Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614958965778353
cohesive_energy=3.5402732499842564
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71517669810712e-19, 3.14797267224954e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.763799851171219e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61300153249024e-19, 5.639020881026399e-19, 5.65733375995302e-19, 5.668132430466179e-19, 5.671673240827319e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40834239704088e-19, 2.84828553285984e-19, 2.15207569832148e-19, 1.281053973424014e-19, 1.8459798523957798e-20, -1.210232959671312e-19, -3.02069576044458e-19, -5.43419862013584e-19, -8.715424323035158e-19, -1.322185051972062e-18]
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: 0.013668640377531313
Energy: 0.3169533298038902
Energy: 0.014344321444067496
Energy: 0.014101408710053423
Energy: 0.31667671993810115
Energy: 0.014263524019206096
Energy: 0.31695332980479624
Energy: 0.09683728899137357
Energy: 0.09657614413146479
Energy: 0.09671345768692802
Energy: 0.09684662467069537
Energy: 0.097138320000298
Energy: 0.014344321444381112
Energy: 0.0965761441317784
Energy: 0.09694758728187614
Energy: 0.014370048235303681
Energy: 0.0967564617921178
Energy: 0.09719940518940172
Energy: 0.01410140871099427
Energy: 0.09671345768692802
Energy: 0.014370048235303681
Energy: 0.01418533024185196
Energy: 0.09671837399396971
Energy: 0.014303739866255973
Energy: 0.3166767199405404
Energy: 0.09684662467038177
Energy: 0.0967564617921178
Energy: 0.09671837399334247
Energy: 0.09678184478064505
Energy: 0.09692385880493412
Energy: 0.014263524020425713
Energy: 0.09713831999845116
Energy: 0.09719940518727611
Energy: 0.014303739868102818
Energy: 0.09692385880493412
Energy: 0.014305376766076109

minimum gb energy = 0.013668640377531313 eV
minimum distance =  2.55252100886073 Angstroms
sigma value = 1


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

Energy: 1.0576132389677244
Energy: 0.6174671295463489
Energy: 0.6288788028130649
Energy: 0.6194752631471229
Energy: 0.6084223849843857
Energy: 0.627037787649415
Energy: 0.9264655289221521
Energy: 0.5923201604848437
Energy: 0.5924931139527743
Energy: 0.614425707763869
Energy: 0.5923365293387071
Energy: 0.6035001173730623
Energy: 0.9408443464739173
Energy: 0.6059226690866613
Energy: 0.6064413004926464
Energy: 0.6070572498187274
Energy: 0.5983860670430001
Energy: 0.6090414398057354
Energy: 0.999565606835549
Energy: 0.6067172184362383
Energy: 0.6065517058426396
Energy: 0.5968410235135424
Energy: 0.6075159591552035
Energy: 0.5964431444771157
Energy: 0.9265815645288846
Energy: 0.6015270298200419
Energy: 0.6034038806887102
Energy: 0.6180094173301751
Energy: 0.5903349979534173
Energy: 0.6037797643841455
Energy: 0.9195075318957389
Energy: 0.6119325274807148
Energy: 0.6077329161736297
Energy: 0.6068629304589722
Energy: 0.6006641144324193
Energy: 0.606979687266177
Energy: 0.9220818659362897
Energy: 0.6004958406920239
Energy: 0.6018339498394722
Energy: 0.6065712586932316
Energy: 0.5999558167843401
Energy: 0.606872843244075
Energy: 0.884119044487002
Energy: 0.6045951496275673
Energy: 0.604649357084375
Energy: 0.5925654567438924
Energy: 0.6038943815410471
Energy: 0.5994308749298368
Energy: 0.7747217642841026
Energy: 0.6074992198916427
Energy: 0.6061186295079231
Energy: 0.6015250471763988
Energy: 0.6073023808217629
Energy: 0.6063749173925561
Energy: 0.7728016159437302
Energy: 0.614640576550901
Energy: 0.6104613509300131
Energy: 0.5952845329122545
Energy: 0.6168348365370074
Energy: 0.6035752681638102
Energy: 0.7668462151693041
Energy: 0.5884112881295391
Energy: 0.5877219916517046
Energy: 0.626787148968093
Energy: 0.5888352822158157
Energy: 0.5925751888724651
Energy: 0.6879991414301797
Energy: 0.6097541547468078
Energy: 0.6106323623730484
Energy: 0.5983856828856622
Energy: 0.6047034647357711
Energy: 0.5923248976747923
Energy: 0.6876642970575716
Energy: 0.6165522600939674
Energy: 0.615266737002846
Energy: 0.5944002703193123
Energy: 0.6059307837823913
Energy: 0.5925417371379059
Energy: 0.7488611753585906
Energy: 0.5866148946042175
Energy: 0.5875891454107671
Energy: 0.615747499296111
Energy: 0.5881496303814309
Energy: 0.5882598035730133
Energy: 0.7162494903423314
Energy: 0.6141774238823043
Energy: 0.6034326741760944
Energy: 0.5929001228239382
Energy: 0.617362215975438
Energy: 0.5927269674520415
Energy: 0.7169466470751014
Energy: 0.6022703935357233
Energy: 0.6015488079610707
Energy: 0.6158756260480691
Energy: 0.6025474239633087
Energy: 0.616965787118073
Energy: 0.8501713169813716
Energy: 0.6057145484126483
Energy: 0.60703860416136
Energy: 0.5980163725743071
Energy: 0.6073719173723644
Energy: 0.6062356716442175
Energy: 0.8495023759735156
Energy: 0.6014556881421401
Energy: 0.5998806395978038
Energy: 0.5999734562072125
Energy: 0.6017490090473412
Energy: 0.6166829753275372
Energy: 0.8503690868832966
Energy: 0.610630012829218
Energy: 0.6085582839451772
Energy: 0.6010186512462887
Energy: 0.5994614060940245
Energy: 0.6166245378656061
Energy: 0.8934473846598667
Energy: 0.6006286397434382
Energy: 0.616190054669209
Energy: 0.6021337591877013
Energy: 0.5993361707517213
Energy: 0.6083752075580404
Energy: 0.9530374107751104
Energy: 0.5978823149938823
Energy: 0.5892825540239712
Energy: 0.6029980247167022
Energy: 0.5977071291163657
Energy: 0.5900854844130211
Energy: 0.9669987057341365
Energy: 0.6064593023833522
Energy: 0.6169942672212863
Energy: 0.6021538698116946
Energy: 0.607415362890044
Energy: 0.6016703382932327
Energy: 0.9560059948865163
Energy: 0.5920726380392448
Energy: 0.5921760638358654
Energy: 0.6228538951059209
Energy: 0.5954927512164728
Energy: 0.6031828725870435

minimum gb energy = 0.5866148946042175 eV
minimum distance =  2.40898091882814 Angstroms
sigma value = 33


