175798799649045 eV
minimum distance =  2.65772607853987 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.235415541521549
Energy: 1.177874763365112
Energy: 1.500636812549047
Energy: 1.1778747633672482
Energy: 1.811621308208334
Energy: 1.2157896914092652
Energy: 1.1554794368053585
Energy: 1.2157896914097508
Energy: 1.1810678608420393
Energy: 1.1778400753816947
Energy: 1.4223852768765548
Energy: 1.1778400753907246
Energy: 1.1875735026797554
Energy: 1.2157904619318358
Energy: 1.1509593295142793
Energy: 1.2157904619334865
Energy: 1.190801998283641
Energy: 1.2597988803363385
Energy: 1.1881143294407008
Energy: 1.2597988803470188
Energy: 1.3938866740103768
Energy: 1.2153186827348283
Energy: 1.1969645425755788
Energy: 1.2153186827331777
Energy: 1.1907769936437567
Energy: 1.2691747096135773
Energy: 1.7033321029641404
Energy: 1.2691747096167816
Energy: 1.1349112164158068
Energy: 1.2162728234253926
Energy: 1.1970722904987268
Energy: 1.2162728234264604
Energy: 1.1908927583866722
Energy: 1.2669579026890045
Energy: 1.496059777545324
Energy: 1.2669579026948303
Energy: 1.4182737259963552
Energy: 1.2958276019883728
Energy: 1.1512398879414718
Energy: 1.295827601991577
Energy: 1.1910655955196365
Energy: 1.297116562194388
Energy: 1.1586512339723019
Energy: 1.29711656219866
Energy: 1.599965120419973
Energy: 1.2957197268272758
Energy: 1.1566154949579937
Energy: 1.2957197268294116
Energy: 1.2453958302228927
Energy: 1.2039434786413163
Energy: 1.153137418847285
Energy: 1.203943478641802
Energy: 1.6288044443818193
Energy: 1.296095183137834
Energy: 1.1574059909090515
Energy: 1.296095183132979
Energy: 1.1916249090299076
Energy: 1.1778612142180584
Energy: 1.150449494647522
Energy: 1.1778612142180584
Energy: 1.1854475459546918
Energy: 1.2971502035401226
Energy: 1.1599687084526547
Energy: 1.2971502035422586
Energy: 1.1779997913778224
Energy: 1.1761934757634325
Energy: 1.156612880339241
Energy: 1.1761934757634325
Energy: 1.1746039308289513
Energy: 1.26429840167617
Energy: 1.2066214366055374
Energy: 1.2642984016735486
Energy: 1.178424051702351
Energy: 1.2654829414093507
Energy: 1.2070571064413997
Energy: 1.2654829413377933
Energy: 1.1783329698261273
Energy: 1.265920476056478
Energy: 1.2063823171752357
Energy: 1.2659204760549245
Energy: 1.1744627910551928
Energy: 1.2646031741149488
Energy: 1.206191644496667
Energy: 1.2646031741096089
Energy: 1.1781998355605106
Energy: 1.17574462358651
Energy: 1.157007915703917
Energy: 1.1757446235860247
Energy: 1.1857986803212013
Energy: 1.2975142815437748
Energy: 1.1596554509104924
Energy: 1.2975142815448426
Energy: 1.1916297945502319
Energy: 1.1780425237311458
Energy: 1.1430657960443389
Energy: 1.1780425237322139
Energy: 1.6285885898176677
Energy: 1.2962020153346647
Energy: 1.1570062618481665
Energy: 1.2962020153320433
Energy: 1.2449941349805047
Energy: 1.2039416395001785
Energy: 1.159466323906071
Energy: 1.203941639498625
Energy: 1.5997219361933674
Energy: 1.295664740196623
Energy: 1.1568712265716163
Energy: 1.295664740199342
Energy: 1.1911278044180365
Energy: 1.2970030871967562
Energy: 1.1600495647249218
Energy: 1.297003087198407
Energy: 1.4182807507499486
Energy: 1.2958599784212632
Energy: 1.1512185704609788
Energy: 1.2958599784185445
