Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_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=3.430137217044831
cohesive_energy=3.990966885422167
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: 0.017188718899520034
Energy: 0.0177885436312554
Energy: 1.3214840414153395
Energy: 0.01778854363195204
Energy: 0.0177885436312554
Energy: 0.6813031765806048
Energy: 0.017788543632609982
Energy: 0.6813031765806048
Energy: 1.3214840414153395
Energy: 0.01778854363195204
Energy: 0.017188718899520034
Energy: 0.01778854363195204
Energy: 0.017788543632609982
Energy: 0.6813031765806048
Energy: 0.01778854363195204
Energy: 0.6813031765799468

minimum gb energy = 0.017188718899520034 eV
minimum distance =  2.35151260522294 Angstroms
sigma value = 1


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

Energy: 0.7305630850890904
Energy: 0.7938118497142497
Energy: 1.0971547107521273
Energy: 0.7938118497125598
Energy: 0.7056700763528494
Energy: 0.8349499948619593
Energy: 0.7213275219962652
Energy: 0.8349499948594247
Energy: 0.7532422881969949
Energy: 0.8194149016694796
Energy: 0.6883574340714307
Energy: 0.8194149016711693
Energy: 0.7215360657921066
Energy: 0.7950632806666442
Energy: 0.736304343527825
Energy: 0.7950632806666442
Energy: 0.7245040998511264
Energy: 0.788917346722701
Energy: 0.724342251356411
Energy: 0.788917346722701
Energy: 0.6873982786272917
Energy: 0.8678798115370978
Energy: 0.6846540764869049
Energy: 0.867879811535408
Energy: 0.6935221736132251
Energy: 0.8092126312622396
Energy: 0.6751952202394085
Energy: 0.8092126312622396
Energy: 0.7088183606433194
Energy: 0.783330830532756
Energy: 0.7700116569500163
Energy: 0.7833308305352906
Energy: 0.7126458692935147
Energy: 0.8302494775272681
Energy: 0.7065737117316888
Energy: 0.8302494775314925
Energy: 0.6845385958614281
Energy: 0.8083267400151121
Energy: 0.7236324892166757
Energy: 0.8083267400117325
Energy: 0.7226104569910247
Energy: 0.794003267515879
Energy: 0.722671100770267
Energy: 0.7940032675141891
Energy: 0.8558599952310336
Energy: 0.7824371575193669
Energy: 0.6717186633975913
Energy: 0.7824371575227465
Energy: 0.7153606644172172
Energy: 0.8238176928628498
Energy: 0.7253600175735105
Energy: 0.8238176928611599
Energy: 0.7251133497886986
Energy: 0.8151151856087012
Energy: 0.6975204398663087
Energy: 0.8151151856061667
Energy: 0.7213795183460547
Energy: 0.7996102731994175
Energy: 0.7039751429321734
Energy: 0.7996102732011071
Energy: 0.7074651994764354
Energy: 0.7998735727305
Energy: 0.7111591101755299
Energy: 0.7998735727313449
Energy: 0.6862697725922863
Energy: 0.8135027679657475
Energy: 0.6959632218824353
Energy: 0.8135027679657475
Energy: 0.7206039408581135
Energy: 0.8200376950455015
Energy: 0.7718254851692411
Energy: 0.8200376950463463
Energy: 0.8168483790459754
Energy: 0.7730937339834156
Energy: 0.6783581562997715
Energy: 0.7730937339851054
Energy: 0.7024334673564675
Energy: 0.8194382332645194
Energy: 0.7121903636395611
Energy: 0.8194382332645194
Energy: 0.6906017806590186
Energy: 0.8067550332719495
Energy: 0.7676402747940245
Energy: 0.8067550332719495
Energy: 0.7213108169074331
Energy: 0.8735836220183493
Energy: 0.6969377696084655
Energy: 0.8735836220191942
Energy: 0.7944415927388392
Energy: 0.784157642396988
Energy: 0.7396257783151096
Energy: 0.7841576423986777
Energy: 0.7520941539243912
Energy: 0.808222667978248
Energy: 0.6755800071813726
Energy: 0.8082226679790929
Energy: 0.6884420145848265
Energy: 0.8003331011882552
Energy: 0.7301626982384539
Energy: 0.8003331011916347
Energy: 0.7017462665954034
Energy: 0.7807810002742449
Energy: 0.7603361694999171
Energy: 0.7807810002750898
Energy: 0.736227613967331
Energy: 0.8442619860474823
Energy: 0.6787128154622528
Energy: 0.844261986049172
Energy: 0.7632923469584999
Energy: 0.8453389284557846
Energy: 0.7065679306924167
Energy: 0.8453389284566294
Energy: 0.7045258347946132
Energy: 0.8386718929377324
Energy: 0.7264046843793761
Energy: 0.8386718929351978
Energy: 0.7216187063291518
Energy: 0.8144069902835482
Energy: 0.8071391606175111
Energy: 0.8144069902810136
Energy: 0.7304704687733732
Energy: 0.8455656131817476
Energy: 0.7152601446035008
Energy: 0.8455656131817476
Energy: 0.7058907820220285
Energy: 0.8260818589674839
Energy: 0.7213202852905796
Energy: 0.8260818589674839
Energy: 0.7260068167294617
Energy: 0.8058482641905563
Energy: 0.7347898939141096
Energy: 0.8058482641871767

minimum gb energy = 0.6717186633975913 eV
minimum distance =  2.25112673943561 Angstroms
sigma value = 1


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

Energy: 0.6769432416223243
Energy: 0.7901483786567515
Energy: 1.2028441517347077
Energy: 0.7901483786577147
Energy: 0.6620734413569216
Energy: 0.8116806348149969
Energy: 0.706167922827415
Energy: 0.8116806348111437
Energy: 0.7524959572793234
Energy: 0.8384467723489426
Energy: 0.7262161660965258
Energy: 0.838446772344126
Energy: 0.66642443800228
Energy: 0.6775329368737977
Energy: 0.6824783859101823
Energy: 0.6775329368853572
Energy: 0.6773740924548516
Energy: 0.8075462774206972
Energy: 0.7237751506684312
Energy: 0.8075462774274403
Energy: 0.8334425620025723
Energy: 0.8236093449800004
Energy: 0.7293760282575906
Energy: 0.8236093449828903
Energy: 0.692661808862478
Energy: 0.7908819133954869
Energy: 0.7147741256903971
Energy: 0.7908819134003034
Energy: 0.7920673350292732
Energy: 0.7728322124937724
Energy: 0.6822669391066668
Energy: 0.7728322124928092
Energy: 0.6468908942361711
Energy: 0.8151461100924217
Energy: 0.7203530661979303
Energy: 0.815146110093385
Energy: 0.6861457879667905
Energy: 0.7861462714061961
Energy: 0.8626953828474053
Energy: 0.7861462714110126
Energy: 0.6705288601802545
Energy: 0.7647513800108199
Energy: 0.7031526892183747
Energy: 0.7647513800117832
Energy: 0.7435824108055582
Energy: 0.7887215892310414
Energy: 0.7250631808673107
Energy: 0.7887215892348947
Energy: 0.7190545078038585
Energy: 0.79603460134219
Energy: 0.6912366132552448
Energy: 0.7960346013354466
Energy: 0.7190296214829777
Energy: 0.7959469010337664
Energy: 0.7303204497259663
Energy: 0.7959469010443628
Energy: 0.743366187121548
Energy: 0.7886918492705219
Energy: 0.7261938287935146
Energy: 0.7886918492666689
Energy: 0.6708839150469114
Energy: 0.7649915269857881
Energy: 0.6835599080867482
Energy: 0.764991526988678
Energy: 0.68640934559018
Energy: 0.7905094516424225
Energy: 0.8275775840956223
Energy: 0.7905094516366427
Energy: 0.6469549342496379
Energy: 0.8162682566379995
Energy: 0.7202923277749327
Energy: 0.8162682566447426
Energy: 0.7920947403500942
Energy: 0.772830550136735
Energy: 0.6823023876502728
Energy: 0.7728305501463681
Energy: 0.6925702807848318
Energy: 0.7911491810746958
Energy: 0.7254303738787042
Energy: 0.7911491810708425
Energy: 0.8334395137099346
Energy: 0.8235922003495091
Energy: 0.7286992714491455
Energy: 0.8235922003514357
Energy: 0.6654127666780884
Energy: 0.8073785991749215
Energy: 0.722611481064154
Energy: 0.8073785991720315
Energy: 0.6663193568316693
Energy: 0.677430157607808
Energy: 0.672586051189133
Energy: 0.6774301576087712
Energy: 0.7523544004322726
Energy: 0.8390752013727544
Energy: 0.7261853679463567
Energy: 0.8390752013737176
Energy: 0.6620684030566202
Energy: 0.8123283937697695
Energy: 0.7060423665821624
Energy: 0.8123283937688062
Energy: 0.6769432416223243
Energy: 0.7901483786567515
Energy: 1.016749071709687
Energy: 0.7901483786577147
Energy: 0.6620734413588482
Energy: 0.8116806348178869
Energy: 0.706167922827415
Energy: 0.8116806348130704
Energy: 0.7524959572802866
Energy: 0.8384467723479793
Energy: 0.7262161660974893
Energy: 0.838446772344126
Energy: 0.6664244380013169
Energy: 0.6775329368737977
Energy: 0.6824783859101823
Energy: 0.6775329368834307

minimum gb energy = 0.6468908942361711 eV
minimum distance =  2.24258797137397 Angstroms
sigma value = 25