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

Energy: 1.290110223828584
Energy: 0.6711487021322007
Energy: 0.6530328436347977
Energy: 0.6471890791513977
Energy: 0.6769380797483789
Energy: 0.7328602725179106
Energy: 0.698092381452177
Energy: 0.6250272241450889
Energy: 0.5970218421416137
Energy: 0.6131001577080324
Energy: 0.6260770606832919
Energy: 0.5961944215861468
Energy: 0.6813917015260476
Energy: 0.6044574964014676
Energy: 0.6270060728403472
Energy: 0.6823856947582728
Energy: 0.6171048736336192
Energy: 0.6145263791745876
Energy: 0.6892018089534285
Energy: 0.7171632945943422
Energy: 0.6454479462878552
Energy: 0.6753322417313418
Energy: 0.7161952372760221
Energy: 0.6841403387056423
Energy: 0.6742908272703206
Energy: 0.6081519663222656
Energy: 0.6142719968850546
Energy: 0.6070067019277108
Energy: 0.5967802013443927
Energy: 0.6146716958162963
Energy: 0.675860922091354
Energy: 0.6260678192409469
Energy: 0.7200941386652853
Energy: 0.6857303337611907
Energy: 0.6285119828479445
Energy: 0.6461040244918288
Energy: 0.6750975171244153
Energy: 0.7052956458647176
Energy: 0.6882881287182402
Energy: 0.6853231802149562
Energy: 0.7061015068246171
Energy: 0.690423500076296
Energy: 0.8892231087959894
Energy: 0.6780963041139666
Energy: 0.6535838261039474
Energy: 0.6256224249812754
Energy: 0.6773373223005003
Energy: 0.6561119304280923
Energy: 0.6899437106361512
Energy: 0.6775302884142587
Energy: 0.6925972664489208
Energy: 0.6894640246825305
Energy: 0.6751692928721204
Energy: 0.7141034605157207
Energy: 0.8045797452469013
Energy: 0.6802969452310502
Energy: 0.7062434821680051
Energy: 0.6732982403150343
Energy: 0.6801413582430988
Energy: 0.6656138023625657
Energy: 0.770457187077986
Energy: 0.6562346145943175
Energy: 0.6551008291025954
Energy: 0.7228532607759747
Energy: 0.6140247985492262
Energy: 0.6187735284329182
Energy: 0.708232036418675
Energy: 0.6186522505398065
Energy: 0.6741623514714388
Energy: 0.7037793358736969
Energy: 0.5973758589805805
Energy: 0.6645187371969746
Energy: 0.7304098146956346
Energy: 0.6880511240730194
Energy: 0.7169407127499181
Energy: 0.6788057732698074
Energy: 0.7136068323058069
Energy: 0.6783025467992765
Energy: 0.7152543445705505
Energy: 0.6586550593137546
Energy: 0.685879434050009
Energy: 0.7375533636571776
Energy: 0.6583889097515325
Energy: 0.6551845994202179
Energy: 0.7341457365042366
Energy: 0.6819639605802474
Energy: 0.6916325816729681
Energy: 0.6824781041997806
Energy: 0.6793330170643447
Energy: 0.6900943305166326
Energy: 0.7093081424912061
Energy: 0.7539195990820113
Energy: 0.7234027021882736
Energy: 0.7126365931036637
Energy: 0.6963821638371357
Energy: 0.726353427230458
Energy: 0.7110066081254002
Energy: 0.7598075137772601
Energy: 0.7457884281532587
Energy: 0.7736654390666946
Energy: 0.696134143302909
Energy: 0.772206301056267
Energy: 0.9044563406162494
Energy: 0.6877148951710905
Energy: 0.6846660487126743
Energy: 0.6769979872987314
Energy: 0.6966138422501178
Energy: 0.6554952488381952
Energy: 0.6646599423930606
Energy: 0.7464611225766448
Energy: 0.753947653326836
Energy: 0.6751070752953938
Energy: 0.7573702585401865
Energy: 0.7789592788506907
Energy: 0.7325564822946622
Energy: 0.743730643891728
Energy: 0.7351779881586619
Energy: 0.7485484226665561
Energy: 0.7515291780953244
Energy: 0.7504965326999243
Energy: 1.0090555745608292
Energy: 0.7167758878317619
Energy: 0.6345349616475487
Energy: 0.5786852391988678
Energy: 0.7165985026247106
Energy: 0.6348640769572469
Energy: 0.5934770947755813
Energy: 0.7726313431343926
Energy: 0.760995949282418
Energy: 0.5978332738919283
Energy: 0.7812583833066535
Energy: 0.7346247183397531
Energy: 0.8811404646802744
Energy: 0.7517232867513085
Energy: 0.733116777200943
Energy: 0.749809159047731
Energy: 0.7552034761482969
Energy: 0.7326237130942568
Energy: 1.07075230196439
Energy: 0.7224185894301238
Energy: 0.7188468242412825
Energy: 0.6970735230057915
Energy: 0.7943559274132476
Energy: 0.7027964238401344
Energy: 0.7378801724223896
Energy: 0.6929088354775077
Energy: 0.6942893557685847
Energy: 0.7444019597241758
Energy: 0.7547330941508392
Energy: 0.7563386950844111
Energy: 0.7017783710583915
Energy: 0.7244443413829454
Energy: 0.7249784759308844
Energy: 0.6991823719875042
Energy: 0.7829223651229121
Energy: 0.6930344356267527
Energy: 0.697175219808499
Energy: 0.7003145626084758
Energy: 0.7060554996241548
Energy: 0.6905953367693553
Energy: 0.6968471643008123
Energy: 0.7241678275342425
Energy: 0.7011101920385184
Energy: 0.6813414321440981
Energy: 0.711503003636276
Energy: 0.6851951807140695
Energy: 0.6762747334670689
Energy: 0.6846751051703515
Energy: 0.6859675663286763
Energy: 0.6806749358873281
Energy: 0.7107402177423767
Energy: 0.6845078798738814
Energy: 0.6769777602422539
Energy: 0.7161064704481872
Energy: 0.8162609703913981
Energy: 0.6851039957360759
Energy: 0.6786648576713218
Energy: 0.6859456854465744
Energy: 0.6822071263894828
Energy: 0.7068820035569837
Energy: 0.7258838482005244
Energy: 0.6001567544815719
Energy: 0.635121374795647
Energy: 0.7190372179663633
Energy: 0.6294533460077982
Energy: 0.6732447306024844
Energy: 0.7390615311744378
Energy: 0.5794206440198796
Energy: 0.5792437729332487
Energy: 0.7086297870593177
Energy: 0.6172425826620909
Energy: 0.704342600523926
Energy: 0.7346927954977097
Energy: 0.683688573683498
Energy: 0.6679298120627347
Energy: 0.6837632891326563
Energy: 0.6856090030586406
Energy: 0.6633779261028463
Energy: 0.7392039267781868
Energy: 0.7040812610915737
Energy: 0.6533213570849759
Energy: 0.7131732352242269
Energy: 0.7042864221206566
Energy: 0.6535857330306658
Energy: 0.6929381224909208
Energy: 0.6866823059416348
Energy: 0.7135938007989563
Energy: 0.6800027410286911
Energy: 0.6852678549144449
Energy: 0.6909375015508961
Energy: 0.7774683075347649
Energy: 0.6189528920996952
Energy: 0.6992888116666127
Energy: 0.6973424197049258
Energy: 0.6189775375171795
Energy: 0.7120631807231369
Energy: 0.6925546251382412
Energy: 0.6254212672310528
Energy: 0.649517259509729
Energy: 0.6652538590457242
Energy: 0.6188672060905983
Energy: 0.6501729215796667
Energy: 0.6647367976799379
Energy: 0.69037260351184
Energy: 0.6418296627761354
Energy: 0.675361098188471
Energy: 0.6090742104465574
Energy: 0.6477169021216959
Energy: 0.9040743346898373
Energy: 0.6059087634052714
Energy: 0.6142130556644717
Energy: 0.6773252581567278
Energy: 0.6248700247514491
Energy: 0.6912750048243866
Energy: 0.6732865734836327
Energy: 0.6109869001819584
Energy: 0.6298251201237275
Energy: 0.6119973875691447
Energy: 0.6057361857253983
Energy: 0.612018003321845
Energy: 0.69403484647177
Energy: 0.6382538747021554
Energy: 0.6348214311343766
Energy: 0.5806672263191789
Energy: 0.6387567879478397
Energy: 0.6856316287433147

minimum gb energy = 0.5786852391988678 eV
minimum distance =  2.31862770596309 Angstroms
sigma value = 51


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

Energy: 1.0991665832646762
Energy: 0.6364181402075849
Energy: 0.6406154183883901
Energy: 0.6438857980246337
Energy: 0.6366667348992028
Energy: 0.6427077407551747
Energy: 0.8280755594046424
Energy: 0.6371069280532815
Energy: 0.6303111766732497
Energy: 0.6519690450344003
Energy: 0.636765534524003
Energy: 0.626120383200856
Energy: 0.9617147400795119
Energy: 0.6362144125112789
Energy: 0.6368645244446894
Energy: 0.6418210754591508
Energy: 0.6374736879705477
Energy: 0.6322243729540361
Energy: 0.9421507859759165
Energy: 0.636718724260814
Energy: 0.6387075642200035
Energy: 0.64343448500285
Energy: 0.6332635181025545
Energy: 0.6228866796721985
Energy: 0.8273032797521297
Energy: 0.6519613239548256
Energy: 0.6601102186659891
Energy: 0.6542090800495202
Energy: 0.6511396811268749
Energy: 0.6598968585381629
Energy: 0.8263294453104121
Energy: 0.6530855342020261
Energy: 0.6577672060012777
Energy: 0.6502176317042837
Energy: 0.6506378629587045
Energy: 0.6575823890038082
Energy: 0.8278347275425335
Energy: 0.6505254350179478
Energy: 0.6594597759130014
Energy: 0.6508853255838781
Energy: 0.6511547021316753
Energy: 0.6592350903141413
Energy: 0.8249540034989765
Energy: 0.6228413043866572
Energy: 0.6292865204812077
Energy: 0.6444465465475114
Energy: 0.6229708768509217
Energy: 0.6294733139959566
Energy: 0.7027023514481209
Energy: 0.6231588506023088
Energy: 0.629687793430475
Energy: 0.6374410167029567
Energy: 0.6232682636652577
Energy: 0.6315274321403073
Energy: 0.7034364932999455
Energy: 0.6590246487953669
Energy: 0.6274148853111391
Energy: 0.6365935551745281
Energy: 0.6255030478482585
Energy: 0.6308417153368804
Energy: 0.7012156675163944
Energy: 0.6308980967957596
Energy: 0.626962028383955
Energy: 0.6351380048218871
Energy: 0.6259557260932841
Energy: 0.6254529317614803
Energy: 0.7341458954030025
Energy: 0.625039083433118
Energy: 0.641309919616263
Energy: 0.6314026365802112
Energy: 0.630646997392883
Energy: 0.6244083530465372
Energy: 0.7323231746282884
Energy: 0.6430824137568989
Energy: 0.6467758405038359
Energy: 0.6532121067241978
Energy: 0.6437533869741772
Energy: 0.6323901968455975
Energy: 0.7341795141980899
Energy: 0.6279174074292913
Energy: 0.6286747545134779
Energy: 0.6315596449070032
Energy: 0.6269486767862469
Energy: 0.628559266610646
Energy: 0.881915596319694
Energy: 0.628626970753733
Energy: 0.641424044423066
Energy: 0.6193717584981976
Energy: 0.6261598069491798
Energy: 0.64099493631396
Energy: 0.8798682565344649
Energy: 0.6331902571064768
Energy: 0.6467029742614463
Energy: 0.6522752512184224
Energy: 0.6313931461501122
Energy: 0.619747564055129
Energy: 0.8906385234006128
Energy: 0.6350756438115964
Energy: 0.6487793415565417
Energy: 0.651465566454628
Energy: 0.6322246831785496
Energy: 0.6417714368570595
Energy: 1.0033728952810117
Energy: 0.6244244697676649
Energy: 0.6249725684817764
Energy: 0.6214668813284776
Energy: 0.6242086606655104
Energy: 0.6248301994323892

minimum gb energy = 0.6193717584981976 eV
minimum distance =  2.3924889919139 Angstroms
sigma value = 19