Energy: 1.1909893844325177
Energy: 1.2669771420768556
Energy: 1.5904114240573937
Energy: 1.2669771420747193
Energy: 1.1346261101970663
Energy: 1.216550421416432
Energy: 1.1970826327361348
Energy: 1.216550421416432
Energy: 1.1909975592848325
Energy: 1.2697056535379838
Energy: 1.798242916648397
Energy: 1.2697056535353626
Energy: 1.3935631146418839
Energy: 1.2150998554448802
Energy: 1.1970127196293674
Energy: 1.2150998554410937
Energy: 1.1908577240258227
Energy: 1.2597540181589317
Energy: 1.1882449074036594
Energy: 1.2597540181604852
Energy: 1.1876405821971312
Energy: 1.216028624995409
Energy: 1.1510205625668617
Energy: 1.2160286249975452

minimum gb energy = 1.1346261101970663 eV
minimum distance =  2.67221145019896 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.350359984854664
Energy: 1.1591803520340305
Energy: 1.6965279715044306
Energy: 1.1591803520349495
Energy: 1.9797787521255312
Energy: 1.1205260097372585
Energy: 1.037672445886052
Energy: 1.1205260097372585
Energy: 1.094512593746556
Energy: 1.556006577277186
Energy: 1.4850909967740915
Energy: 1.556006577277186
Energy: 1.2347844847790532
Energy: 1.1203637322629283
Energy: 1.0600232487642716
Energy: 1.1203637322620095
Energy: 1.0574748015709006
Energy: 1.1189854435590438
Energy: 1.0771933565727907
Energy: 1.1189854435590438
Energy: 1.0213038630424305
Energy: 1.119440873951553
Energy: 1.2517052555165589
Energy: 1.1194408739506343
Energy: 1.0616453858808805
Energy: 1.5957987051888995
Energy: 1.6489603816681255
Energy: 1.5957987051888995
Energy: 1.033090316226411
Energy: 1.1224675110772158
Energy: 1.1283243583795082
Energy: 1.1224675110772158
Energy: 1.0376158901560277
Energy: 1.119124284764062
Energy: 1.4345210055016335
Energy: 1.1191242847649805
Energy: 1.5241155661216836
Energy: 1.2358191060938761
Energy: 1.251885697742059
Energy: 1.2358191060947947
Energy: 1.0810259734510783
Energy: 1.2218892722431443
Energy: 1.2475682096039906
Energy: 1.2218892722431443
Energy: 1.5524787994144644
Energy: 1.119462827379645
Energy: 1.0603089501945948
Energy: 1.1194628273805634
Energy: 1.2526542377218202
Energy: 1.119310661513475
Energy: 1.0197081371669112
Energy: 1.119310661512556
Energy: 1.6496947349022448
Energy: 1.1821443004786214
Energy: 1.0322852648118432
Energy: 1.1821443004786214
Energy: 1.3507242341281618
Energy: 1.182584404375294
Energy: 1.0333121228722004
Energy: 1.182584404375294
Energy: 1.3493294466514811
Energy: 1.1197801366468767
Energy: 1.0414942498207798
Energy: 1.1197801366450395
Energy: 1.253000745186631
Energy: 1.2379423392441415
Energy: 0.9971987117441912
Energy: 1.237942339245979
Energy: 1.2488140746351672
Energy: 1.2222327812435372
Energy: 1.0552846767539772
Energy: 1.2222327812453748
Energy: 1.0557445836574284
Energy: 1.1212611582870684
Energy: 1.0505026639901376
Energy: 1.1212611582861494
Energy: 1.050812834277929
Energy: 1.1185997347407803
Energy: 1.2521697639289726
Energy: 1.118599734739862

minimum gb energy = 0.9971987117441912 eV
minimum distance =  2.6857922861972 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.0095825776462615
Energy: 0.9332006271819525
Energy: 0.8639106285931569
Energy: 0.9332006271826698
Energy: 1.7944089028421342