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

Energy: 0.7303216223086518
Energy: 0.7860151591703708
Energy: 1.1736156253949337
Energy: 0.7860151591670114
Energy: 0.6762447266622862
Energy: 0.7702081939379042
Energy: 0.705574451864041
Energy: 0.7702081939390241
Energy: 0.7306329505741328
Energy: 0.7896239550951232
Energy: 0.6846335228059343
Energy: 0.7896239550917638
Energy: 0.7357820513188877
Energy: 0.7050295408735681
Energy: 0.666340662924153
Energy: 0.7050295408702084
Energy: 0.7245532844505327
Energy: 0.7933702583972002
Energy: 0.693509594951949
Energy: 0.7933702584005596
Energy: 0.7916850047814299
Energy: 0.7882843821883347
Energy: 0.7012179851063454
Energy: 0.7882843821827357
Energy: 0.6951523589227158
Energy: 0.7990295526572482
Energy: 0.7275716067862682
Energy: 0.7990295526662068
Energy: 0.9155680321736677
Energy: 0.8269617294688724
Energy: 0.7014843912796217
Energy: 0.8269617294677525
Energy: 0.6841280471973197
Energy: 0.77204123753516
Energy: 0.7179795832407911
Energy: 0.7720412375385194
Energy: 0.6892204579905167
Energy: 0.8287779512787673
Energy: 0.7523234235030383
Energy: 0.8287779512832466
Energy: 0.6791415201648102
Energy: 0.7591428338151359
Energy: 0.7017166185831001
Energy: 0.7591428338117764
Energy: 0.6742361248088709
Energy: 0.7960381136954335
Energy: 0.7058344279525995
Energy: 0.7960381136954335
Energy: 0.7177164270724267
Energy: 0.7968471155371177
Energy: 0.7540896163241639
Energy: 0.7968471155348781
Energy: 0.693688973604647
Energy: 0.7907558686662004
Energy: 0.6778087498672216
Energy: 0.7907558686628409
Energy: 0.8109040653925004
Energy: 0.7859336136737202
Energy: 0.7092591187321214
Energy: 0.7859336136726005
Energy: 0.692488278576622
Energy: 0.7853917422173284
Energy: 0.686072713891453
Energy: 0.785391742182614
Energy: 0.6843037391076967
Energy: 0.8050906092246876
Energy: 0.699668104708747
Energy: 0.8050906092235678
Energy: 0.7169842960477061
Energy: 0.8064078113591069
Energy: 0.7517508942588657
Energy: 0.8064078113624663
Energy: 0.7575979239759173
Energy: 0.8162445180294611
Energy: 0.6902374169176301
Energy: 0.8162445180339404
Energy: 0.679287798596941
Energy: 0.7920391735704257
Energy: 0.7192096129480019
Energy: 0.7920391735748543
Energy: 0.7501570489490996
Energy: 0.8004307453056613
Energy: 0.6862370448723224
Energy: 0.8004307453079009
Energy: 0.7207832537580394
Energy: 0.792587280663218
Energy: 0.8322796122427065
Energy: 0.7925872806598586
Energy: 0.6770540543902183
Energy: 0.7597224626756293
Energy: 0.6718597678383437
Energy: 0.759722462677869
Energy: 0.8417771067070546
Energy: 0.8174348062970598
Energy: 0.689169112560542
Energy: 0.8174348062970598
Energy: 0.7213748958382513
Energy: 0.7723749686488822
Energy: 0.6795694953773785
Energy: 0.7723749686421633

minimum gb energy = 0.666340662924153 eV
minimum distance =  2.25139207621875 Angstroms
sigma value = 9


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

Energy: 0.6981001057298535
Energy: 0.793179458549755
Energy: 1.232777385346043
Energy: 0.7931794585524267
Energy: 0.6927755474841824
Energy: 0.7622460004590282
Energy: 0.6784605154003056
Energy: 0.7622460004563565
Energy: 0.670687815835223
Energy: 0.7824797791113633
Energy: 0.692961285801053
Energy: 0.7824797791113633
Energy: 0.6415354734988978
Energy: 0.8135195278677135
Energy: 0.6559289573771083
Energy: 0.8135195278677135
Energy: 0.7649647334045804
Energy: 0.8186214331877236
Energy: 0.6720165117949445
Energy: 0.8186214331957085
Energy: 0.6478640459313706
Energy: 0.7405222480251538
Energy: 0.6812948685332528
Energy: 0.740522248030497
Energy: 0.6421149978423247
Energy: 0.8093005619415911
Energy: 0.7288985077024712
Energy: 0.8093005619402551
Energy: 0.9120517777706496
Energy: 0.7611852831810447
Energy: 0.6095923432765871
Energy: 0.7611852831850523
Energy: 0.6962603191369091
Energy: 0.7113195040386339
Energy: 0.6727903189179566
Energy: 0.7113195040426413
Energy: 0.6425872849830238
Energy: 0.7016170215888079
Energy: 0.7118313407217212
Energy: 0.701617021598159
Energy: 0.5929622574008089
Energy: 0.8218777936506825
Energy: 0.7052542916386068
Energy: 0.8218777936520185
Energy: 0.681596639967072
Energy: 0.6557023702081629
Energy: 0.6996374748762056
Energy: 0.6557023702054912
Energy: 0.5858309930709319
Energy: 0.8045044026433229
Energy: 0.7987425076218554
Energy: 0.8045044026353078
Energy: 0.7729813690421952
Energy: 0.7122497892800589
Energy: 0.7107889994433074
Energy: 0.7122497892733797
Energy: 0.5860838727810278
Energy: 0.8045823033360557
Energy: 0.7762185277890822
Energy: 0.8045823033373916
Energy: 0.681808725473631
Energy: 0.6361746835745495
Energy: 0.6994416223212783
Energy: 0.6361746826371931
Energy: 0.5933247948399114
Energy: 0.8220180712893295
Energy: 0.6930373211172826
Energy: 0.8220180712893295
Energy: 0.642369824324786
Energy: 0.7025081787228884
Energy: 0.7116839084332995
Energy: 0.7025081787268961
Energy: 0.6962118595838958
Energy: 0.7114845537068221
Energy: 0.6727412892493444
Energy: 0.7114845537094634
Energy: 0.9123647726421997
Energy: 0.7611108046439242
Energy: 0.6096091082175746
Energy: 0.7611108046425883
Energy: 0.6421173886333
Energy: 0.8095034978438165
Energy: 0.7289636106822495
Energy: 0.8095034978438165

minimum gb energy = 0.5858309930709319 eV
minimum distance =  2.25743201482244 Angstroms
sigma value = 25


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

Energy: 0.7442279790723794
Energy: 0.7505794992058077
Energy: 1.4264331828639722
Energy: 0.7505794992074597
Energy: 0.6941111684093102
Energy: 0.7004428741652832
Energy: 0.6475996401253711
Energy: 0.7004428741669353
Energy: 0.6754106201657443
Energy: 0.6882583702730449
Energy: 0.6575403852673235
Energy: 0.6882583702713929
Energy: 0.7079866338374818
Energy: 0.7386189150634934
Energy: 0.7554507509679105
Energy: 0.7386189150651454
Energy: 0.7862635197474266
Energy: 0.6498250682132257
Energy: 0.6913632480688335
Energy: 0.6498250682115737
Energy: 0.6663954043776471
Energy: 0.6837689020182504
Energy: 0.6981461003595474
Energy: 0.6837689020165982
Energy: 0.6477455171087625
Energy: 0.7425625399738839
Energy: 0.6821467780347388
Energy: 0.7425625399788403
Energy: 0.7673795130668574
Energy: 0.7442797510821787
Energy: 0.7431573458762682
Energy: 0.7442797510821787
Energy: 0.6868058488553113
Energy: 0.7040277359453943
Energy: 0.6434916671771445
Energy: 0.7040277359470463
Energy: 0.6655571021518656
Energy: 0.6851972065628954
Energy: 0.6733498836883388
Energy: 0.6851972065595913
Energy: 0.7842448598093121
Energy: 0.7404636351642244
Energy: 0.8338328289683474
Energy: 0.7404636351642244
Energy: 0.6765087597649475
Energy: 0.7786977179274294
Energy: 0.7066033737647409
Energy: 0.7786977181454265
Energy: 0.8562102863716623
Energy: 0.6842886743054727
Energy: 0.6661055484875049
Energy: 0.6842886743054727
Energy: 0.6725076735371968
Energy: 0.7381595249726617
Energy: 0.7051676584441798
Energy: 0.7381595249710096
Energy: 0.6051773955039036
Energy: 0.7554353926216173
Energy: 0.7739225129275056
Energy: 0.7554353926216173
Energy: 0.6416855094820436
Energy: 0.6841455747864602
Energy: 0.6660740861121289
Energy: 0.6841455747913788
Energy: 0.6864506961713631
Energy: 0.7328365874898073
Energy: 0.6672093099687539
Energy: 0.7328365874914593

minimum gb energy = 0.6051773955039036 eV
minimum distance =  2.24601459688948 Angstroms
sigma value = 17