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

Energy: 0.9163020133983426
Energy: 0.5744346914235241
Energy: 0.5924542087611459
Energy: 0.6475751008812168
Energy: 0.5767423270031916
Energy: 0.5942082864738484
Energy: 0.7781108590984194
Energy: 0.5748453455427708
Energy: 0.5750260757229352
Energy: 0.6003104801238222
Energy: 0.5741420141705261
Energy: 0.5747826962863752
Energy: 0.9574797190800245
Energy: 0.5739166232366656
Energy: 0.574303637157884
Energy: 0.6108008264861922
Energy: 0.5738568648558706
Energy: 0.574415879519245
Energy: 0.7703274888571361
Energy: 0.5741768318330918
Energy: 0.5746780394927122
Energy: 0.5905519767279278
Energy: 0.574606822556618
Energy: 0.5752499469547812
Energy: 0.7784906952663179
Energy: 0.5746196306009185
Energy: 0.5983302989727953
Energy: 0.5983661481720988
Energy: 0.5746754656934182
Energy: 0.5985401048469137
Energy: 0.7755290535124589
Energy: 0.5504931015231326
Energy: 0.595935219386338
Energy: 0.5996410120759866
Energy: 0.5502821501671641
Energy: 0.5956438980815382
Energy: 0.7771540531061344
Energy: 0.5997530924206906
Energy: 0.5973750230390648
Energy: 0.6008282944233916
Energy: 0.5600831045036204
Energy: 0.5971797376034308
Energy: 0.7346781505516483
Energy: 0.5512028525844076
Energy: 0.5507204934622898
Energy: 0.57537781876015
Energy: 0.5534799424157828
Energy: 0.550693347702696
Energy: 0.6417478482306808
Energy: 0.5510222372730866
Energy: 0.5508923371811298
Energy: 0.5741712029347893
Energy: 0.5519454595635085
Energy: 0.5508665011981473
Energy: 0.6409423167377749
Energy: 0.5750982542544408
Energy: 0.5746838515087952
Energy: 0.5741612609805569
Energy: 0.5993562833819498
Energy: 0.5745402036161942
Energy: 0.6388086806487012
Energy: 0.6124286479291547
Energy: 0.6122650248242867
Energy: 0.5730819814757975
Energy: 0.6125304034848565
Energy: 0.5748091520554792
Energy: 0.7772355694841795
Energy: 0.5993353766097222
Energy: 0.5990319627910857
Energy: 0.5744968591731734
Energy: 0.5995569644531014
Energy: 0.5744229805346687
Energy: 0.6184921278582708
Energy: 0.5983895675920904
Energy: 0.599245061825082
Energy: 0.5498758098105678
Energy: 0.5989050756748885
Energy: 0.5996835931381408
Energy: 0.7779722767298412
Energy: 0.5999183928750436
Energy: 0.5993630525758655
Energy: 0.5746790433771215
Energy: 0.6002942307716144
Energy: 0.599165310256657
Energy: 0.9161813096127008
Energy: 0.5745571864831077
Energy: 0.5746732976044095
Energy: 0.5514101434583539
Energy: 0.5745588242033587
Energy: 0.5508253534502923
Energy: 0.917899262369056
Energy: 0.577434088122468
Energy: 0.5503988199012221
Energy: 0.5523524849049138
Energy: 0.5750030951296166
Energy: 0.5505359421767415
Energy: 0.77843226671329
Energy: 0.5745564431138843
Energy: 0.5750141413691593
Energy: 0.6010474451411595
Energy: 0.5740254416549819
Energy: 0.5747061979819582
Energy: 0.7708819515177214
Energy: 0.5740588941288997
Energy: 0.5747750132123358
Energy: 0.5897791669943713
Energy: 0.5740447093514321
Energy: 0.5755220794181297
Energy: 0.7724891058159353
Energy: 0.5737754184014481
Energy: 0.5740536222133699
Energy: 0.5912649207446162
Energy: 0.573768735940346
Energy: 0.5748112582249166
Energy: 0.77795927116586
Energy: 0.5502896514948832
Energy: 0.5971125666327068
Energy: 0.5983415892304096
Energy: 0.5503297635254973
Energy: 0.5965818881241297
Energy: 0.77217853204407
Energy: 0.5979746030111985
Energy: 0.5982209987457149
Energy: 0.6006224092167269
Energy: 0.5983901923998259
Energy: 0.5987624093551142
Energy: 0.7774839947811678
Energy: 0.600083597380302
Energy: 0.5996209793865395
Energy: 0.5997727956847353
Energy: 0.6000759973682402
Energy: 0.5990697020306497
Energy: 0.73608213135496
Energy: 0.6483765507458811
Energy: 0.6105403955566011
Energy: 0.6714820187211786
Energy: 0.6481818084280284
Energy: 0.6108233792137617
Energy: 0.6413174231004473
Energy: 0.5754191421449479
Energy: 0.574817303280255
Energy: 0.5741139781996611
Energy: 0.5853311824801428
Energy: 0.5746570140587001
Energy: 0.6414497589848607
Energy: 0.6117410456030098
Energy: 0.574267904829476
Energy: 0.5739363777334239
Energy: 0.622270393203766
Energy: 0.5743071208597536
Energy: 0.736787537825977
Energy: 0.590837333098857
Energy: 0.5908925850319943
Energy: 0.6728493743067796
Energy: 0.5906999024383278
Energy: 0.5743769658755193
Energy: 0.7775943051784335
Energy: 0.5995329436352889
Energy: 0.5989140956947842
Energy: 0.5996467505460027
Energy: 0.5984268734212388
Energy: 0.5985159260271712
Energy: 0.6193887294955184
Energy: 0.5984540681608452
Energy: 0.5963489239162204
Energy: 0.5502543095074858
Energy: 0.5992079452956521
Energy: 0.5955876176206293
Energy: 0.73444297698622
Energy: 0.5995207033067181
Energy: 0.5974381123756191
Energy: 0.5599305313209069
Energy: 0.5999201593416177
Energy: 0.5965403637741683
Energy: 0.9154107549581341
Energy: 0.5754432299015854
Energy: 0.5508507798787595
Energy: 0.5528199383340667
Energy: 0.5748129320197964
Energy: 0.550853547650211

minimum gb energy = 0.5498758098105678 eV
minimum distance =  2.42306212756456 Angstroms
sigma value = 27


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

Energy: 0.7625648514223666
Energy: 1.1914815717813207
Energy: 0.6743708854197044
Energy: 0.5795131413203947
Energy: 1.1918529724340763
Energy: 0.6744826233066592
Energy: 0.7541902059082284
Energy: 0.6230356468392911
Energy: 0.5709636405554523
Energy: 0.5652105008751542
Energy: 0.6228623694703065
Energy: 0.5598599808699607
Energy: 0.6872048670898503
Energy: 0.6209523527703148
Energy: 0.5707124513884544
Energy: 0.5727220410340902
Energy: 0.6195090945797426
Energy: 0.5698358861702073
Energy: 0.7545599713859339
Energy: 0.5768442125009516
Energy: 0.5692345691648408
Energy: 0.6065309044305079
Energy: 0.605125472182406
Energy: 0.554852653379968
Energy: 0.7562902228639072
Energy: 0.5385479123471557
Energy: 0.565695758981694
Energy: 0.6055688914988576
Energy: 0.5260991708556175
Energy: 0.569895839306169
Energy: 0.6424101233498635
Energy: 0.5227411617907239
Energy: 0.5243508840851948
Energy: 0.619132781473446
Energy: 0.5233025885961446
Energy: 0.5383759586699989
Energy: 0.6460594293058423
Energy: 0.5639708240615499
Energy: 0.5699797515427067
Energy: 0.6213168872528982
Energy: 0.5652975818823642
Energy: 0.5696417465339766
Energy: 0.6455067553307929
Energy: 0.5628649160607779
Energy: 0.5606727854097542
Energy: 0.6226715283829186
Energy: 0.5789088360991159
Energy: 0.5652644533201802
Energy: 0.6865914911599593
Energy: 0.5631140935777688
Energy: 0.5601732567741047
Energy: 0.6232124174402924
Energy: 0.5761779906760022
Energy: 0.5550206364498
Energy: 0.6872915382882304
Energy: 0.5712196750343058
Energy: 0.5827673807117935
Energy: 0.5796702624376037
Energy: 0.5768985818459208
Energy: 0.5812767828933788
Energy: 0.6882170717220607
Energy: 0.5749393162639763
Energy: 0.5760915013801869
Energy: 0.5802060775317452
Energy: 0.5761442125920498
Energy: 0.5783775485723346
Energy: 0.6862749812204301
Energy: 0.5693120476252739
Energy: 0.5693273158326162
Energy: 0.5657370748069221
Energy: 0.5707800673440722
Energy: 0.559861353257879

minimum gb energy = 0.5227411617907239 eV
minimum distance =  2.43626147497319 Angstroms
sigma value = 9