Energy: 0.9679781847633155
Energy: 0.9403995196300609
Energy: 0.9679781847647503
Energy: 0.9345635979758987
Energy: 0.9324720313688535
Energy: 1.2031389287540235
Energy: 0.9324720313688535
Energy: 1.2067243905637337
Energy: 0.967863636239307
Energy: 0.9401264728234084
Energy: 0.967863636239307
Energy: 0.9396136753616942
Energy: 0.968003802397954
Energy: 0.8799380085933493
Energy: 0.968003802397954
Energy: 0.882476384278037
Energy: 0.9679501838131779
Energy: 0.940473325897956
Energy: 0.9679501838145474
Energy: 0.9436079178430264
Energy: 0.932049991831464
Energy: 1.207302493711371
Energy: 0.9320499918307464
Energy: 1.201246693918564
Energy: 1.006540255776824
Energy: 0.9357161708009206
Energy: 1.0065402557775416
Energy: 0.9401824744039092
Energy: 0.9679128658238734
Energy: 1.4941135391174187
Energy: 0.9679128658274604
Energy: 0.8819444807565876
Energy: 0.9328029903242241
Energy: 1.0105015954333678
Energy: 0.9328029903249416
Energy: 0.9395435287634465
Energy: 0.9322200144213021
Energy: 1.5393081531808304
Energy: 0.9322200144213021
Energy: 1.2870598481536197
Energy: 1.3958230616175458
Energy: 0.9357475411144283
Energy: 1.3958230615817397
Energy: 0.9395846392736457
Energy: 0.9683228138655181
Energy: 1.2075178294530353
Energy: 0.9683228138626484
Energy: 1.3123977901554449
Energy: 1.330905361789871
Energy: 0.9400766262976801
Energy: 1.330905361789871
Energy: 0.9395488338896467
Energy: 0.9322085202273642
Energy: 0.8824569098997788
Energy: 0.932208520228799
Energy: 1.2905190862032871
Energy: 1.3962633795865014
Energy: 0.942157713004531
Energy: 1.3962633795857837
Energy: 0.9401785364709518
Energy: 1.006259215053225
Energy: 0.8663808795248198
Energy: 1.0062592150539424
Energy: 1.2674341932275413
Energy: 0.9677937101417439
Energy: 0.9410732451661297
Energy: 0.9677937101417439
Energy: 1.0141867071982276
Energy: 0.9322123882342016
Energy: 0.8822718654886765
Energy: 0.9322123882349189
Energy: 1.5339385108198922
Energy: 1.1016577850712348
Energy: 0.9422447154814477
Energy: 1.1016577850726694
Energy: 0.9405227831291187
Energy: 1.3945591817314353
Energy: 0.8571696408363432
Energy: 1.3945591817314353
Energy: 0.9303652253793976
Energy: 0.9676993450655222
Energy: 0.9411518973831717
Energy: 0.9676993450662398
Energy: 0.940178803412629
Energy: 1.3294386389071973
Energy: 1.310671828601524
Energy: 1.3294386389071973
Energy: 0.8818996264598232
Energy: 1.1017444927828366
Energy: 0.9420699347674726
Energy: 1.1017444927842717
Energy: 0.9347402906361933
Energy: 1.3947285493822594
Energy: 1.2887977228200191
Energy: 1.394728549382977
Energy: 0.881237188753934
Energy: 1.006971419783099
Energy: 0.9399625153155676
Energy: 1.0069714197845336

minimum gb energy = 0.8571696408363432 eV
minimum distance =  2.69521172838708 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.3709045263358974
Energy: 0.8588052078616905
Energy: 0.773765950042647
Energy: 0.8588052078622787
Energy: 1.7807163897814982
Energy: 0.8338402117375173
Energy: 0.8157593515876154
Energy: 0.8338402117398699
Energy: 0.8586261508237731
Energy: 0.8128861481131189
Energy: 1.0443194353829763
Energy: 0.8128861481137071
Energy: 1.3377655367834527
Energy: 0.8338868024961765
Energy: 0.8160119018230032
Energy: 0.8338868024973528