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

Energy: 0.7357232389018953
Energy: 0.7633291648319523
Energy: 1.2342906464960108
Energy: 0.7633291648366305
Energy: 0.7347624387220135
Energy: 0.8461730286037057
Energy: 0.653368465224742
Energy: 0.846173028605577
Energy: 0.7132337583535978
Energy: 0.7699736272324502
Energy: 0.6523356464964671
Energy: 0.7699736272315145
Energy: 0.7429859647881925
Energy: 0.7313070788367766
Energy: 0.6896105861143681
Energy: 0.731307078835841
Energy: 0.7014975053144463
Energy: 0.7546843253267077
Energy: 0.6619312092315373
Energy: 0.7546843253257721
Energy: 0.7081961138149877
Energy: 0.728354939942478
Energy: 0.8446472063938746
Energy: 0.728354939942478
Energy: 0.6912483894409449
Energy: 0.8203067653629075
Energy: 0.6569460659464507
Energy: 0.8203067653647788
Energy: 0.7827239284447176
Energy: 0.7468250806289465
Energy: 0.6692810725978926
Energy: 0.7468250806336247
Energy: 0.6774866224855648
Energy: 0.7620254717951334
Energy: 0.7028009037228117
Energy: 0.7620254717960689
Energy: 0.6984171922220249
Energy: 0.7663552932412444
Energy: 0.6880175433275189
Energy: 0.7663552932337592
Energy: 0.7149634108195464
Energy: 0.758929336006319
Energy: 0.8114864989713217
Energy: 0.7589293360044477
Energy: 0.6686770270317997
Energy: 0.7680657883510347
Energy: 0.6423736220725642
Energy: 0.7680657883529061
Energy: 0.7424467897011229
Energy: 0.7663993135589121
Energy: 0.6656819485464387
Energy: 0.7663993135598477
Energy: 0.6658781293428806
Energy: 0.7431984663670017
Energy: 0.6745309020617091
Energy: 0.7431984663642374
Energy: 0.6934671184375509
Energy: 0.7592868101293944
Energy: 0.689634970205935
Energy: 0.7592868101303301
Energy: 0.7230491415807689
Energy: 0.7474310980680717
Energy: 0.7425787140511951
Energy: 0.7474310980708787
Energy: 0.664695858071919
Energy: 0.8380401548996712
Energy: 0.7261739172253122
Energy: 0.8380401549006068
Energy: 0.8399517789544866
Energy: 0.7746127840526298
Energy: 0.7180619041249087
Energy: 0.7746127840535654
Energy: 0.6547282833831275
Energy: 0.7534440026419991
Energy: 0.7121082154158563
Energy: 0.7534440026401278
Energy: 0.6563355580269922
Energy: 0.7352958679784103
Energy: 0.7139902897214997
Energy: 0.7352958679802816
Energy: 0.7339412744487759
Energy: 0.7714759688331713
Energy: 0.7082015379386563
Energy: 0.7714759688322357
Energy: 0.664781337649913
Energy: 0.904647994333625
Energy: 0.6989074017355744
Energy: 0.9046479943354963
Energy: 0.7923384888749078
Energy: 0.7743513279704389
Energy: 0.7134259273488192
Energy: 0.7743513279666963
Energy: 0.6952449969443206
Energy: 0.804017529524123
Energy: 0.6999849181183957
Energy: 0.8040175295222518
Energy: 0.6948096129723946
Energy: 0.793439806472201
Energy: 0.6817412892741943
Energy: 0.7934398064731367
Energy: 0.7865713000734496
Energy: 0.7631071533404842
Energy: 0.7175912844200097
Energy: 0.7631071533414199
Energy: 0.6646023299664159
Energy: 0.8198897387579508
Energy: 0.7057868049153824
Energy: 0.8198897387570152
Energy: 0.7408749615473927
Energy: 0.7831770707638823
Energy: 0.7103142539868859
Energy: 0.7831770707629467
Energy: 0.707928465572204
Energy: 0.7644733974431315
Energy: 0.6993345923149337
Energy: 0.7644733974440671
Energy: 0.6656467555658913
Energy: 0.7542876130067543
Energy: 0.7421954650423395
Energy: 0.754287613009561

minimum gb energy = 0.6423736220725642 eV
minimum distance =  2.2412114244298 Angstroms
sigma value = 53


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

Energy: 0.5781260499240157
Energy: 0.6684744222273106
Energy: 1.5721708638872836
Energy: 0.6684744222230027
Energy: 0.6332921283445423
Energy: 0.7374472779148153
Energy: 0.6570018150517563
Energy: 0.7374472779126614
Energy: 0.5638064548421653
Energy: 0.7089366047199711
Energy: 0.6562245289571744
Energy: 0.7089366047199711
Energy: 0.5637779530650061
Energy: 0.7091983735809279
Energy: 0.6562446545480101
Energy: 0.7091983735809279
Energy: 0.6333329579617242
Energy: 0.7370579736540458
Energy: 0.6569276557555875
Energy: 0.7370579736432756
Energy: 0.5781260499240157
Energy: 0.6684744222273106
Energy: 1.5721708638872836
Energy: 0.6684744222230027
Energy: 0.6332921283466962
Energy: 0.7374472779126614
Energy: 0.6570018150517563
Energy: 0.7374472779083533
Energy: 0.5638064548421653
Energy: 0.7089366047199711
Energy: 0.6562245289571744
Energy: 0.7089366047199711
Energy: 0.563777953062852
Energy: 0.7091983735809279
Energy: 0.656244654545856
Energy: 0.7091983735787739
Energy: 0.6333329579595701
Energy: 0.7370579736497377
Energy: 0.6569276557555875
Energy: 0.7370579736411216
Energy: 0.5781260499218616
Energy: 0.6684744222251566
Energy: 1.5721708638851295
Energy: 0.6684744222208485
Energy: 0.6332921283445423
Energy: 0.7374472779148153
Energy: 0.6570018150517563
Energy: 0.7374472779148153
Energy: 0.5638064548400112
Energy: 0.7089366047199711
Energy: 0.6562245289571744
Energy: 0.7089366047199711

minimum gb energy = 0.563777953062852 eV
minimum distance =  2.26383788221504 Angstroms
sigma value = 9


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

Energy: 0.6796073965121608
Energy: 0.8004166061511487
Energy: 1.2793926286239936
Energy: 0.8004166061471625
Energy: 0.6744290640438276
Energy: 0.7601235851149766
Energy: 0.673222502210954
Energy: 0.7601235851125849
Energy: 0.6874078435361302
Energy: 0.7974374245580784
Energy: 0.629001720793687
Energy: 0.7974374245564839
Energy: 0.6828985349275424
Energy: 0.7724470851678966
Energy: 0.6249606846393222
Energy: 0.7724470851639106
Energy: 0.6912119801307629
Energy: 0.7348254418569395
Energy: 0.6493786011734425
Energy: 0.7348254418593314
Energy: 0.633930900583183
Energy: 0.7826490815928957
Energy: 0.8519645355804618
Energy: 0.7826490815936931
Energy: 0.7630209403147727
Energy: 0.8222674155859424
Energy: 0.6504280678454076
Energy: 0.8222674155891314
Energy: 0.6505383279263026
Energy: 0.8042268154471228
Energy: 0.7436267685864212
Energy: 0.8042268154447313
Energy: 0.6786382618026059
Energy: 0.7792352890010571
Energy: 0.6352365099204328
Energy: 0.7792352890034487
Energy: 0.6720181974086684
Energy: 0.7467547180885431
Energy: 0.6317826608173075
Energy: 0.7467547180893402
Energy: 0.6337838647218027
Energy: 0.8097472734665552
Energy: 0.8219353270326352
Energy: 0.8097472734689469
Energy: 0.7288021073728578
Energy: 0.8219060467717993
Energy: 0.6559337305495682
Energy: 0.8219060467733939
Energy: 0.6451235162279497
Energy: 0.8246351547955841
Energy: 0.7176198904364044
Energy: 0.8246351547955841
Energy: 0.6581283127005929
Energy: 0.839735672925201
Energy: 0.6713442334055771
Energy: 0.8397356729267955
Energy: 0.6487828942375136
Energy: 0.8224161265040596
Energy: 0.6413258660548059
Energy: 0.8224161265032625
Energy: 0.6438586616998562
Energy: 0.7542936512733077
Energy: 0.724105766792773
Energy: 0.754293651274105
Energy: 0.6936065093781719
Energy: 0.8135644893999397
Energy: 0.6491063256543127
Energy: 0.8135644893943591
Energy: 0.6285649810208764
Energy: 0.7795913341149662
Energy: 0.8231013271557888
Energy: 0.779591334114169
Energy: 0.777538745852745
Energy: 0.8059346416114053
Energy: 0.6427927909458384
Energy: 0.8059346416090136
Energy: 0.6588246048032554
Energy: 0.7824853659238724
Energy: 0.6903425139649806
Energy: 0.7824853659230754
Energy: 0.6703160303995958
Energy: 0.794007733516682
Energy: 0.6585301259571559
Energy: 0.7940077335174791
Energy: 0.6868357097084263
Energy: 0.731852684453505
Energy: 0.6607997129707753
Energy: 0.7318526844519105
Energy: 0.6354014319056013
Energy: 0.7312128629246273
Energy: 0.678105750665995
Energy: 0.7312128629230328
Energy: 0.884684837504373
Energy: 0.8037110556277943
Energy: 0.6348820589547266
Energy: 0.8037110556277943
Energy: 0.683917012776785
Energy: 0.8771947344225318
Energy: 0.7735616324410978
Energy: 0.8771947344217345
Energy: 0.7188004854167118
Energy: 0.7920400708223555
Energy: 0.6464135258400471
Energy: 0.7920400708175721
Energy: 0.6594039369865495
Energy: 0.7715983316833761
Energy: 0.6807961574364773
Energy: 0.7715983316833761
Energy: 0.6630028320870208
Energy: 0.808649604516238
Energy: 0.6520086756330485
Energy: 0.8086496045186298
Energy: 0.6805995585716427
Energy: 0.7953279335093345
Energy: 0.650066099527166
Energy: 0.79532793350774
Energy: 0.7186361276648927
Energy: 0.8390482580360394
Energy: 0.798694764200953
Energy: 0.8390482580288642
Energy: 0.8858575579419814
Energy: 0.7979819188774802
Energy: 0.6373850039156659
Energy: 0.7979819188782775
Energy: 0.6315843083007964
Energy: 0.7480784474630576
Energy: 0.6748369978364233
Energy: 0.7480784474622604
Energy: 0.6337079480465108
Energy: 0.7699426902638934
Energy: 0.6764301743223418
Energy: 0.7699426902654154
Energy: 0.728331080740663
Energy: 0.7934597753935828
Energy: 0.6554646970970615
Energy: 0.7934597753903938
Energy: 0.715415339739952
Energy: 0.8109312926981179
Energy: 0.7277739828470137
Energy: 0.810931292698915

minimum gb energy = 0.6249606846393222 eV
minimum distance =  2.26105209046247 Angstroms
sigma value = 73