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

Energy: 1.3850843233337047
Energy: 0.513096255879934
Energy: 0.5902243022377889
Energy: 0.5048101486308139
Energy: 0.5130614646674454
Energy: 0.4932578883685754
Energy: 0.5553021312754193
Energy: 0.5013433654157053
Energy: 0.5304952598346738
Energy: 0.5017586515014848
Energy: 0.5310711385617688
Energy: 0.49976273154865947
Energy: 0.5768662098012571
Energy: 0.5260708319484747
Energy: 0.5273902891765025
Energy: 0.5294582698211343
Energy: 0.5278030943123422
Energy: 0.5016932612684469
Energy: 0.5769791961226121
Energy: 0.5139223168987558
Energy: 0.5137717738570022
Energy: 0.5350592195922258
Energy: 0.5288382183782948
Energy: 0.5010701515350803
Energy: 0.611975432777561
Energy: 0.5340792580712662
Energy: 0.5422126097397774
Energy: 0.5558786921294877
Energy: 0.5341915622708537
Energy: 0.5174158583746845
Energy: 0.570866718528037
Energy: 0.5542890391531726
Energy: 0.5126531573073753
Energy: 0.5808891491388413
Energy: 0.553022639253047
Energy: 0.5045189610993666
Energy: 0.571861737028835
Energy: 0.5016842839746213
Energy: 0.5017382677671726
Energy: 0.56816815808433
Energy: 0.5019787332593156
Energy: 0.557939002572089
Energy: 0.5737141417678763
Energy: 0.533605710792315
Energy: 0.5403734721235015
Energy: 0.5573950894970928
Energy: 0.5448733025660571
Energy: 0.520879217359405
Energy: 0.5483801838618869
Energy: 0.5541119702926927
Energy: 0.5447208552054587
Energy: 0.5604282868823272
Energy: 0.5528384643314277
Energy: 0.537840148970949
Energy: 0.5310038448449197
Energy: 0.5121418000808151
Energy: 0.5113242946169247
Energy: 0.5434158023893374
Energy: 0.5415395601384067
Energy: 0.49727213611612625
Energy: 0.5310555503052112
Energy: 0.5558174697412267
Energy: 0.549180081628884
Energy: 0.5374441073036627
Energy: 0.5540941327176627
Energy: 0.532988607993289
Energy: 0.6183498888019199
Energy: 0.5632418753764921
Energy: 0.5577097429769142
Energy: 0.5137663397557662
Energy: 0.56854356441072
Energy: 0.49420985713860716
Energy: 0.787251303541287
Energy: 0.5710281342900096
Energy: 0.5461450597117313
Energy: 0.500963429831619
Energy: 0.5533188549105258
Energy: 0.530697822685429
Energy: 0.6194164281784565
Energy: 0.5144062294018833
Energy: 0.5172403178334255
Energy: 0.5143559268172144
Energy: 0.5519747436347342
Energy: 0.518842407887883
Energy: 0.5574272642402556
Energy: 0.5115082474091416
Energy: 0.5104152141077651
Energy: 0.5323201950380266
Energy: 0.5152676102909022
Energy: 0.5622674716517254
Energy: 0.557014850815298
Energy: 0.5004158769400024
Energy: 0.5041948965281882
Energy: 0.540510629164179
Energy: 0.5333248846053044
Energy: 0.5152184203864217
Energy: 0.5566377493076139
Energy: 0.4985388044137486
Energy: 0.49258596328315796
Energy: 0.5308958861267175
Energy: 0.5118097744711362
Energy: 0.5038788936182861
Energy: 0.6022431636316135
Energy: 0.48735801901049075
Energy: 0.4997866458177235
Energy: 0.5365848184891231
Energy: 0.508045766752517
Energy: 0.505900026631261
Energy: 0.5776305046099156
Energy: 0.4979049776679013
Energy: 0.4998509198820418
Energy: 0.5107987618386772
Energy: 0.5087064485307998
Energy: 0.5020262556781067
Energy: 0.575070924156099
Energy: 0.5098311138792826
Energy: 0.4999911434697577
Energy: 0.5096848726382239
Energy: 0.5095926730117354
Energy: 0.5012396320465319
Energy: 0.576958389054294
Energy: 0.4990743470046385
Energy: 0.5030791052038299
Energy: 0.5202091444259642
Energy: 0.5108235938658505
Energy: 0.5002244654630501
Energy: 0.5937814165241976
Energy: 0.5161339811845955
Energy: 0.5083871074088949
Energy: 0.5009246062491727
Energy: 0.5173186162165345
Energy: 0.5163703570187921
Energy: 0.5912159137648321
Energy: 0.5183290398585164
Energy: 0.5115869975899883
Energy: 0.5324236918408197
Energy: 0.5309036367652394
Energy: 0.48188713919175563
Energy: 0.5768490873173996
Energy: 0.526860065327937
Energy: 0.5143363064088823
Energy: 0.5275207461209431
Energy: 0.5402143039110154
Energy: 0.5173147631371904
Energy: 0.8001047407402135
Energy: 0.5316398490084779
Energy: 0.5600520335501459
Energy: 0.5473008526930553
Energy: 0.5449318240595404
Energy: 0.5605074876862524
Energy: 0.5766753882446729
Energy: 0.5012759394942374
Energy: 0.5180478850911886
Energy: 0.5273957926089671
Energy: 0.5142291477321775
Energy: 0.5172811965116035
Energy: 0.5490810180865765
Energy: 0.5123688215143257
Energy: 0.5255864147377958
Energy: 0.5477930853739409
Energy: 0.5137817002217893
Energy: 0.5095518086157876
Energy: 0.5716242085514036
Energy: 0.5015436287407806
Energy: 0.49461172717539614
Energy: 0.5690074826331128
Energy: 0.5148181736549781
Energy: 0.4941427326180477
Energy: 0.5715052694002679
Energy: 0.52195391394381
Energy: 0.5479847819272012
Energy: 0.568692197375756
Energy: 0.5533236149925702
Energy: 0.5489576810428249
Energy: 0.5484945298647944
Energy: 0.5342323785090543
Energy: 0.5293588413526741
Energy: 0.530017663038057
Energy: 0.5333811027840532
Energy: 0.5022222630554086
Energy: 0.5311683745600557
Energy: 0.5071717061167133
Energy: 0.5352087657788295
Energy: 0.5707477006846571
Energy: 0.5396478595095544
Energy: 0.5436417962624279
Energy: 0.5307251837876117
Energy: 0.5519593953728654
Energy: 0.5187227584450883
Energy: 0.5436996953760198
Energy: 0.5522383458054916
Energy: 0.5057182791484995
Energy: 0.5640314274041547
Energy: 0.5613247317827682
Energy: 0.5567233352888878
Energy: 0.5586777564365171
Energy: 0.568454793879968
Energy: 0.533992044405549
Energy: 0.5632205205135947
Energy: 0.5519807910165255
Energy: 0.5326921149240501
Energy: 0.5302339328289936
Energy: 0.5686907748237673
Energy: 0.4923700732199388
Energy: 0.5618370325201076
Energy: 0.5167807557564771
Energy: 0.5022215779736017
Energy: 0.5565692374347843
Energy: 0.5553135095008561
Energy: 0.5168583877338032
Energy: 0.5644793331284691
Energy: 0.5097051456912894
Energy: 0.5012426184310912
Energy: 0.5424217167230008
Energy: 0.5123753307536547
Energy: 0.5006465134555287
Energy: 0.5562941771636739
Energy: 0.5309671182621548
Energy: 0.5031318699625723
Energy: 0.5413226387420333
Energy: 0.5446863811090505
Energy: 0.5188337033861602
Energy: 0.5569092895617763
Energy: 0.5030803780092188
Energy: 0.5034999881232037
Energy: 0.5309773784695397
Energy: 0.500951078975312
Energy: 0.5283100023056271
Energy: 0.5429301430987737
Energy: 0.5056622032740473
Energy: 0.5395311450081217
Energy: 0.5339097044670398
Energy: 0.49686757168973444
Energy: 0.5379234976532481
Energy: 0.5780737695724015
Energy: 0.5028751424864527
Energy: 0.503603223596063
Energy: 0.5303507787150396
Energy: 0.5024032312764347
Energy: 0.5056363177997504
Energy: 0.5727944329283835
Energy: 0.5028137209630241
Energy: 0.503809029318966
Energy: 0.5094064044521323
Energy: 0.5006536378012988
Energy: 0.5027492428062859
Energy: 0.5776259726067073
Energy: 0.5105669979061256
Energy: 0.51486764105234
Energy: 0.49945448017489885
Energy: 0.5101182446445375
Energy: 0.49877157000964084
Energy: 0.5913118018533051
Energy: 0.5006516271993582
Energy: 0.50639290894127
Energy: 0.5331938387054644
Energy: 0.510635244449427
Energy: 0.4814952447366626

minimum gb energy = 0.4814952447366626 eV
minimum distance =  2.39259039579253 Angstroms
sigma value = 57