Energy: 0.8122048923010367
Energy: 0.8853302662964484
Energy: 0.8000808962627863
Energy: 0.8853302662946839
Energy: 1.053880872513643
Energy: 0.8333479802771455
Energy: 0.8157003189190408
Energy: 0.8333479802765572
Energy: 0.8149671788494398
Energy: 0.8335462215874225
Energy: 1.1664574664907545
Energy: 0.8335462215868344
Energy: 0.7805291928441469
Energy: 0.8575081582702311
Energy: 0.8128665323663844
Energy: 0.8575081582702311
Energy: 0.8179231678590239
Energy: 0.8614714058310009
Energy: 1.371456505434213
Energy: 0.8614714058304127
Energy: 1.055160431552039
Energy: 0.8117531663494246
Energy: 0.8594368378913019
Energy: 0.8117531663494246
Energy: 0.8150576722555752
Energy: 0.8338117842248285
Energy: 1.563798909760619
Energy: 0.8338117842248285
Energy: 0.7808545599128055
Energy: 0.8575126955666167
Energy: 1.3678137127200796
Energy: 0.8575126955660286
Energy: 0.8178013574097419
Energy: 0.8623724805637298
Energy: 1.563937066964588
Energy: 0.8623724805649062
Energy: 1.1434029600872881
Energy: 0.937619065976455
Energy: 0.8593999687977134
Energy: 0.937619065976455
Energy: 0.8153801602198062
Energy: 0.833954273632049
Energy: 1.3342651455299923
Energy: 0.8339542736344017
Energy: 1.1501690871474406
Energy: 0.8577045316186237
Energy: 0.8129546493039767
Energy: 0.8577045315404509
Energy: 0.8178147352113173
Energy: 0.8608598133251018
Energy: 1.0687628443979083
Energy: 0.8608598131798776
Energy: 1.1360523157908713
Energy: 0.9385137093237333
Energy: 0.8159533080458716
Energy: 0.9385137094565524
Energy: 0.8152531529252939
Energy: 0.8575355712346686
Energy: 0.7808513407052403
Energy: 0.8575355712340805
Energy: 1.1682293518591838
Energy: 0.8578781295988624
Energy: 0.8211439111767043
Energy: 0.8578781295941571
Energy: 0.8620444703883278
Energy: 0.8593082480819766
Energy: 0.7738630904749341
Energy: 0.8593082477657025
Energy: 1.5650361964775839
Energy: 0.8841573246499492
Energy: 0.8162089222695215
Energy: 0.8841573246528901
Energy: 1.3630694702855306
Energy: 0.8574447638666925
Energy: 0.7962525091967242
Energy: 0.8574447638678689
Energy: 1.3769601731903964
Energy: 0.8594123743138649
Energy: 0.8211357505231771
Energy: 0.8594123743103358
Energy: 0.8621004822468176
Energy: 0.9356390166541015
Energy: 0.7698515647553275
Energy: 0.9356390166441562
Energy: 1.3299843294151243
Energy: 0.8845786259825725
Energy: 0.8159653432017483
Energy: 0.8845786259872778
Energy: 0.8152791008852065
Energy: 0.8576648109340472
Energy: 1.1468611577342438
Energy: 0.8576648109352235
Energy: 0.8105519120337168
Energy: 0.8612910496865905
Energy: 0.8212495553464388
Energy: 0.8612910496995301
Energy: 0.818095168124151
Energy: 0.93668421841921
Energy: 1.133385685624595
Energy: 0.9366842184139165
Energy: 0.7929607117034638
Energy: 0.9172563118099453
Energy: 0.8190907825435281
Energy: 0.9172563114900887
Energy: 0.8214958549319668
Energy: 0.8575118252354474
Energy: 1.1652862997684619
Energy: 0.8575118252372119
Energy: 0.7804229376943065
Energy: 0.8620247044048235
Energy: 0.8664711154354358
Energy: 0.8620247044042353

minimum gb energy = 0.7698515647553275 eV
minimum distance =  2.68469985875691 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.2356096626212976
Energy: 0.761563525651019