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

Energy: 0.6715718103732707
Energy: 0.7742437502895863
Energy: 1.2495120072701436
Energy: 0.7742437502883214
Energy: 0.6180724527421539
Energy: 0.7917590559934081
Energy: 0.6714871806249044
Energy: 0.7917590559896135
Energy: 0.6193378993025497
Energy: 0.7140537735747706
Energy: 0.6219027813057063
Energy: 0.7140537735747706
Energy: 0.6269730687183642
Energy: 0.7507599188510855
Energy: 0.6304101684255736
Energy: 0.7507599188523503
Energy: 0.6990195135552262
Energy: 0.8068030507091554
Energy: 0.6516679437784708
Energy: 0.8068030507078904
Energy: 0.6423859204530047
Energy: 0.8033294952366636
Energy: 0.8398635521626807
Energy: 0.8033294952366636
Energy: 0.7284665811187265
Energy: 0.792910640925048
Energy: 0.6115469740019537
Energy: 0.7929106409288426
Energy: 0.6524112663312193
Energy: 0.787139748422724
Energy: 0.7441309367745702
Energy: 0.7871397484176645
Energy: 0.7778627069399745
Energy: 0.761044924843411
Energy: 0.6148925795653295
Energy: 0.7610449248472057
Energy: 0.6196848414429422
Energy: 0.7660952401790483
Energy: 0.6222369754946733
Energy: 0.7660952401752538
Energy: 0.6319619685537734
Energy: 0.754001261459555
Energy: 0.7204954728337047
Energy: 0.754001261459555
Energy: 0.7061528043948253
Energy: 0.7777737122763514
Energy: 0.643339441792494
Energy: 0.7777737122763514
Energy: 0.6431385370931153
Energy: 0.7518521164148959
Energy: 0.8945851423880916
Energy: 0.7518521164174258
Energy: 0.8899618574005443
Energy: 0.7791484826125016
Energy: 0.62611805465602
Energy: 0.7791484826162962
Energy: 0.6688110482725991
Energy: 0.774756188104381
Energy: 0.7225688182493952
Energy: 0.7747561881018511
Energy: 0.7228985736613032
Energy: 0.7709039988134329
Energy: 0.6529037363042994
Energy: 0.7709039988172274
Energy: 0.6922703483635286
Energy: 0.6305112626884208
Energy: 0.6190835387130889
Energy: 0.6305112626884208
Energy: 0.6254986300692245
Energy: 0.6766934378864775
Energy: 0.6177376362860012
Energy: 0.6766934378637095
Energy: 0.6831208148026136
Energy: 0.7777588132783555
Energy: 0.6603647771907359
Energy: 0.7777588132796205
Energy: 0.6245274437111281
Energy: 0.8054518515464674
Energy: 0.7780627369621793
Energy: 0.8054518515439377
Energy: 0.8923552104570767
Energy: 0.7311810503009241
Energy: 0.633239191142858
Energy: 0.7311810502971294
Energy: 0.6212928075506873
Energy: 0.7858683438833887
Energy: 0.6931165620385952
Energy: 0.7858683438859184

minimum gb energy = 0.6115469740019537 eV
minimum distance =  2.22964631459689 Angstroms
sigma value = 7


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

Energy: 0.7793741512793478
Energy: 0.8017081645894331
Energy: 1.168468378486381
Energy: 0.8017081645804889
Energy: 0.7851995623642923
Energy: 0.802447688931267
Energy: 0.6632427539926747
Energy: 0.8024476889285836
Energy: 0.6629632786766061
Energy: 0.7835696377592146
Energy: 0.6563975811578167
Energy: 0.7835696377556369
Energy: 0.7311234019586866
Energy: 0.7700576508050027
Energy: 0.6582322586367988
Energy: 0.7700576508094746
Energy: 0.644843390190688
Energy: 0.7835542201183362
Energy: 0.6601582237212844
Energy: 0.7835542201254916
Energy: 0.6623746705128947
Energy: 0.8217846006630443
Energy: 0.7870835066343638
Energy: 0.8217846006639385
Energy: 0.7954647612968841
Energy: 0.80885726333358
Energy: 0.6633950944033212
Energy: 0.8088572633308968
Energy: 0.6626001301136264
Energy: 0.784218054975917
Energy: 0.8189067967786712
Energy: 0.7842180549777058
Energy: 0.7678747038270733
Energy: 0.8264855261872963
Energy: 0.647704841491736
Energy: 0.8264855261774577
Energy: 0.6356737976630367
Energy: 0.8027074526900784
Energy: 0.7593060642863846
Energy: 0.8027074526802398
Energy: 0.7146769934755605
Energy: 0.7777595936571667
Energy: 0.6507222193089983
Energy: 0.7777595936562723
Energy: 0.6562633451223463
Energy: 0.6614475043560636
Energy: 0.6668783678483798
Energy: 0.6614475043650077
Energy: 0.6300998938819584
Energy: 0.7708205205633272
Energy: 0.6691076321276395
Energy: 0.770820520549911
Energy: 0.6582751133727299
Energy: 0.8661391763448867
Energy: 0.6550541957898494
Energy: 0.8661391763448867
Energy: 0.671289147054997
Energy: 0.83447950208806
Energy: 0.7303768023249998
Energy: 0.8344795020853767
Energy: 0.8562495844257328
Energy: 0.8388150318707722
Energy: 0.6588452214453318
Energy: 0.8388150318573561
Energy: 0.6336024658200174
Energy: 0.767451208565095
Energy: 0.7727918709234523
Energy: 0.7674512085633062
Energy: 0.6520096750637808
Energy: 0.8457726807694921
Energy: 0.670408120077117
Energy: 0.8457726807721754
Energy: 0.6668258905640999
Energy: 0.8118866782432511
Energy: 0.6688100787201287
Energy: 0.8118866782513008
Energy: 0.6664269510199518
Energy: 0.7415814126219454
Energy: 0.664891851928407
Energy: 0.7415814126192622
Energy: 0.7139113330180541
Energy: 0.8404205331275709
Energy: 0.6475535013529905
Energy: 0.8404205331347261
Energy: 0.6361124570661235
Energy: 0.7879979732152259
Energy: 0.757073150665513
Energy: 0.7879979732143315
Energy: 0.7704877297910167
Energy: 0.8121833334138087
Energy: 0.6506171832162071
Energy: 0.8121833334057591
Energy: 0.7264331785418306
Energy: 0.8616715538580358
Energy: 0.7921699651674634
Energy: 0.8616715538526694
Energy: 0.6881388742263526
Energy: 0.7276746125440022
Energy: 0.6636275030229863
Energy: 0.7276746125350988
Energy: 0.6962067007993341
Energy: 0.7872145645581472
Energy: 0.6637221658166313
Energy: 0.7872145645626192
Energy: 0.6465886405379448
Energy: 0.7166381923480147
Energy: 0.7086660243242098
Energy: 0.7166381923605364
Energy: 0.7378385821720177
Energy: 0.8333246026984682
Energy: 0.6314047171977119
Energy: 0.8333246026957849
Energy: 0.6659554265549177
Energy: 0.7788661712249118
Energy: 0.8529723662446486
Energy: 0.7788661712159678
Energy: 0.7765045539122649
Energy: 0.7584476021713631
Energy: 0.661892170889681
Energy: 0.7584476021615245
Energy: 0.665977278747223
Energy: 0.7790486541299682
Energy: 0.8425406345049197
Energy: 0.7790486541326515

minimum gb energy = 0.6300998938819584 eV
minimum distance =  2.23704535571756 Angstroms
sigma value = 29


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

Energy: 0.5036090154657128
Energy: 0.8662293049336713
Energy: 1.4461317009166803
Energy: 0.8662293049351945
Energy: 0.5329526762435184
Energy: 0.7144113746135738
Energy: 0.5893958673599587
Energy: 0.7144113746129854
Energy: 0.7186404707988506
Energy: 0.6925070660935415
Energy: 0.5255382200397714
Energy: 0.6925070660941645
Energy: 0.4725119354139889
Energy: 0.7131556340608322
Energy: 0.5055926392082278
Energy: 0.7131556340623552
Energy: 0.5011617554513325
Energy: 0.712791857551285
Energy: 0.7063187070734723
Energy: 0.7127918575506966
Energy: 0.7001367655300027
Energy: 0.656325039512637
Energy: 0.7003924099291681
Energy: 0.6563250395153717
Energy: 0.7062125555083514
Energy: 0.7129541675504844
Energy: 0.5010683366500398
Energy: 0.7129541675507959
Energy: 0.5044481433364679
Energy: 0.713094100493258
Energy: 0.47264177728930357
Energy: 0.7130941004917349
Energy: 0.5254997840029756
Energy: 0.692533922614965
Energy: 0.7186490706964642
Energy: 0.692533922614965

minimum gb energy = 0.4725119354139889 eV
minimum distance =  2.26468475810406 Angstroms
sigma value = 5


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

Energy: 0.7311537300589752
Energy: 0.7243159387643175
Energy: 1.15830548851335
Energy: 0.7243159387643175
Energy: 0.6728176196408127
Energy: 0.905610565761241
Energy: 0.6188507179544372
Energy: 0.9056105657603961
Energy: 0.646134807428047
Energy: 0.8012203884100211
Energy: 0.7391452588500138
Energy: 0.8012203884074864
Energy: 0.6859264367494681
Energy: 0.746661022533927
Energy: 0.576089265026389
Energy: 0.7466610225330821
Energy: 0.6274868881760306
Energy: 0.7244766564392926
Energy: 0.6834693248374084
Energy: 0.7244766564409822
Energy: 0.7623197541149814
Energy: 0.7649608099114225
Energy: 0.609899009931169
Energy: 0.7649608099114225
Energy: 0.6234811006610235
Energy: 0.7059317803024112
Energy: 0.6144581152982769
Energy: 0.7059317803032561
Energy: 0.6186149393182329
Energy: 0.7527759403279984
Energy: 0.6338019263751609
Energy: 0.7527759403288432
Energy: 0.57874511836553
Energy: 0.7598759593697632
Energy: 0.7107014081154315
Energy: 0.7598759593731426
Energy: 0.5882381968531081
Energy: 0.703963710892178
Energy: 0.6598056900397202
Energy: 0.7039637108947125
Energy: 0.6855035804140751
Energy: 0.7688919366327184
Energy: 0.6216907726125454
Energy: 0.7688919366327184
Energy: 0.6248551575121618
Energy: 0.7845044700038367
Energy: 0.6891383966440764
Energy: 0.784504470002147
Energy: 0.7648339131497984
Energy: 0.7216822020593626
Energy: 0.7202329542849459
Energy: 0.7216822020602075
Energy: 0.6082715561803411
Energy: 0.7727490145090649
Energy: 0.6733207667055026
Energy: 0.7727490145099097
Energy: 0.791337739047712
Energy: 0.7915989937207809
Energy: 0.6039940466894264
Energy: 0.7915989937250052
Energy: 0.6182993785662656
Energy: 0.7492685151121324
Energy: 0.9126851049093839
Energy: 0.7492685151129773
Energy: 0.6667860349122274
Energy: 0.8013014387453123
Energy: 0.620002762356054
Energy: 0.801301438747847
Energy: 0.5810083371597887
Energy: 0.7526269871210595
Energy: 0.8531077552055834
Energy: 0.7526269871235941
Energy: 0.6210653170246351
Energy: 0.7147370719256646
Energy: 0.6141104583311886
Energy: 0.7147370719281994
Energy: 0.6567246304370429
Energy: 0.8142956693206692
Energy: 0.6735695773753732
Energy: 0.8142956693265834
Energy: 0.6933538401662442
Energy: 0.8559145872542677
Energy: 0.578930749394884
Energy: 0.8559145872542677
Energy: 0.5860945485903746
Energy: 0.6917780753361357
Energy: 0.5813861631831526
Energy: 0.6917780753361357
Energy: 0.5968218004478476
Energy: 0.7594032749408941
Energy: 0.6567202386325404
Energy: 0.7594032749451185
Energy: 0.6759751067553336
Energy: 0.6810336824293216
Energy: 0.6204166842779197
Energy: 0.6810336824327012
Energy: 0.6621089042293448
Energy: 0.6689710585751778
Energy: 0.6358849622904158
Energy: 0.6689710585701086
Energy: 0.6714966079340523
Energy: 0.7236376505771585
Energy: 0.6198034276266519
Energy: 0.7236376505737789
Energy: 0.6246226445858971
Energy: 0.7930085423616373
Energy: 0.6851670892911936
Energy: 0.793008542364172
Energy: 0.8580419971369346
Energy: 0.8070653459841124
Energy: 0.6331256615797528
Energy: 0.8070653459824226
Energy: 0.5964974694141498
Energy: 0.766389207323159
Energy: 0.6922470858914584
Energy: 0.7663892073206243
Energy: 0.8240313409959108
Energy: 0.7317429271716249
Energy: 0.6089384440229478
Energy: 0.7317429271699352
Energy: 0.6029115164906744
Energy: 0.7248394073742938
Energy: 0.8691569786108674
Energy: 0.7248394073776733
Energy: 0.6597115965780779
Energy: 0.7475353035971366
Energy: 0.6230352993530861
Energy: 0.7475353035954467
Energy: 0.6046489839756387
Energy: 0.7381407747882778
Energy: 0.6993567328766801
Energy: 0.7381407747865882