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

Energy: 0.5222415265503074
Energy: 0.43080873687639
Energy: 0.2526719849972513
Energy: 0.2493880464702384
Energy: 0.4667228827972321
Energy: 0.498216104178654
Energy: 0.631510048811904
Energy: 0.4335578675027606
Energy: 0.4445033734679939
Energy: 0.4798602199739093
Energy: 0.45060414891372674
Energy: 0.448992492106235
Energy: 0.6375520024925112
Energy: 0.4378239967708078
Energy: 0.43909745105453013
Energy: 0.4442865051562231
Energy: 0.4534148993534225
Energy: 0.5747892818244345
Energy: 0.637745134657779
Energy: 0.45113241144900423
Energy: 0.5749314801998902
Energy: 0.5711402214242178
Energy: 0.486270757459832
Energy: 0.44785262466921294
Energy: 0.6322568380607568
Energy: 0.38128614930486776
Energy: 0.3784605266343084
Energy: 0.48692539095246157
Energy: 0.25091779694487515
Energy: 0.5770076046931742
Energy: 0.5662904561980889
Energy: 0.38289846046451514
Energy: 0.3857987939369165
Energy: 0.573089197037334
Energy: 0.25361591810086787
Energy: 0.2652341626884367
Energy: 0.567096867619736
Energy: 0.5729818181975844
Energy: 0.5732084658492607
Energy: 0.5669133041047958
Energy: 0.5852650266522019
Energy: 0.5731842264530216
Energy: 0.7305770707779798
Energy: 0.6646304034939317
Energy: 0.685546360400782
Energy: 0.6385000776978282
Energy: 0.6700973601743018
Energy: 0.7059367002653789
Energy: 0.6708781853163857
Energy: 0.47091655807595517
Energy: 0.6740251313598876
Energy: 0.6761087204281295
Energy: 0.6668768195303312
Energy: 0.6848621317642933
Energy: 0.24991308553496203
Energy: 0.6858135722510479
Energy: 0.25401855587981254
Energy: 0.2503288679842521
Energy: 0.6948812057037898
Energy: 0.26521961325731197
Energy: 0.24995669386855443
Energy: 0.477996577184155
Energy: 0.6669303277866906
Energy: 0.25051158995980377
Energy: 0.6474818516886817
Energy: 0.2525849967109236
Energy: 0.6867812361844539
Energy: 0.6628299629106438
Energy: 0.6911672354532303
Energy: 0.6742330689529485
Energy: 0.6691545817384035
Energy: 0.6813099817244214
Energy: 0.7321483479162625
Energy: 0.5868130066127555
Energy: 0.5751919146609494
Energy: 0.5938144479451302
Energy: 0.5989934698422814
Energy: 0.5981670508797514
Energy: 0.5856593085016193
Energy: 0.5864515320327812
Energy: 0.5849001413894772
Energy: 0.5683945329861703
Energy: 0.5877867035929082
Energy: 0.5775303266114188
Energy: 0.5840749367253208
Energy: 0.25482412760856893
Energy: 0.25232750581850133
Energy: 0.5882783790221684
Energy: 0.38138377692971037
Energy: 0.38791350445757616
Energy: 0.6050351196758404
Energy: 0.5641871963010012
Energy: 0.576528083033548
Energy: 0.4706450549327873
Energy: 0.3881758861673039
Energy: 0.5732854423014017
Energy: 0.6092455724189886
Energy: 0.4484296955228063
Energy: 0.4380041524318961
Energy: 0.5689455795386932
Energy: 0.5884534833241905
Energy: 0.45132006187377927
Energy: 0.6374553589581032
Energy: 0.4716446591855008
Energy: 0.4513460002924642
Energy: 0.45305701967588907
Energy: 0.47148030290715903
Energy: 0.47202408384202027
Energy: 0.5022244185032568
Energy: 0.43267492837346444
Energy: 0.4441941486386942
Energy: 0.2506447072831224
Energy: 0.4336705223922116
Energy: 0.45110353448362517

minimum gb energy = 0.2493880464702384 eV
minimum distance =  2.38485352605733 Angstroms
sigma value = 11


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

Energy: 0.849920993216178
Energy: 0.46525670520860746
Energy: 0.4879547646331194
Energy: 0.4976466420979746
Energy: 0.4623592169143001
Energy: 0.4851271051975928
Energy: 0.42818750589091525
Energy: 0.4382400884645917
Energy: 0.43133823386732995
Energy: 0.4322598520249945
Energy: 0.42712113369533644
Energy: 0.4330992189381654
Energy: 0.4308559074547286
Energy: 0.4338151817214225
Energy: 0.4355896235020169
Energy: 0.42829480480823484
Energy: 0.43352946358910677
Energy: 0.43307259090980205
Energy: 0.43030336749332604
Energy: 0.43865686129315645
Energy: 0.4402195276096111
Energy: 0.4280310747398548
Energy: 0.4316189572988485
Energy: 0.4345029507031574
Energy: 0.42812028584713185
Energy: 0.48516691920427085
Energy: 0.4624034670704942
Energy: 0.43878618120003754
Energy: 0.46889406975893044
Energy: 0.43881380798658454
Energy: 0.4668937518890158
Energy: 0.46610887410100915
Energy: 0.4724945611796897
Energy: 0.43618884111355205
Energy: 0.43955702814861086
Energy: 0.4655016674488338
Energy: 0.4677270793982128
Energy: 0.4295130986920303
Energy: 0.43294128383403746
Energy: 0.4264726480592605
Energy: 0.4324823598073263
Energy: 0.42961145798237615
Energy: 0.4459074185710424
Energy: 0.5145397581593057
Energy: 0.5149017133721921
Energy: 0.4410669359484326
Energy: 0.5151122432728557
Energy: 0.43374297631839825
Energy: 0.46792531956691996
Energy: 0.4345564584597305
Energy: 0.4430160897237985
Energy: 0.44146690786193693
Energy: 0.4273761954265634
Energy: 0.4433119696262093
Energy: 0.6207797060039141
Energy: 0.45649263392629247
Energy: 0.4666515430059348
Energy: 0.43116242112139824
Energy: 0.4630860131233516
Energy: 0.4668034094620299
Energy: 0.4942878605904281
Energy: 0.4541245503414792
Energy: 0.4614893610621045
Energy: 0.4644539338573369
Energy: 0.46022595204503103
Energy: 0.4850822399204533
Energy: 0.5579096646864474
Energy: 0.4197649800620749
Energy: 0.4402026829761066
Energy: 0.4830454789069813
Energy: 0.41639923657041866
Energy: 0.4393258592418444
Energy: 0.6192803328829477
Energy: 0.4215908418073108
Energy: 0.44301512768511075
Energy: 0.5243441932937668
Energy: 0.41781856231392317
Energy: 0.43962034086573076
Energy: 0.5322383711969639
Energy: 0.486113994381028
Energy: 0.4836962307125183
Energy: 0.45047728188632397
Energy: 0.4857655484477435
Energy: 0.48486109871090266
Energy: 0.5355216613890031
Energy: 0.46591932684116577
Energy: 0.47004014921018117
Energy: 0.4712041398669093
Energy: 0.4666028677652433
Energy: 0.4605569458770547
Energy: 0.665379757290254
Energy: 0.4899837486996013
Energy: 0.487007186859786
Energy: 0.45494157682256625
Energy: 0.46842825336804916
Energy: 0.4850048644409386
Energy: 0.7261287687436511
Energy: 0.4652072180409197
Energy: 0.42580326812919267
Energy: 0.4373372416387725
Energy: 0.4716639118831011
Energy: 0.42538710762630394
Energy: 0.5031547043894257
Energy: 0.4555127343749517
Energy: 0.488352011119699
Energy: 0.4439884465051045
Energy: 0.4606394274874555
Energy: 0.48889270790851314
Energy: 0.4990148040245488
Energy: 0.43113054563129727
Energy: 0.4670312288663362
Energy: 0.4347583070336118
Energy: 0.4350282794946106
Energy: 0.4674330046891397
Energy: 0.5892736633884981
Energy: 0.4441703513720665
Energy: 0.5247179798952728
Energy: 0.4445445936607261
Energy: 0.5530367884200088
Energy: 0.4539940505606293
Energy: 0.6647675273607626
Energy: 0.46671123046117513
Energy: 0.4660957997859482
Energy: 0.46506109778031013
Energy: 0.4883442982041415
Energy: 0.45628442544980796
Energy: 0.4329774278241103
Energy: 0.4954418240679273
Energy: 0.4940817749146538
Energy: 0.4581658529758998
Energy: 0.49939032830575586
Energy: 0.48813539335241746
Energy: 0.429921900688549
Energy: 0.46495143375410797
Energy: 0.46232162948590966
Energy: 0.43282546042498893
Energy: 0.46426279873154763
Energy: 0.4560316245365172
Energy: 0.5153406619944298
Energy: 0.43131243539118286
Energy: 0.4330586779979813
Energy: 0.515654885912593
Energy: 0.42961040672269185
Energy: 0.4330527386253696
Energy: 0.5156229924751385
Energy: 0.4284020263894399
Energy: 0.44320968789510456
Energy: 0.47056371479896886
Energy: 0.4272696648312076
Energy: 0.43848126872776155
Energy: 0.49297276407341944
Energy: 0.4290011490400716
Energy: 0.4386063946696667
Energy: 0.46428381982936356
Energy: 0.4392730736191028
Energy: 0.4628577024952752

minimum gb energy = 0.41639923657041866 eV
minimum distance =  2.40554323154952 Angstroms
sigma value = 41