Energy: 0.7229863124064341
Energy: 0.7615635256515626
Energy: 1.7709437514727036
Energy: 0.7605775294343337
Energy: 0.7607945115346406
Energy: 0.7605775294363268
Energy: 0.7954923014707708
Energy: 0.7583165452372911
Energy: 1.460760807519783
Energy: 0.7583165452382877
Energy: 1.383461487907874
Energy: 0.759635635309797
Energy: 0.7601162354999188
Energy: 0.7596356353102501
Energy: 0.7575676984318197
Energy: 1.1013963652200864
Energy: 0.7319151935319054
Energy: 1.1013963652255223
Energy: 1.188933706524941
Energy: 0.7601362586721259
Energy: 0.7603245279387605
Energy: 0.7601362589325805
Energy: 0.7598424559121751
Energy: 0.7765273955807881
Energy: 1.0647978537272298
Energy: 0.7765273955773455
Energy: 0.9596345712915754
Energy: 0.776952002783227
Energy: 0.7601561202005416
Energy: 0.776952002785673
Energy: 0.7620402377691465
Energy: 0.7779903863171437
Energy: 1.244127121156128
Energy: 0.7779903863181401
Energy: 0.7258910794418588
Energy: 0.759829519574928
Energy: 0.7581769784256244
Energy: 0.7598295195709419
Energy: 0.759910456589884
Energy: 0.7593880156294115
Energy: 1.4496298758668629
Energy: 0.7593880157290637
Energy: 0.7245689642980422
Energy: 0.7582266134108984
Energy: 0.7962749289264659
Energy: 0.7582266134144314
Energy: 0.7615064086998369
Energy: 0.7777483842670695
Energy: 1.6774580759467743
Energy: 0.7777483842705121
Energy: 0.7260881492132196
Energy: 0.7584881443838696
Energy: 1.2331410044310198
Energy: 0.7584881443848661
Energy: 0.7598048296113659
Energy: 0.7593948193083707
Energy: 1.580918151231045
Energy: 0.7593948193068306
Energy: 1.0347369197323146
Energy: 0.7577508416066403
Energy: 0.7963735039620733
Energy: 0.7577508416031978
Energy: 0.7618264336710758
Energy: 0.7769895057294384
Energy: 1.3792085643152898
Energy: 0.7769895057298913
Energy: 1.0310448946536743
Energy: 1.09787666109455
Energy: 0.7585127647673489
Energy: 1.097876661095003
Energy: 0.7597939838998078
Energy: 0.7592787791196427
Energy: 1.184917455620732
Energy: 0.7592787791201864
Energy: 1.0214245881368287
Energy: 0.7598286278140687
Energy: 0.7604557182858507
Energy: 0.7598286278150652
Energy: 0.7615616847371378
Energy: 0.7964815849540997
Energy: 0.9588858130749393
Energy: 0.7964815849525596
Energy: 1.0423807446788054
Energy: 0.7772533961739492
Energy: 0.7639797630653778
Energy: 0.7772533961754893
Energy: 0.7594835007696636
Energy: 0.758869381323525
Energy: 0.7278597369656723
Energy: 0.7588693813240686
Energy: 1.4452920696746772
Energy: 0.7588435762092534
Energy: 0.760439764073361
Energy: 0.7588435762405985
Energy: 0.7976799784057337
Energy: 0.7963269867499552
Energy: 0.7173032790427857
Energy: 0.7963269864362319
Energy: 1.4099667102517441
Energy: 0.7764206665221275
Energy: 0.7640582697196437
Energy: 0.7764206665256607
Energy: 1.2309572581818793
Energy: 0.7577381607036847
Energy: 0.7259562753027763
Energy: 0.7577381607031413
Energy: 1.5761251067073736
Energy: 0.7592953618272128
Energy: 0.7605110091743228
Energy: 0.7592953618122651
Energy: 0.7980049272480588
Energy: 1.4171721105491533
Energy: 0.7050358240135682
Energy: 1.4171721105487
Energy: 1.2147899576996397
Energy: 0.7760617172206858
Energy: 0.7641178816517263
Energy: 0.776061717220233