minimum gb energy = 0.576089265026389 eV
minimum distance =  2.22787419232334 Angstroms
sigma value = 1


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

Energy: 0.7707045505953758
Energy: 0.652518517832866
Energy: 0.9751674922015641
Energy: 0.6525185178363705
Energy: 0.7218224518937366
Energy: 0.7004775772560533
Energy: 0.5476111606282156
Energy: 0.7004775772525488
Energy: 0.6195366083616421
Energy: 0.7182953767777674
Energy: 0.7562565661078807
Energy: 0.7182953767649173
Energy: 0.7096243260544295
Energy: 0.7299430050009499
Energy: 0.5495684661213721
Energy: 0.7299430050056226
Energy: 0.6464832856849693
Energy: 0.7109460460675889
Energy: 0.7096559748977199
Energy: 0.7109460460722616
Energy: 0.6327052389562845
Energy: 0.6666701805713681
Energy: 0.549625493978169
Energy: 0.6666701805760409
Energy: 0.6059730401589122
Energy: 0.7262445793277066
Energy: 0.7450507699316673
Energy: 0.7262445793347158
Energy: 0.6226496249099622
Energy: 0.6583547197937302
Energy: 0.7047336480982116
Energy: 0.6583547198100848
Energy: 0.58082738795597
Energy: 0.6044226493452647
Energy: 0.7040347395751109
Energy: 0.604422649340592
Energy: 0.5809019676134204
Energy: 0.6045205371428768
Energy: 0.6980466902383092
Energy: 0.6045205371043266
Energy: 0.6227622571457403
Energy: 0.6628084438123291
Energy: 0.7044488455645503
Energy: 0.6628084440014688
Energy: 0.6065620433892029
Energy: 0.731477791616769
Energy: 0.6464362511109024
Energy: 0.7314777916191054
Energy: 0.6323704691247627
Energy: 0.6652351209291189
Energy: 0.5493920427040871
Energy: 0.6652351209863068
Energy: 0.646767009099688
Energy: 0.7111046076407894
Energy: 0.700927792648152
Energy: 0.7111046076454621
Energy: 0.7091415055105651
Energy: 0.7303273424345759
Energy: 0.5494724959207375
Energy: 0.7303273424357439
Energy: 0.6197421830735063
Energy: 0.7175670528467806
Energy: 0.7740585949848008
Energy: 0.7175670528444442
Energy: 0.7216912604494856
Energy: 0.7001785027349853
Energy: 0.5475515179396152
Energy: 0.7001785027303126
Energy: 0.7707045505965441
Energy: 0.6525185178503887
Energy: 0.8466390953844807
Energy: 0.652518517851557
Energy: 0.7218224518937366
Energy: 0.700477577260726
Energy: 0.5476111606282156
Energy: 0.7004775772572215
Energy: 0.6195366083616421
Energy: 0.7182953767451112
Energy: 0.7751984056714358
Energy: 0.7182953767427749
Energy: 0.7096243260567658
Energy: 0.729943005002118
Energy: 0.5495684661202039
Energy: 0.729943005007959
Energy: 0.6464832856849693
Energy: 0.7109460460687571
Energy: 0.6732762146400197
Energy: 0.7109460460722616
Energy: 0.6327052389586207
Energy: 0.6666701805690318
Energy: 0.5496254939793371
Energy: 0.6666701805772091
Energy: 0.6059730401612485
Energy: 0.7262445793265384
Energy: 0.6982132429688631
Energy: 0.726244579324202

minimum gb energy = 0.5475515179396152 eV
minimum distance =  2.25228338729327 Angstroms
sigma value = 17


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

Energy: 0.7829179596439693
Energy: 0.6589716447401174
Energy: 1.1765658815045428
Energy: 0.6589716447401174
Energy: 0.7125479239340872
Energy: 0.7107887300043031
Energy: 0.6086441964303413
Energy: 0.7107887300043031
Energy: 0.5709856616453168
Energy: 0.7217347689292422
Energy: 0.785132775800035
Energy: 0.7217347689313427
Energy: 0.8167541766291199
Energy: 0.6977774452426813
Energy: 0.6029367031181628
Energy: 0.6977774452434032
Energy: 0.5943727624714984
Energy: 0.7159786073918294
Energy: 0.7155532723103888
Energy: 0.7159786073925516
Energy: 0.6657818314638781
Energy: 0.7942759423283947
Energy: 0.6184477555328673
Energy: 0.7942759423327269
Energy: 0.5770789547506804
Energy: 0.7257471141994705
Energy: 0.742790646209879
Energy: 0.7257471141958602
Energy: 0.6359142916970715
Energy: 0.751840490599562
Energy: 0.6107764381626645
Energy: 0.751840490601006
Energy: 0.6078992405966429
Energy: 0.6460849385938403
Energy: 0.6762380612976926
Energy: 0.6460849385952845
Energy: 0.6080999865638087
Energy: 0.7543493038116615
Energy: 0.5895280689127848
Energy: 0.7543493038138276
Energy: 0.5506335076073081
Energy: 0.8174771889034093
Energy: 0.6084862608305784
Energy: 0.8174771889034093
Energy: 0.5982629278239088
Energy: 0.6791677752405371
Energy: 0.641041541618369
Energy: 0.6791677752441473
Energy: 0.6811309778319545
Energy: 0.7831391763479965
Energy: 0.62968883270507
Energy: 0.7831391763494405
Energy: 0.616540287106185
Energy: 0.6700330046870379
Energy: 0.7159228749410003
Energy: 0.670033004689926
Energy: 0.6087391667795287
Energy: 0.8103597289860419
Energy: 0.6712045988236472
Energy: 0.8103597289867639
Energy: 0.5832501196138943
Energy: 0.7306326946983738
Energy: 0.7165124189524179
Energy: 0.7306326946983738
Energy: 0.7614055223432334
Energy: 0.6800122161467984
Energy: 0.6302994424771258
Energy: 0.6800122161431883
Energy: 0.6752377351709986
Energy: 0.6717898511364062
Energy: 0.7963409221055073
Energy: 0.6717898511385724
Energy: 0.6904621092958059
Energy: 0.7817715161059285
Energy: 0.5770275982265758
Energy: 0.7817715161080946
Energy: 0.6605692934864399
Energy: 0.6823209465981958
Energy: 0.9365146785970836
Energy: 0.6823209465967518
Energy: 0.7338312434406302
Energy: 0.7106980931819815
Energy: 0.6106908582456156
Energy: 0.7106980931834255
Energy: 0.6421812421306219
Energy: 0.7137971841626499
Energy: 0.7465501289979163
Energy: 0.7137971841619278
Energy: 0.749821421764146
Energy: 0.7304885086061763
Energy: 0.6180548756863677
Energy: 0.7304885086076203
Energy: 0.5956649656029855
Energy: 0.7434020393996289
Energy: 0.6967286123798714
Energy: 0.7434020394003509
Energy: 0.7509138721227813
Energy: 0.687001092719832
Energy: 0.6795051899538845
Energy: 0.687001092720554
Energy: 0.6401606494776699
Energy: 0.6717192959260859
Energy: 0.7435451823040476
Energy: 0.6717192959289741
Energy: 0.7127360932156677
Energy: 0.7570224724754044
Energy: 0.5812366459867634
Energy: 0.7570224724761265
Energy: 0.625340756668563
Energy: 0.7784079751686123
Energy: 0.6052358357374674
Energy: 0.7784079751729445
Energy: 0.6771954484745849
Energy: 0.7340915884326521
Energy: 0.6315502525925676
Energy: 0.7340915884319302
Energy: 0.6324986532057378
Energy: 0.785448516301347
Energy: 0.6980452388833546
Energy: 0.7854485163006251
Energy: 0.6405733998998688
Energy: 0.7093668378394857
Energy: 0.6038433274522078
Energy: 0.7093668378394857
Energy: 0.620426576207967
Energy: 0.8455058988001503
Energy: 0.5498145876253339
Energy: 0.8455058988030383
Energy: 0.58881027760601
Energy: 0.7507287601304906
Energy: 0.7442406475485013
Energy: 0.7507287601312125
Energy: 0.7217420340523065
Energy: 0.6611353085973913
Energy: 0.5923222280375459
Energy: 0.6611353086038898
Energy: 0.61507823395796
Energy: 0.7131252441873032
Energy: 0.7180176614608339
Energy: 0.713125244185859
Energy: 0.7451057868705568
Energy: 0.7304769446882616
Energy: 0.6035610215797649
Energy: 0.7304769446875394
Energy: 0.6279826646591903
Energy: 0.7961603715322766
Energy: 0.6716390395564283
Energy: 0.7961603715315546
Energy: 0.6732750156598478
Energy: 0.7180648037059821
Energy: 0.6313427492310549
Energy: 0.7180648037074262

minimum gb energy = 0.5498145876253339 eV
minimum distance =  2.26192411268869 Angstroms
sigma value = 89