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

Energy: 0.7114409535899732
Energy: 0.5003408105822875
Energy: 0.4922239734118694
Energy: 0.4772781322085283
Energy: 0.5191638935992368
Energy: 0.4880450132202484
Energy: 0.46830222820255996
Energy: 0.47658562013281486
Energy: 0.46985111310506894
Energy: 0.4651757988707184
Energy: 0.47519773556048694
Energy: 0.4636764864424076
Energy: 0.47223519896208127
Energy: 0.4713396957720349
Energy: 0.4656276980752547
Energy: 0.46836812341284806
Energy: 0.47043226596214555
Energy: 0.46579629815411183
Energy: 0.47246748178045234
Energy: 0.4724727199027995
Energy: 0.46506126648513424
Energy: 0.46834645284005416
Energy: 0.4689822374495403
Energy: 0.4669958607481705
Energy: 0.46822331782924065
Energy: 0.47957322458524665
Energy: 0.47753405043037345
Energy: 0.47497269738224174
Energy: 0.4790851569100331
Energy: 0.46391220961265206
Energy: 0.5289663281434523
Energy: 0.4739025073562066
Energy: 0.604143792278495
Energy: 0.47892284623269926
Energy: 0.4678535818660254
Energy: 0.6040749696684108
Energy: 0.5297490691053278
Energy: 0.46675535524150386
Energy: 0.46779664005234867
Energy: 0.46551923483576585
Energy: 0.47586170137521777
Energy: 0.47162958007032124
Energy: 0.49024534415060744
Energy: 0.6063920122988462
Energy: 0.606397977438096
Energy: 0.44600637554127626
Energy: 0.6064127556119466
Energy: 0.4579251701289075
Energy: 0.5293636113309795
Energy: 0.466244036946505
Energy: 0.4638936566866082
Energy: 0.47634193704504385
Energy: 0.4696292874308289
Energy: 0.46447262241993165
Energy: 0.5277621696511243
Energy: 0.4785271527395971
Energy: 0.4724387169160871
Energy: 0.46683701399629424
Energy: 0.6046918288407407
Energy: 0.4710865490681578
Energy: 0.527651361837549
Energy: 0.4762535574371548
Energy: 0.47729567425028024
Energy: 0.46629952444088896
Energy: 0.46721252783226647
Energy: 0.4779448193937502
Energy: 0.5330950399123553
Energy: 0.4565578012181782
Energy: 0.4568841870636805
Energy: 0.47775345952770304
Energy: 0.4465544386199341
Energy: 0.47178237557437286
Energy: 0.6049308758204662
Energy: 0.4458387444079978
Energy: 0.4460212491646115
Energy: 0.6145382791785757
Energy: 0.4467757765060721
Energy: 0.4461345344522369
Energy: 0.47211017993049476
Energy: 0.4697605507865162
Energy: 0.46541179480701067
Energy: 0.4657750314625129
Energy: 0.47645759599192167
Energy: 0.4647169498198454
Energy: 0.6051848230281379
Energy: 0.4781548790870518
Energy: 0.4641627144051828
Energy: 0.6053815549899967
Energy: 0.4926583302543965
Energy: 0.60611464445928
Energy: 0.4687214338462665
Energy: 0.4769356946957837
Energy: 0.47119644942103467
Energy: 0.4753651762984629
Energy: 0.4750506166963963
Energy: 0.4659085276935923
Energy: 0.9533526360609946
Energy: 0.4764585603984577
Energy: 0.4657662508955407
Energy: 0.44544142046172736
Energy: 0.4701929261804658
Energy: 0.6288621902009238
Energy: 0.4885331988253277
Energy: 0.46787021040036036
Energy: 0.46841343344548
Energy: 0.4583861525063047
Energy: 0.47869760619123364
Energy: 0.4472033454709897
Energy: 0.4716031825835681
Energy: 0.46920126626876374
Energy: 0.4683965981942783
Energy: 0.46695953969543713
Energy: 0.46885935788631045
Energy: 0.47166554627327734
Energy: 0.47000594050805933
Energy: 0.46766203410301616
Energy: 0.4644380766318865
Energy: 0.4680640684934304
Energy: 0.4684881557034075
Energy: 0.4668355564310224
Energy: 0.4684589876738946
Energy: 0.4682466016522826
Energy: 0.4633526562478586
Energy: 0.48251958326808414
Energy: 0.4655994930063045
Energy: 0.4647581519879563
Energy: 0.673637024821908
Energy: 0.48258285015724484
Energy: 0.49162717100382514
Energy: 0.6723952873199656
Energy: 0.4916214517619015
Energy: 0.47485286344386635
Energy: 0.5291732362136315
Energy: 0.46915714407261827
Energy: 0.465136913661474
Energy: 0.47469007599443624
Energy: 0.4692127193605969
Energy: 0.46470655674730366
Energy: 0.4903496496057409
Energy: 0.4678370471334242
Energy: 0.6017516854285265
Energy: 0.44561126307251936
Energy: 0.6063523819720202
Energy: 0.4580971385806165
Energy: 0.529885267285617
Energy: 0.46758520826166594
Energy: 0.46793277113948484
Energy: 0.4756027157981776
Energy: 0.4663024388149377
Energy: 0.47089129446547046
Energy: 0.5273738937506588
Energy: 0.467661632177867
Energy: 0.46832234173410214
Energy: 0.46677000176803063
Energy: 0.47530189732331407
Energy: 0.4789272938417264
Energy: 0.5273016846361319
Energy: 0.615610780371431
Energy: 0.47208110313422885
Energy: 0.46728857284752284
Energy: 0.6028410797510951
Energy: 0.47095210832130274
Energy: 0.5274257582979562
Energy: 0.4657719499553691
Energy: 0.4736389518777012
Energy: 0.474052116024162
Energy: 0.45714711310497863
Energy: 0.4669518691736235
Energy: 0.6048088215771611
Energy: 0.44552033845298816
Energy: 0.751273101289528
Energy: 0.6197816899552526
Energy: 0.4657101437192114
Energy: 0.7511501536140435
Energy: 0.4710337303472662
Energy: 0.47658761856385223
Energy: 0.4723911121507828
Energy: 0.46938905069006526
Energy: 0.47502491761411064
Energy: 0.47850787900894476
Energy: 0.607505532730148
Energy: 0.46433132725065035
Energy: 0.46765982967358577
Energy: 0.6075279857231393
Energy: 0.4698516456976992
Energy: 0.6066237936805177
Energy: 0.469562217430256
Energy: 0.4780362207453911
Energy: 0.47418348479743716
Energy: 0.4684241297751979
Energy: 0.4661680148450044
Energy: 0.46913928101345603
Energy: 0.5613637900297377
Energy: 0.47559471290784133
Energy: 0.4478479125241514
Energy: 0.4493736434886909
Energy: 0.4874908791771705
Energy: 0.4485289334024558

minimum gb energy = 0.44544142046172736 eV
minimum distance =  2.40456942430534 Angstroms
sigma value = 33