Energy: 0.7595864532857416
Energy: 1.3863913205493672
Energy: 1.0292826486284177
Energy: 1.3863913205498202
Energy: 1.182117812444924
Energy: 0.7589017501152419
Energy: 0.7604185471089849
Energy: 0.758901750116782
Energy: 0.761805294097071
Energy: 1.4173211740929759
Energy: 1.019767841955865
Energy: 1.4173211740925231
Energy: 0.753569379052331
Energy: 0.796614799324948
Energy: 0.764259429080454
Energy: 0.7966147994101055
Energy: 0.7472508259348327
Energy: 1.385484089080776
Energy: 1.0399056315715212
Energy: 1.3854840890817726
Energy: 0.7227247880569838
Energy: 0.759190944569185
Energy: 0.7626301681996553
Energy: 0.7591909445727181
Energy: 0.7621752676140221
Energy: 1.416394649506465
Energy: 1.4409065960938996
Energy: 1.4163946495070088

minimum gb energy = 0.7050358240135682 eV
minimum distance =  2.57494907459181 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.1832571373384222
Energy: 0.7485061663042715
Energy: 0.8900397633157447
Energy: 0.7485061663060001
Energy: 1.752717831295365
Energy: 0.7461280596935312
Energy: 0.6923300387225596
Energy: 0.7461280596913704
Energy: 1.1361070592512221
Energy: 0.7454621020390433
Energy: 0.8904497120108745
Energy: 0.7454621020394754
Energy: 1.3885591613084962
Energy: 0.7458886673585173
Energy: 0.6922394431832246
Energy: 0.7458886673580851
Energy: 0.7455450424204735
Energy: 0.690618653524628
Energy: 0.6063345105460827
Energy: 0.6906186535237637
Energy: 1.212814348406509
Energy: 0.7454889468085918
Energy: 0.6925194666324113
Energy: 0.7454889468107525
Energy: 0.6908342642142288
Energy: 0.7725055687917606
Energy: 0.662142461452768
Energy: 0.7725055687913284
Energy: 1.0350864214118984
Energy: 0.7444033872374094
Energy: 0.6924442698422278
Energy: 0.7444033872361129
Energy: 0.692103959005602
Energy: 0.7171347072854014
Energy: 0.8742979222906119
Energy: 0.7171347072854014
Energy: 0.821468233910355
Energy: 0.7729055539945586
Energy: 0.6910443024334705
Energy: 0.7729055539949907
Energy: 0.6931935760514454
Energy: 0.7457190685484743
Energy: 1.3083678232605698
Energy: 0.7457190685484743
Energy: 0.6049957609396501
Energy: 0.7459114992687275
Energy: 0.7459076191876506
Energy: 0.745911499248849
Energy: 0.6920445188267874
Energy: 0.7171026435359981
Energy: 1.463478072191605
Energy: 0.7171026435359981
Energy: 0.5961379820878047
Energy: 0.7456515424767923
Energy: 1.1335167811988798
Energy: 0.7456515424763601
Energy: 0.693359518287832
Energy: 0.7464332063252976
Energy: 1.5721855812032521
Energy: 0.7464332063244333
Energy: 0.6049852234040328
Energy: 0.744514862899931
Energy: 1.1816833223922045
Energy: 0.7445148629007952
Energy: 0.6921723710176468
Energy: 0.7175867010558159
Energy: 1.5721574711484423
Energy: 0.7175867010558159
Energy: 0.8838126355795044
Energy: 0.7456936644643358
Energy: 1.1336126481102333
Energy: 0.7456936644652001
Energy: 0.6933617536700385
Energy: 0.7459411093007027
Energy: 1.3886451767669736
Energy: 0.745941109301567
Energy: 0.8819252686376065
Energy: 1.0529327940052804
Energy: 0.7459100473750663
Energy: 1.0529327940052804
Energy: 0.6922394148256236
Energy: 0.7178254147009124
Energy: 1.2124978792443661
Energy: 0.7178254147004803
Energy: 0.8757234848012959
Energy: 0.7457038062897691
Energy: 0.6913206117739843