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

Energy: 0.7231441547963273
Energy: 0.52319594872222
Energy: 1.465497087928506
Energy: 0.5231959487203308
Energy: 0.6033901451983842
Energy: 0.6794479412368288
Energy: 0.5432589953154733
Energy: 0.6794479412349397
Energy: 0.7000136230219928
Energy: 0.7038802486614719
Energy: 0.9266636842151073
Energy: 0.7038802486614719
Energy: 0.741573385511349
Energy: 0.5974198910897269
Energy: 0.7008297767661936
Energy: 0.5974198910897269
Energy: 0.6425362402307583
Energy: 0.701222328434421
Energy: 0.7016659199518133
Energy: 0.7012223284381993
Energy: 0.5966004025279878
Energy: 0.6007043587754033
Energy: 0.6246085849894961
Energy: 0.6007043587791817
Energy: 0.5680643527902681
Energy: 0.6394787076088289
Energy: 0.633265515055026
Energy: 0.6394787076088289
Energy: 0.7584614266401055
Energy: 0.7328489378233136
Energy: 0.5958937108655085
Energy: 0.7328489378233136
Energy: 0.6961741911254071
Energy: 0.6354811604049594
Energy: 0.7372339868014737
Energy: 0.6354811604068487
Energy: 0.6422793192383031
Energy: 0.6547725200031771
Energy: 0.6960769208672345
Energy: 0.6547725206339146
Energy: 0.6323401052028401
Energy: 0.5290045890503363
Energy: 0.5970959670553752
Energy: 0.5290045890522257
Energy: 0.6969226380369421
Energy: 0.6858358884782587
Energy: 0.5963923019181577
Energy: 0.6858358884782587
Energy: 0.6961602999991344
Energy: 0.6165073993262851
Energy: 0.6490678295273496
Energy: 0.616507399324396
Energy: 0.5975044241041148
Energy: 0.6343297115151347
Energy: 0.5976029048439947
Energy: 0.6343297115151347
Energy: 0.7697143144059312
Energy: 0.6153451702020593
Energy: 0.6961370909699003
Energy: 0.6153451702039485

minimum gb energy = 0.5231959487203308 eV
minimum distance =  2.24227138688519 Angstroms
sigma value = 13


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

Energy: 0.7598537754022471
Energy: 0.8469097888795507
Energy: 0.8852036573989819
Energy: 0.8469097888835098
Energy: 0.7158318778722632
Energy: 0.7705466349812838
Energy: 0.6672126647729424
Energy: 0.7705466349717819
Energy: 0.6681898507622502
Energy: 0.7899146787470211
Energy: 0.8126661210398022
Energy: 0.7899146787470211
Energy: 0.6673098276463587
Energy: 0.7725844177420245
Energy: 0.7002951904654741
Energy: 0.7725844177483593
Energy: 0.6695086721188084
Energy: 0.8568258970881419
Energy: 0.7626644170593623
Energy: 0.8568258970818072
Energy: 0.787560603095345
Energy: 0.7480859012575047
Energy: 0.7051263197227927
Energy: 0.748085901260672
Energy: 0.6462028885798974
Energy: 0.8171781432691175
Energy: 0.7113143475776005
Energy: 0.8171781432738686
Energy: 0.7298823522337009
Energy: 0.7503425111361237
Energy: 0.7322351062252611
Energy: 0.7503425111377072
Energy: 0.6522801620353634
Energy: 0.7962502842438083
Energy: 0.7016750316817384
Energy: 0.7962502842580614
Energy: 0.7937503469874277
Energy: 0.7857559852470462
Energy: 0.6744937867851019
Energy: 0.7857559852478381
Energy: 0.6797354484407312
Energy: 0.7606194959461673
Energy: 0.781463657691085
Energy: 0.7606194959540856
Energy: 0.716944504744461
Energy: 0.8044491867666324
Energy: 0.6909519559723843
Energy: 0.8044491867745507
Energy: 0.7333880984724561
Energy: 0.8000609414957052
Energy: 0.7717593968659426
Energy: 0.8000609414894424
Energy: 0.702507777501195
Energy: 0.7560020661573157
Energy: 0.6837556225026884
Energy: 0.7560020661581076
Energy: 0.6776691929225716
Energy: 0.7057733027063019
Energy: 0.7268865134478159
Energy: 0.7057733026952161
Energy: 0.7596860867628061
Energy: 0.7500699945642276
Energy: 0.7216521504358877
Energy: 0.7500699945792725
Energy: 0.7249540871811704
Energy: 0.8387525844381698
Energy: 0.7174807659324095
Energy: 0.8387525844215412
Energy: 0.7235943326366571
Energy: 0.7817743948669974
Energy: 0.7039181355511518
Energy: 0.781774394873332
Energy: 0.6857981613751147
Energy: 0.7992364426183096
Energy: 0.6994562907912162
Energy: 0.7992364426103913
Energy: 0.6887689189435344
Energy: 0.7986091033380077
Energy: 0.6989212202437275
Energy: 0.7986091033411751
Energy: 0.7234926512169396
Energy: 0.7821798528519047
Energy: 0.7036973165405137
Energy: 0.7821798528392353
Energy: 0.7072523137938808
Energy: 0.8384694412058742
Energy: 0.7176718245803697
Energy: 0.8384694411892456
Energy: 0.7594970405641759
Energy: 0.7502989690954127
Energy: 0.7136457624949546
Energy: 0.7502989690867025
Energy: 0.6799464791076799
Energy: 0.7035202812455283
Energy: 0.7249294056228431
Energy: 0.7035202812288998
Energy: 0.704416535736743
Energy: 0.7556657512562568
Energy: 0.7136832763475638
Energy: 0.7556657512530894
Energy: 0.733344045397902
Energy: 0.8003444279601034
Energy: 0.7384852233590473
Energy: 0.8003444279537687
Energy: 0.7008290622661884
Energy: 0.8041693483639853
Energy: 0.6908363540879289
Energy: 0.8041693483639853
Energy: 0.6796850164855803
Energy: 0.7601592027795129
Energy: 0.7540119312764291
Energy: 0.7601592027763455
Energy: 0.7938215113748459
Energy: 0.7847178480791638
Energy: 0.6758393977397769
Energy: 0.7847178480949285
Energy: 0.6684261356184472
Energy: 0.7958089055326009
Energy: 0.722221723084834
Energy: 0.7958089055452703
Energy: 0.7301316458103118
Energy: 0.7506304616028459
Energy: 0.7321132304751744
Energy: 0.7506304616083888
Energy: 0.6462154269780036
Energy: 0.8169195354805047
Energy: 0.7113470537214013
Energy: 0.8169195354844639
Energy: 0.8224587308647995
Energy: 0.7479992789053848
Energy: 0.7304710489982369
Energy: 0.747999278924389
Energy: 0.6702222627056669
Energy: 0.8568419310091164
Energy: 0.6921086063128867
Energy: 0.8568419309980307
Energy: 0.6673160019804183
Energy: 0.785467413890733
Energy: 0.6995442928140875
Energy: 0.7854674138836064

minimum gb energy = 0.6462028885798974 eV
minimum distance =  2.24150021039541 Angstroms
sigma value = 37


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

Energy: 0.6771971653243704
Energy: 0.6660056491098677
Energy: 1.4696434593088932
Energy: 0.6660056491098677
Energy: 0.709000894037896
Energy: 0.7424180832765929
Energy: 0.6896628494955581
Energy: 0.7424180832752306
Energy: 0.7256248211489336
Energy: 0.811099092556419
Energy: 1.0177037688919475
Energy: 0.811099092556419
Energy: 0.7265365986472518
Energy: 0.770539352745859
Energy: 0.6896753950650167
Energy: 0.770539352745859
Energy: 0.6652131565095908
Energy: 0.7245690960044119
Energy: 0.8244684595186075
Energy: 0.7245690960044119
Energy: 0.7310562558640669
Energy: 0.7618419296958563
Energy: 0.6888531697032745
Energy: 0.7618419296944942
Energy: 0.6884027787776523
Energy: 0.7114669534582069
Energy: 0.6828242866280494
Energy: 0.7114669534554824
Energy: 0.67906658394503
Energy: 0.6833797115325438
Energy: 0.6511201350684998
Energy: 0.6833797115311817
Energy: 0.6953729389446743
Energy: 0.776259525070533
Energy: 0.7327409602176256
Energy: 0.7762595250718954
Energy: 0.8843027677304195
Energy: 0.8059282674384176
Energy: 0.6914300903724843
Energy: 0.8059282674384176
Energy: 0.7269491856096094
Energy: 0.8383192926586089
Energy: 0.7099349452383988
Energy: 0.8383192926599714
Energy: 0.7446538204440096
Energy: 0.6491762906329951
Energy: 0.6898541500851406
Energy: 0.6491762906357197
Energy: 0.7268761310118451
Energy: 0.6911617490272431
Energy: 0.778804588906924
Energy: 0.6911617490258809
Energy: 0.7422452802303878
Energy: 0.7226879479585979
Energy: 0.7286446895981293
Energy: 0.7226879479572356
Energy: 0.6431088688714348
Energy: 0.6763837502638476
Energy: 0.6788547162953872
Energy: 0.6763837502665723
Energy: 0.6437120777631635
Energy: 0.7740401160892738
Energy: 0.6936270268720968
Energy: 0.7740401160892738
Energy: 0.7379378729309858
Energy: 0.6454473963771792
Energy: 0.7301107728984645
Energy: 0.6454473963853531
Energy: 0.6865322330380291
Energy: 0.7347394579939616
Energy: 0.6888520432259048
Energy: 0.7347394579898745
Energy: 0.714313248262809
Energy: 0.6483074645634334
Energy: 0.6785376507027758
Energy: 0.6483074645470855
Energy: 0.724482814883594
Energy: 0.6927743561545201
Energy: 0.7514677692543883
Energy: 0.6927743562362286

minimum gb energy = 0.6431088688714348 eV
minimum distance =  2.23765543859334 Angstroms
sigma value = 25