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

Energy: 0.6179193332008187
Energy: 0.5607903548794374
Energy: 0.9685615109358815
Energy: 0.4983304920424284
Energy: 0.555019567916426
Energy: 0.5027270385720005
Energy: 0.5341741018724996
Energy: 0.5189698450186409
Energy: 0.5173733712128324
Energy: 0.516794588453636
Energy: 0.515811349222184
Energy: 0.5052674165830282
Energy: 0.5277452839502035
Energy: 0.5095659005800005
Energy: 0.5088838851514531
Energy: 0.5194157547658615
Energy: 0.5083761790688021
Energy: 0.5086763272943164
Energy: 0.529166442500593
Energy: 0.519030815884414
Energy: 0.5069474755775788
Energy: 0.5199320239996035
Energy: 0.5078509956308284
Energy: 0.5213504164126497
Energy: 0.5231531753258939
Energy: 0.5200627022055397
Energy: 0.4924082055224729
Energy: 0.5189508661303815
Energy: 0.5317442210458729
Energy: 0.49222968914437326
Energy: 0.6094322529917565
Energy: 0.5061730068853096
Energy: 0.5042562768466989
Energy: 0.5198701142641268
Energy: 0.5220704388882902
Energy: 0.5066795960493005
Energy: 0.5551520322066205
Energy: 0.5171509503044316
Energy: 0.5191125106967692
Energy: 0.5160798456440359
Energy: 0.5313680946513455
Energy: 0.5051717643695351
Energy: 0.615383123600897
Energy: 0.7370053763468091
Energy: 0.49847152336155437
Energy: 0.4916184436018481
Energy: 0.7392707456680855
Energy: 0.49975131516060134
Energy: 0.5549808171259611
Energy: 0.5072126946963187
Energy: 0.5078473790183742
Energy: 0.5362721993828117
Energy: 0.4913833050105642
Energy: 0.49438650454033745
Energy: 0.5570992268389512
Energy: 0.5106735678190546
Energy: 0.510306738017678
Energy: 0.5228538421562688
Energy: 0.5071034718640718
Energy: 0.5097089980938679
Energy: 0.5565963270680645
Energy: 0.5076000054004243
Energy: 0.5068219399619418
Energy: 0.5173234057483868
Energy: 0.5328857586946325
Energy: 0.5053240262353842
Energy: 0.5557866835154166
Energy: 0.5310482327054039
Energy: 0.4889481942081227
Energy: 0.5380958222736821
Energy: 0.5080262800578174
Energy: 0.4893938653690848
Energy: 0.5636665698406392
Energy: 0.4899264310593575
Energy: 0.4894763410070743
Energy: 0.5140763928727032
Energy: 0.49438673056890103
Energy: 0.48957278481831823
Energy: 0.5244263690235069
Energy: 0.5176902173258225
Energy: 0.5047580276767609
Energy: 0.5173202205433018
Energy: 0.5313922500762253
Energy: 0.5044379352094804
Energy: 0.5015887237856081
Energy: 0.5079456934355665
Energy: 0.5082416414665165
Energy: 0.5085156092404314
Energy: 0.5076152975766887
Energy: 0.5185864382186792
Energy: 0.5229347209144197
Energy: 0.5310177488330636
Energy: 0.5181781947835467
Energy: 0.5308491345432623
Energy: 0.5161049975151012
Energy: 0.50438663861565
Energy: 0.6023036083387392
Energy: 0.5078415820409997
Energy: 0.5342755439149575
Energy: 0.524648687799849
Energy: 0.5096264633509149
Energy: 0.5122851820312228
Energy: 0.5577839288842626
Energy: 0.49430225271725525
Energy: 0.492865760914057
Energy: 0.5309768084311144
Energy: 0.5368428345428111
Energy: 0.4923038477393418
Energy: 0.527413726036211
Energy: 0.49554260453232934
Energy: 0.4908585701746956
Energy: 0.5083126775592891
Energy: 0.5355512772813326
Energy: 0.5176344619126334
Energy: 0.4943805603299033
Energy: 0.49121534883858653
Energy: 0.491534942206724
Energy: 0.49292993707514954
Energy: 0.53524576092295
Energy: 0.5069394185782381
Energy: 0.49077560258021724
Energy: 0.5180264386028658
Energy: 0.49358257486386037
Energy: 0.4914926675213983
Energy: 0.4942428132009112
Energy: 0.4925062592668829
Energy: 0.5322243931696576
Energy: 0.5098574106359859
Energy: 0.5098994521412731
Energy: 0.5081959086549688
Energy: 0.511288257105567
Energy: 0.5105711176880683
Energy: 0.5231700703576514
Energy: 0.5174407318903078
Energy: 0.5161012864443625
Energy: 0.5040235513464953
Energy: 0.5296992790193996
Energy: 0.49374612397621725
Energy: 0.5535723417837719
Energy: 0.5187216951524638
Energy: 0.48981516003470066
Energy: 0.5002343934337014
Energy: 0.5205799154809948
Energy: 0.4895083737444313
Energy: 0.5533703014845446
Energy: 0.5299491131231063
Energy: 0.5047371281294152
Energy: 0.5156007699417972
Energy: 0.5186307296185847
Energy: 0.5050397183445616
Energy: 0.530022538655036
Energy: 0.5210152092155577
Energy: 0.5084567668954472
Energy: 0.5202455945597426
Energy: 0.5225979726008405
Energy: 0.5086814298860458
Energy: 0.5274404005482093
Energy: 0.5064813459358735
Energy: 0.5052938599837509
Energy: 0.5192029085200884
Energy: 0.5187103586388212
Energy: 0.5073426857338486
Energy: 0.5235089120173618
Energy: 0.5065153984657524
Energy: 0.4922638763287398
Energy: 0.5176500576344969
Energy: 0.5290632231426542
Energy: 0.5044577323058157
Energy: 0.5342416686153372
Energy: 0.5068174972946616
Energy: 0.5070442995478208
Energy: 0.5358995051579065
Energy: 0.5081792408593028
Energy: 0.509293587010452
Energy: 0.5547448501204792
Energy: 0.5085426254185893
Energy: 0.5110654168969168
Energy: 0.5157298475222296
Energy: 0.5053893543085429
Energy: 0.5049300344622466
Energy: 0.6163969963827403
Energy: 0.5071417193037767
Energy: 0.49845258144538285
Energy: 0.4910992341765648
Energy: 0.5071018090786508
Energy: 0.49893445138930576
Energy: 0.5561836991625173
Energy: 0.5071889164507494
Energy: 0.5065920422392535
Energy: 0.5343948159561057
Energy: 0.4925500994399385
Energy: 0.4941080703720551
Energy: 0.5570726764983667
Energy: 0.5295162047254918
Energy: 0.5078534452452264
Energy: 0.5197827224454663
Energy: 0.5233522460263177
Energy: 0.5070245938735478
Energy: 0.5567725139755219
Energy: 0.541475989550736
Energy: 0.5077676058735354
Energy: 0.51940963757447
Energy: 0.5284783999850482
Energy: 0.5064773207885772
Energy: 0.556427130745307
Energy: 0.5240212204855741
Energy: 0.4899161539792684
Energy: 0.5371487222164892
Energy: 0.525080254310709
Energy: 0.4933781588281698
Energy: 0.5643231019484028
Energy: 0.49016452317464193
Energy: 0.48939357962389274
Energy: 0.5214269219211023
Energy: 0.49744124208919727
Energy: 0.48992823181210005
Energy: 0.523234129538073
Energy: 0.5161857317101309
Energy: 0.5175919439694743
Energy: 0.5171333121845606
Energy: 0.5165580267242718
Energy: 0.5043635032216505
Energy: 0.5051168947856635
Energy: 0.5098415372999888
Energy: 0.5200468722073746
Energy: 0.506696374916122
Energy: 0.5094678285457834
Energy: 0.5193744838222235
Energy: 0.5231005100371462
Energy: 0.516304313569401
Energy: 0.5048276629210257
Energy: 0.5076713606811425
Energy: 0.5164522048581127
Energy: 0.5040841040952981
Energy: 0.6026208923099513
Energy: 0.5190797119182606
Energy: 0.4933426037505555
Energy: 0.5217431454095987
Energy: 0.5193183721935221
Energy: 0.5085553031500714
Energy: 0.5548334922571482
Energy: 0.4945157063325069
Energy: 0.4930738993254598
Energy: 0.5326802994381228
Energy: 0.5386312188449212
Energy: 0.49307430528776663
Energy: 0.5249096043536341
Energy: 0.5176350598791919
Energy: 0.4915817573838839
Energy: 0.5081858492250284
Energy: 0.5345926139130269
Energy: 0.5057391261739779
Energy: 0.531497057791322
Energy: 0.4935905705925141
Energy: 0.49079519627830215
Energy: 0.5091995284825505
Energy: 0.4941906195032027
Energy: 0.4925252416753156
Energy: 0.48972089112892586
Energy: 0.5369548241969143
Energy: 0.5168612371427946
Energy: 0.49052214219545714
Energy: 0.5365089980676795
Energy: 0.5074591410955583
Energy: 0.7362108234843097
Energy: 0.5103320925536429
Energy: 0.5158208498387371
Energy: 0.7370990435578993
Energy: 0.5116773471683397
Energy: 0.51844118621472
Energy: 0.5230486315320115
Energy: 0.5182176423360233
Energy: 0.5062652915743102
Energy: 0.53130156011452
Energy: 0.52894249727967
Energy: 0.5200426117544698
Energy: 0.5559598240638511
Energy: 0.5183390025303481
Energy: 0.4897998743160323
Energy: 0.4960393983695609
Energy: 0.5174468886233595
Energy: 0.48982271025768453

minimum gb energy = 0.4889481942081227 eV
minimum distance =  2.41593317321547 Angstroms
sigma value = 67


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

Energy: 0.7445288558010585
Energy: 0.584284185665651
Energy: 0.5323171696843029
Energy: 0.5331685265228253
Energy: 0.5847490733916229
Energy: 0.5321854795634148
Energy: 0.583031390639625
Energy: 0.546739650352181
Energy: 0.5457092094292251
Energy: 0.5486152097663471
Energy: 0.5484821094918453
Energy: 0.5456219622420501
Energy: 0.586869263415488
Energy: 0.5248000106322287
Energy: 0.550018447361124
Energy: 0.5471925233692854
Energy: 0.5246287195503423
Energy: 0.5501076517189394
Energy: 0.5868192218163659
Energy: 0.545695015432408
Energy: 0.5444890705672953
Energy: 0.5471353607378566
Energy: 0.5461286927652895
Energy: 0.5445026434721622
Energy: 0.5779951625355233
Energy: 0.5487615485921051
Energy: 0.5485353537257684
Energy: 0.576232029930836
Energy: 0.548494071064093
Energy: 0.5488666747343142
Energy: 0.5791281099481281
Energy: 0.5469500389025168
Energy: 0.5516984057278631
Energy: 0.5774310951573597
Energy: 0.544129374417145
Energy: 0.5524040820086425
Energy: 0.6295893587809446
Energy: 0.5471923038259214
Energy: 0.546162684431387
Energy: 0.5240120237891925
Energy: 0.5505032917122592
Energy: 0.5460747326312683

minimum gb energy = 0.5240120237891925 eV
minimum distance =  2.44893209121621 Angstroms
sigma value = 3