Energy: 0.7457038062914976
Energy: 0.693294762251633
Energy: 0.7448707205290984
Energy: 1.0350662425579706
Energy: 0.7448707205282341
Energy: 0.9125213659910295
Energy: 0.7726093339772712
Energy: 0.6924603063858983
Energy: 0.7726093339820247
Energy: 0.6923980194122026
Energy: 0.7444873360475157
Energy: 0.8212896608433502
Energy: 0.7444873360475157
Energy: 1.2774374607182726
Energy: 0.7454668950012846
Energy: 0.6948913481891698
Energy: 0.7454668950215954
Energy: 0.7474733383398241
Energy: 0.7446106730330682
Energy: 0.6051668161810498
Energy: 0.7446106730347967
Energy: 1.312753961828846
Energy: 0.7723727851599639
Energy: 0.6924409558747349
Energy: 0.7723727851578033
Energy: 1.132550132456813
Energy: 0.7446445839984885
Energy: 0.5972904921418442
Energy: 0.7446445839984885
Energy: 1.572148724191818
Energy: 0.745430022612836
Energy: 0.6949759003647452
Energy: 0.7454300212660042
Energy: 1.1804229754097393
Energy: 0.7445956713146507
Energy: 0.6052287113830317
Energy: 0.7445956713146507
Energy: 1.4283789696505795
Energy: 0.7722924261352992
Energy: 0.6927589829542133
Energy: 0.7722924261417815
Energy: 1.132537837292656
Energy: 0.7446935166380508
Energy: 0.5968894569272749
Energy: 0.7446935166384829
Energy: 1.3894312703229899
Energy: 0.7453464480562398
Energy: 0.695108625904297
Energy: 0.7453464480562398
Energy: 0.747552356009647
Energy: 0.7443864923658059
Energy: 0.8822676164208022
Energy: 0.7443864889244567
Energy: 1.075197542989145
Energy: 0.7724002931417259
Energy: 0.692554005105035
Energy: 0.7724002931430224
Energy: 0.6925437007874397
Energy: 0.744240931235315
Energy: 0.8762249525779262
Energy: 0.744240931235315
Energy: 1.0348488668642928
Energy: 0.7454436542521179
Energy: 0.6951389321240823
Energy: 0.7454436542512536
Energy: 0.6936288499992302
Energy: 1.052922622079375
Energy: 0.9126597564397742
Energy: 1.05292262207635
Energy: 0.6397506989008563
Energy: 0.8010363151029098
Energy: 0.6940635991910258
Energy: 0.8010363151387384
Energy: 0.6965241001440973
Energy: 0.7443183982903475
Energy: 1.277391631410587
Energy: 0.7443183982886189
Energy: 0.6051557607185561
Energy: 0.7460141534242621
Energy: 0.7490150570237091
Energy: 0.7460141534316087
Energy: 0.6937390768260442
Energy: 1.0529896833899979
Energy: 1.3128020127874802
Energy: 1.0529896833899979

minimum gb energy = 0.5961379820878047 eV
minimum distance =  2.62103558588814 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.024186107345019976
Energy: 0.02503482567386934
Energy: 0.9577674965999562
Energy: 0.025034825672872716
Energy: 0.9571308859293095
Energy: -0.6626811318159219
Energy: -0.6599574166802573
Energy: -0.6626811318155897
Energy: 0.024186107345019976
Energy: 0.025034825673537132
Energy: 0.9578302984483325
Energy: 0.025034825672872716
Energy: 0.9571308859293095
Energy: -0.6626811318146302
Energy: -0.6599574166808848
Energy: -0.6626811318159219
Energy: 0.024186107345019976
Energy: 0.025034825673537132
Energy: 0.9577674972587633
Energy: 0.025034825672872716
Energy: 0.9571308859293095
Energy: -0.6626811318165495
Energy: -0.6599574166795928
Energy: -0.6626811318162174

minimum gb energy = -0.6626811318165495 eV
minimum distance =  2.84318037221778 Angstroms
sigma value = 1