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

Energy: 0.6888210848658778
Energy: 0.8268178343658467
Energy: 1.3414495191447136
Energy: 0.826817834364783
Energy: 0.7473498713188444
Energy: 0.7396421683064643
Energy: 0.6675831770909247
Energy: 0.7396421683064643
Energy: 0.6354819129459827
Energy: 0.6431337434715776
Energy: 0.9806461906969214
Energy: 0.6431337434737051
Energy: 0.7432989117212513
Energy: 0.7467913566098398
Energy: 0.6322449189998888
Energy: 0.7467913566098398
Energy: 0.6210787167911556
Energy: 0.7523125973042207
Energy: 0.8374700520336219
Energy: 0.7523125973052845
Energy: 0.6949339573209637
Energy: 0.7503266120073727
Energy: 0.6262555254460854
Energy: 0.7503266120052452
Energy: 0.6479529307573385
Energy: 0.7584031674115443
Energy: 0.7801701533413551
Energy: 0.758403167413672
Energy: 0.8192024252708359
Energy: 0.7449306443288548
Energy: 0.6387635559075624
Energy: 0.7449306443288548
Energy: 0.6364093539719057
Energy: 0.7538305563827611
Energy: 0.7604045488075095
Energy: 0.7538305563848403
Energy: 0.7412311353142352
Energy: 0.8209204995624095
Energy: 0.6904401835851559
Energy: 0.8209204995624095
Energy: 0.6377748903676692
Energy: 0.7230872758439283
Energy: 0.7376991573542193
Energy: 0.7230872758449922
Energy: 0.864679279991824
Energy: 0.683674127798083
Energy: 0.6387407591369056
Energy: 0.683674127798083
Energy: 0.6294828637954165
Energy: 0.7634796090995092
Energy: 0.7513723948491264
Energy: 0.7634796090984455
Energy: 0.7396847664479225
Energy: 0.7897161341250688
Energy: 0.6224162101438684
Energy: 0.7897161341261326
Energy: 0.6211574431338467
Energy: 0.7322526765586781
Energy: 0.7169545087181028
Energy: 0.7322526765608056
Energy: 0.7775954530736119
Energy: 0.7745252873048261
Energy: 0.6498728423764393
Energy: 0.7745252873048261
Energy: 0.6387329149817234
Energy: 0.7137290541614926
Energy: 0.7465375584265477
Energy: 0.7137290541614926
Energy: 0.7052396983635166
Energy: 0.775059788340036
Energy: 0.676155665982101
Energy: 0.775059788340036
Energy: 0.6909327124615329
Energy: 0.8037323142336735
Energy: 0.7412001429007169
Energy: 0.8037323142336735
Energy: 0.747635847949158
Energy: 0.7388376543155676
Energy: 0.6223976068477505
Energy: 0.7388376543134401
Energy: 0.6389253491232726
Energy: 0.7006451440256348
Energy: 0.800550866756819
Energy: 0.7006451440266988
Energy: 0.6768117599770971
Energy: 0.7634584525643455
Energy: 0.6994288346246863
Energy: 0.7634584525654093
Energy: 0.6217457834875266
Energy: 0.8189935833913439
Energy: 0.744591346709896
Energy: 0.8189935833945352
Energy: 0.7051739214773451
Energy: 0.7720492520920009
Energy: 0.6219287284640742
Energy: 0.7720492520909372
Energy: 0.6569668691831888
Energy: 0.786331107513935
Energy: 0.7415213862494733
Energy: 0.7863311075128713
Energy: 0.7400736913804148
Energy: 0.7565198417023805
Energy: 0.6687573125363715
Energy: 0.756519841704508

minimum gb energy = 0.6210787167911556 eV
minimum distance =  2.23460680717897 Angstroms
sigma value = 41


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

Energy: 0.7915061583878754
Energy: 0.7805361951667471
Energy: 1.0799799101787306
Energy: 0.7805361951702356
Energy: 0.7662627821305148
Energy: 0.8091532430695805
Energy: 0.6484873006165096
Energy: 0.8091532430678362
Energy: 0.6595220779439384
Energy: 0.8135048456278068
Energy: 0.7753430025329213
Energy: 0.8135048456269348
Energy: 0.7431008195637117
Energy: 0.7639757800028963
Energy: 0.6496174475625248
Energy: 0.7639757800011521
Energy: 0.633220060189691
Energy: 0.7188943015955818
Energy: 0.8310811738679542
Energy: 0.7188943015990703
Energy: 0.7715555824609339
Energy: 0.7924994804407353
Energy: 0.6271895378171517
Energy: 0.7924994804398632
Energy: 0.634687254147063
Energy: 0.7818559844110239
Energy: 0.8060795953228237
Energy: 0.7818559844110239
Energy: 0.6894962925064101
Energy: 0.7197346955494829
Energy: 0.6359081609317415
Energy: 0.7197346955486107
Energy: 0.660011161447057
Energy: 0.7427298765580473
Energy: 0.7875051484398585
Energy: 0.742729876557175
Energy: 0.7711790592940355
Energy: 0.7968610354889508
Energy: 0.6609881438443206
Energy: 0.7968610354854623
Energy: 0.6471236878133441
Energy: 0.7957903616793274
Energy: 0.7479028005946381
Energy: 0.7957903616836881
Energy: 0.7551418167499578
Energy: 0.7831108779671107
Energy: 0.7641884725666634
Energy: 0.7831108779671107
Energy: 0.6501934257272899
Energy: 0.7501480236297923
Energy: 0.7704320430230793
Energy: 0.7501480236289201
Energy: 0.7920014845870659
Energy: 0.7992407726060223
Energy: 0.6613389290181526
Energy: 0.7992407726112155
Energy: 0.6502085762314503
Energy: 0.7861482888496162
Energy: 0.7539052735444066
Energy: 0.7861482888487441
Energy: 0.7840727418057549
Energy: 0.6977803941597707
Energy: 0.6363179008718886
Energy: 0.6977803941580264
Energy: 0.6289912860912876
Energy: 0.7591602390569372
Energy: 0.7795170543338076
Energy: 0.7591602390569372
Energy: 0.8173876722286983
Energy: 0.7936130588461864
Energy: 0.6270256249820694
Energy: 0.7936130579561278
Energy: 0.6336933850861767
Energy: 0.7197942595097933
Energy: 0.7292055572276781
Energy: 0.7197942595115374
Energy: 0.7176456423485128
Energy: 0.7551433770031187
Energy: 0.6618126329431261
Energy: 0.7551433770048631
Energy: 0.657520717425033
Energy: 0.7541186272731574
Energy: 0.7065728262684517
Energy: 0.7541186272749015
Energy: 0.7555325109757913
Energy: 0.7542430297649244
Energy: 0.6323528525707112
Energy: 0.7542430297701571
Energy: 0.7603012278439519
Energy: 0.7751877445329648
Energy: 0.7059610561770586
Energy: 0.7751877445312205
Energy: 0.7504970893634053
Energy: 0.7555885892107589
Energy: 0.6774957581533905
Energy: 0.7555885892098867
Energy: 0.6573448368844422
Energy: 0.7736983490488228
Energy: 0.8029357765844105
Energy: 0.7736983490427178
Energy: 0.7493880519915912
Energy: 0.7192748256383152
Energy: 0.6477599573970726
Energy: 0.7192748256426759
Energy: 0.6355289187118327
Energy: 0.7436048773969426
Energy: 0.7805797596447986
Energy: 0.7436048773951982
Energy: 0.7502755509087411
Energy: 0.7555431717062318
Energy: 0.632940785490219
Energy: 0.7555431717079759
Energy: 0.6289655113879408
Energy: 0.7400028240426297
Energy: 0.8100247244614386
Energy: 0.7400028240400134
Energy: 0.7077674508235798
Energy: 0.6998839511023207
Energy: 0.6362148427040362
Energy: 0.6998839511005764
Energy: 0.6663523229238312
Energy: 0.7729463909915246
Energy: 0.7079099999254276
Energy: 0.7729463909950132
Energy: 0.7134374922888028
Energy: 0.754429740045174
Energy: 0.6324183171842447
Energy: 0.7544297400573838

minimum gb energy = 0.6270256249820694 eV
minimum distance =  2.22904875080756 Angstroms
sigma value = 15


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

Energy: 0.7450209025435988
Energy: 0.7616811050521476
Energy: 1.0236612691785296
Energy: 0.7616811050543639
Energy: 0.7583074923048553
Energy: 0.7761143154274908
Energy: 0.6304804538261576
Energy: 0.7761143154311849
Energy: 0.6944369632840064
Energy: 0.7541658746129652
Energy: 0.7661243757796314
Energy: 0.7541658746151818
Energy: 0.766666347475767
Energy: 0.7219966731549601
Energy: 0.6496700465320487
Energy: 0.7219966731534824
Energy: 0.6650828965967972
Energy: 0.7724112013306034
Energy: 0.8181449241732971
Energy: 0.772411201327648
Energy: 0.7725355472246646
Energy: 0.7393637441326987
Energy: 0.6510208224111009
Energy: 0.7393637441363928
Energy: 0.6524176270652451
Energy: 0.722258116681461
Energy: 0.8259858029577938
Energy: 0.7222581166807222
Energy: 0.7803738106156615
Energy: 0.7359171214658319
Energy: 0.6467663211687551
Energy: 0.7359171214687873
Energy: 0.6419232959709072
Energy: 0.7086574485265772
Energy: 0.8156019496372202
Energy: 0.7086574485265772
Energy: 0.790606275329504
Energy: 0.7627060632197382
Energy: 0.6588251793675571
Energy: 0.7627060632197382
Energy: 0.6490315210763885
Energy: 0.7402905831922827
Energy: 0.7693247669253088
Energy: 0.7402905831937603
Energy: 0.7560422771259733
Energy: 0.7710764575850427
Energy: 0.6703873109937429
Energy: 0.7710764575813488
Energy: 0.6415290912596874
Energy: 0.7391911252401927
Energy: 0.7661056355791717
Energy: 0.739191125243148
Energy: 0.7724833486678236
Energy: 0.7464797952519073
Energy: 0.754315649229043
Energy: 0.7464797952526462
Energy: 0.6623763493401258
Energy: 0.7794795027966757
Energy: 0.762690460430082
Energy: 0.7794795027922428
Energy: 0.7649772622763584
Energy: 0.7776457290007579
Energy: 0.670582427780318
Energy: 0.7776457290037132
Energy: 0.6518200186841473
Energy: 0.7123701686820403
Energy: 0.7735364485005114
Energy: 0.7123701686901674
Energy: 0.8027484071065855
Energy: 0.7454447709323352
Energy: 0.6497228634509513
Energy: 0.7454447709315966
Energy: 0.6539088659485729
Energy: 0.7254451571807727
Energy: 0.7781695050934454
Energy: 0.7254451571748621
Energy: 0.795725491569211
Energy: 0.7723556550884618
Energy: 0.6466796083813187
Energy: 0.7723556550884618
Energy: 0.6290745601640896
Energy: 0.7011269308668541
Energy: 0.7840201291614709
Energy: 0.7011269308705481
Energy: 0.749349760132025
Energy: 0.7258752836493363
Energy: 0.6571201436824348
Energy: 0.725875283654508
Energy: 0.6641062321752742
Energy: 0.7591857923870303
Energy: 0.6746766127751634
Energy: 0.7591857923892468
Energy: 0.7597697070524301
Energy: 0.7644901276952198
Energy: 0.6537577787955668
Energy: 0.7644901276974364
Energy: 0.6727254514919417
Energy: 0.7316013719222451
Energy: 0.7183280866284937
Energy: 0.7316013719200286
Energy: 0.7180134233009522
Energy: 0.7486244085658992
Energy: 0.643866648075542
Energy: 0.7486244085651603
Energy: 0.7523911858854951
Energy: 0.7442549371967803
Energy: 0.6864052609233263
Energy: 0.7442549371953026
Energy: 0.758324761422604
Energy: 0.7500691550643246
Energy: 0.6544396608244799
Energy: 0.7500691550621081
Energy: 0.67226826314941
Energy: 0.7639401252971845
Energy: 0.7863879663008813
Energy: 0.7639401252971845
Energy: 0.7322542439999761
Energy: 0.7472429699155814
Energy: 0.6562596392945355
Energy: 0.7472429699104096
Energy: 0.6641309799007156
Energy: 0.7524835057755931
Energy: 0.7981519042514867
Energy: 0.7524835057918472
Energy: 0.7722039129496928
Energy: 0.7544208483731797
Energy: 0.6275642517348496
Energy: 0.7544208483753961
Energy: 0.6293485078540738
Energy: 0.7351664224653908
Energy: 0.7951392787924267
Energy: 0.7351664224616967
Energy: 0.7720321882897393
Energy: 0.7235939631470543
Energy: 0.6308709138720108
Energy: 0.7235939631440991
Energy: 0.6214714091067873
Energy: 0.7318303261908841
Energy: 0.7734819789266865
Energy: 0.7318303261908841
Energy: 0.6855934375036946
Energy: 0.7342805337592071
Energy: 0.6449151624542412
Energy: 0.7342805337584682
Energy: 0.6859029275662809
Energy: 0.7207307335199282
Energy: 0.7604701139559576
Energy: 0.7207307335214058

minimum gb energy = 0.6214714091067873 eV
minimum distance =  2.2404496671063 Angstroms
sigma value = 85


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

Energy: 0.7057665394311318
Energy: 0.7319889129894026
Energy: 1.2153431362574996
Energy: 0.7319889129874801
Energy: 0.7386257854808541
Energy: 0.6942106430437956
Energy: 0.6233218570305016
Energy: 0.6942106430425139
Energy: 0.7049505764938776
Energy: 0.6877157857023085
Energy: 0.7167358695863063
Energy: 0.6877157857048716
Energy: 0.7451161969356438
Energy: 0.7112698015672734
Energy: 0.6219133554068401
Energy: 0.7112698015666326
Energy: 0.6658937296794694
Energy: 0.7195712765357981
Energy: 0.8224497126414386
Energy: 0.7195712765338758
Energy: 0.7457042639080125
Energy: 0.6987191772446883
Energy: 0.6274986012377799
Energy: 0.6987191772434068
Energy: 0.6157840334061299
Energy: 0.6756325745189374
Energy: 0.7991469906885911
Energy: 0.6756325745202191
Energy: 0.7662276633394979
Energy: 0.7065300507004751
Energy: 0.5976434566181056
Energy: 0.7065300507004751
Energy: 0.6411383848432901
Energy: 0.7123955548218206
Energy: 0.797276771222689
Energy: 0.7123955548224613
Energy: 0.7673243534776604
Energy: 0.6720082961398335
Energy: 0.6291654721950676
Energy: 0.6720082961391926
Energy: 0.609001773230116
Energy: 0.6896525487583397
Energy: 0.776684966985423
Energy: 0.6896525487564175
Energy: 0.6564748541047808
Energy: 0.6612934029498334
Energy: 0.6655054685421578
Energy: 0.6612934029459887
Energy: 0.6210676780084257
Energy: 0.7046901926210478
Energy: 0.7648008381883843
Energy: 0.7046901926210478
Energy: 0.7311266003847092
Energy: 0.7035511340342748
Energy: 0.7342561072510622
Energy: 0.7035511340342748
Energy: 0.6120843501224913
Energy: 0.7221043402965324
Energy: 0.7379568322191165
Energy: 0.7221043402971733
Energy: 0.7638314181883363
Energy: 0.7059079271808917
Energy: 0.7359107012642047
Energy: 0.7059079271815326
Energy: 0.6122211808381717
Energy: 0.7080166200966235
Energy: 0.7515021315674077
Energy: 0.7080166200979051
Energy: 0.7671750331018655
Energy: 0.6638733237411393
Energy: 0.7342472900742971
Energy: 0.663873323738576
Energy: 0.6178907465707874
Energy: 0.6992987159970565
Energy: 0.7406223724239702
Energy: 0.6992987159957748
Energy: 0.7275246124211496
Energy: 0.7579623875401532
Energy: 0.6404057502031637
Energy: 0.7579623875382309
Energy: 0.615472697241104
Energy: 0.6958705276904961
Energy: 0.7699606963090018
Energy: 0.6958705276917777
Energy: 0.7923744705261856
Energy: 0.6531574280768185
Energy: 0.628991554889928
Energy: 0.6531574280774594
Energy: 0.6335623871508296
Energy: 0.7102522847409989
Energy: 0.7671599913702059
Energy: 0.7102522847422805
Energy: 0.7385576234611343
Energy: 0.6837435361612649
Energy: 0.5994430392704437
Energy: 0.6837435361619055
Energy: 0.6406260404432083
Energy: 0.6857955229479158
Energy: 0.7856069193734119
Energy: 0.685795522947275
Energy: 0.7751690099248313
Energy: 0.6436179992033069
Energy: 0.637370352596051
Energy: 0.6436179991943359
Energy: 0.6202132805337305
Energy: 0.6920116490793186
Energy: 0.6593906863179333
Energy: 0.6920116490793186
Energy: 0.7005049865504933
Energy: 0.6746495053685276
Energy: 0.6272490928610593
Energy: 0.67464950537045
Energy: 0.7162936128753358
Energy: 0.6693533063999663
Energy: 0.703106689810544
Energy: 0.6693533064006071
Energy: 0.7394120401413917
Energy: 0.7498574039227893
Energy: 0.6121368944545319
Energy: 0.7498574039227893
Energy: 0.7276534249209549
Energy: 0.7064183206213056
Energy: 0.6498347719793314
Energy: 0.7064183206251503
Energy: 0.7119578853526444
Energy: 0.6606127822016952
Energy: 0.5988087946780553
Energy: 0.6606127822042583
Energy: 0.7064208165241039
Energy: 0.7154949364432616
Energy: 0.7799376277591774
Energy: 0.7154949364458248
Energy: 0.7404233139732669
Energy: 0.6946138310478736
Energy: 0.6004783035504209
Energy: 0.6946138310478736
Energy: 0.6204117702128019
Energy: 0.7213035808138927
Energy: 0.7269396297842838
Energy: 0.7213035808145335
Energy: 0.7302996160516018
Energy: 0.6995416532539069
Energy: 0.6150328273493706
Energy: 0.6995416532558292
Energy: 0.6405100621527015
Energy: 0.7054204407793101
Energy: 0.7927444469892235
Energy: 0.7054204407786693
Energy: 0.7683372416686306
Energy: 0.7071699309481841
Energy: 0.6349829326517029
Energy: 0.7071699309469026
Energy: 0.6335166728015644
Energy: 0.6824457771114975
Energy: 0.7459497494902658
Energy: 0.682445777112779
Energy: 0.747897396404061
Energy: 0.6509689293823989
Energy: 0.5961976181219208
Energy: 0.6509689293804767
Energy: 0.6227796834857373
Energy: 0.728331249251672
Energy: 0.7698142308925199
Energy: 0.728331249251672
Energy: 0.6596692571346615
Energy: 0.6919116536369143
Energy: 0.6389206356798719
Energy: 0.6919116536375552
Energy: 0.6210877218087769
Energy: 0.6893827595796267
Energy: 0.7268204761628928
Energy: 0.689382759578345

minimum gb energy = 0.5961976181219208 eV
minimum distance =  2.23953183941441 Angstroms
sigma value = 113


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

Energy: 0.019435936251325097
Energy: 0.01948991706822198
Energy: 1.7241355610404259
Energy: 0.019489917064363267
Energy: 0.5221031499360896
Energy: 0.2071273053241126
Energy: 0.9384411105832231
Energy: 0.20712730532794393
Energy: 0.019435936251325097
Energy: 0.0194899170658137
Energy: 1.7241355610404259
Energy: 0.0194899170658137
Energy: 0.522103149935597
Energy: 0.20712730532794393
Energy: 0.9384411105832231
Energy: 0.20712730532652085
Energy: 0.019435936251325097
Energy: 0.01948991706822198
Energy: 1.7241355610409186
Energy: 0.019489917063870658
Energy: 0.522103149935597
Energy: 0.20712730532794393
Energy: 0.9384411105832231
Energy: 0.2071273053241126

minimum gb energy = 0.019435936251325097 eV
minimum distance =  2.28103201126239 Angstroms
sigma value = 1