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

Energy: 0.8475586009119613
Energy: 0.6940107920082692
Energy: 0.6716115632037236
Energy: 0.6724706438304474
Energy: 0.6663995366907323
Energy: 0.6658189090487174
Energy: 0.6486946987334059
Energy: 0.6532886606407518
Energy: 0.6496189075640477
Energy: 0.6540940931087252
Energy: 0.6596269586280463
Energy: 0.6358876040630916
Energy: 0.6581375956840411
Energy: 0.6449116364430421
Energy: 0.6447154112299842
Energy: 0.6577685999738537
Energy: 0.6437646669106414
Energy: 0.666307978073338
Energy: 0.6420597781921618
Energy: 0.6534205125709943
Energy: 0.6388380684897131
Energy: 0.6426375395560063
Energy: 0.6458591728986848
Energy: 0.6386014941401567
Energy: 0.644491818198437
Energy: 0.6445237740283248
Energy: 0.6434236868623296
Energy: 0.6447683860821387
Energy: 0.6451344167251758
Energy: 0.6502769731309304
Energy: 0.6396618532348443
Energy: 0.6422063764166873
Energy: 0.6420696466418362
Energy: 0.6400158379658006
Energy: 0.6451438183860939
Energy: 0.6537460259319596
Energy: 0.636220096809465
Energy: 0.6433301332700326
Energy: 0.6484175984044274
Energy: 0.6337266627633087
Energy: 0.645393507131124
Energy: 0.6451730177025535
Energy: 0.814069577453017
Energy: 0.6479858064540989
Energy: 0.6575637732009144
Energy: 0.6739470339108309
Energy: 0.6723488228708816
Energy: 0.6571633237023115
Energy: 0.6371222751636197
Energy: 0.6433687611542729
Energy: 0.647171494747927
Energy: 0.6364393652750919
Energy: 0.6411246775015247
Energy: 0.6562421980638491
Energy: 0.6874137776961212
Energy: 0.6394012607315173
Energy: 0.6394019832411817
Energy: 0.6727479637078657
Energy: 0.6465330652202202
Energy: 0.6580313033828897
Energy: 0.6890639255950552
Energy: 0.6390001039017976
Energy: 0.653984950178514
Energy: 0.6605593580216222
Energy: 0.6391823277865182
Energy: 0.6568102823032488
Energy: 0.6813214858781611
Energy: 0.6469419008494202
Energy: 0.6494366283399915
Energy: 0.6450684399617758
Energy: 0.6412118753747693
Energy: 0.6520183938271475
Energy: 0.6650884179005766
Energy: 0.6508664492331067
Energy: 0.6501513865966704
Energy: 0.639246808925064
Energy: 0.6468476410745972
Energy: 0.6390131908107547
Energy: 0.6849437295069961
Energy: 0.637565464959008
Energy: 0.6406427984089238
Energy: 0.6518146259645439
Energy: 0.6413995712344265
Energy: 0.642946058155978
Energy: 0.6958399133723133
Energy: 0.6727075821243081
Energy: 0.6728631405772202
Energy: 0.6420584234350072
Energy: 0.6733986587867241
Energy: 0.6753708309424944
Energy: 0.6836097000032775
Energy: 0.6604181732228255
Energy: 0.6583480081482428
Energy: 0.6518558199394514
Energy: 0.6561251680762408
Energy: 0.6563119807802947
Energy: 0.7377972859282705
Energy: 0.6485077847376441
Energy: 0.6480502048203164
Energy: 0.6553117869404055
Energy: 0.6493739306020078
Energy: 0.6644595775667657
Energy: 0.6456471572713236
Energy: 0.6494344137662845
Energy: 0.6437167129807534
Energy: 0.6442261456548848
Energy: 0.6381518954116545
Energy: 0.6663548392407108
Energy: 0.735360183857116
Energy: 0.6739631273459229
Energy: 0.6394708694014662
Energy: 0.6648096187556116
Energy: 0.6613762169388504
Energy: 0.6395284275681921
Energy: 0.7182631034570721
Energy: 0.6436020866932124
Energy: 0.6435050433656526
Energy: 0.6385342992988882
Energy: 0.6431478520608301
Energy: 0.6407285385000435
Energy: 0.6594832737372452
Energy: 0.6458973361706745
Energy: 0.6463584228679555
Energy: 0.6433064710956355
Energy: 0.646679826556491
Energy: 0.6472008189920031
Energy: 0.6506988781564363
Energy: 0.6480436150972795
Energy: 0.6464934499401586
Energy: 0.6440946560660238
Energy: 0.6489037358867402
Energy: 0.642233764844086
Energy: 0.6474822556149069
Energy: 0.6427741920699197
Energy: 0.6431150396007214
Energy: 0.6475744743730008
Energy: 0.6294104115850434
Energy: 0.6418234639568535
Energy: 0.6721847035995829
Energy: 0.6689723348655439
Energy: 0.6685726928227754
Energy: 0.6473019776630872
Energy: 0.6637771023784323
Energy: 0.6428874920637537
Energy: 0.6430300118584397
Energy: 0.6374859685126276
Energy: 0.6369036206380919
Energy: 0.647335311141043
Energy: 0.6496298117466314
Energy: 0.6402940778609035
Energy: 0.7596613337428212
Energy: 0.6562776797004914
Energy: 0.6428554571740616
Energy: 0.6460484934863413
Energy: 0.6581364716568818
Energy: 0.6405670603011334
Energy: 0.6270111363253649
Energy: 0.6465883792845837
Energy: 0.6408381774055237
Energy: 0.6468439614896612
Energy: 0.6702607790374471
Energy: 0.6408713834032048
Energy: 0.6450216981561762
Energy: 0.6387030966127529
Energy: 0.6407752127610499
Energy: 0.646564388963313
Energy: 0.6379511644409541
Energy: 0.6410962813031278
Energy: 0.6577996194369267
Energy: 0.6459509276705819
Energy: 0.6454505478208667
Energy: 0.6573596723999526
Energy: 0.6486540610361852
Energy: 0.642468326187516
Energy: 0.6389877985784005
Energy: 0.6491327949263869
Energy: 0.642186303911345
Energy: 0.6401365048141198
Energy: 0.6482611101368291
Energy: 0.6418239703190619
Energy: 0.6923574927893154
Energy: 0.6681460675569184
Energy: 0.6680516195090168
Energy: 0.6465727549384032
Energy: 0.6531375574358538
Energy: 0.646661639779015
Energy: 0.6485711286357437
Energy: 0.6464121159203127
Energy: 0.6538478928446825
Energy: 0.6485560664039334
Energy: 0.6465782576644911
Energy: 0.6513117276158821
Energy: 0.7462599815473324
Energy: 0.6555254736688318
Energy: 0.665781722197283
Energy: 0.6417037368533502
Energy: 0.6524038454262453
Energy: 0.6472089355236952
Energy: 0.656714806359135
Energy: 0.6477824491755544
Energy: 0.6500631901774571
Energy: 0.6549399796875077
Energy: 0.6339002385969457
Energy: 0.6499937489481666
Energy: 0.6526086228805199
Energy: 0.6611486458940218
Energy: 0.6613698978743507
Energy: 0.6368080659568647
Energy: 0.6583268190721353
Energy: 0.6535540132932104
Energy: 0.6790085841349848
Energy: 0.6393057508392035
Energy: 0.6393612405609779
Energy: 0.673398452439801
Energy: 0.6463449309614734
Energy: 0.6574362993336352
Energy: 0.6915565937175232
Energy: 0.6439511825530624
Energy: 0.6475671070880342
Energy: 0.65876968611186
Energy: 0.638326484447147
Energy: 0.6500774083271282
Energy: 0.6667006190506339
Energy: 0.6824896290361666
Energy: 0.6414148952692689
Energy: 0.6369514350024419
Energy: 0.6433772157734373
Energy: 0.6760974416554226
Energy: 0.687478765876019
Energy: 0.6384020223424229
Energy: 0.6459852290906076
Energy: 0.6506009701970511
Energy: 0.6355644956289016
Energy: 0.6500957387941293
Energy: 0.6951089480531748
Energy: 0.6365621358663629
Energy: 0.6367143861670025
Energy: 0.6419454419625809
Energy: 0.6364304459136466
Energy: 0.637367290236441
Energy: 0.6480992273119622
Energy: 0.665953681248152
Energy: 0.6347269284886607
Energy: 0.655453925662528
Energy: 0.6688891834349872
Energy: 0.6351031748417754
Energy: 0.7383554239298125
Energy: 0.6430684897675294
Energy: 0.6435093004225383
Energy: 0.6623724058990484
Energy: 0.6568308857577447
Energy: 0.6424873807283864
Energy: 0.7808035531354052
Energy: 0.6474355921420196
Energy: 0.6469597254078012
Energy: 0.6903850938008668
Energy: 0.6478943673605976
Energy: 0.6692345926421114
Energy: 0.6383538878836638
Energy: 0.6623506470873316
Energy: 0.657151674556012
Energy: 0.6330530842182818
Energy: 0.6620925669303298
Energy: 0.6563609890880413
Energy: 0.7860347432717057
Energy: 0.6713794412538417
Energy: 0.6738521658932695
Energy: 0.6738057427734274
Energy: 0.6747300368408409
Energy: 0.6736391986478797
Energy: 0.6425291273945848
Energy: 0.6374625047590647
Energy: 0.6373005661661153
Energy: 0.6397489382667265
Energy: 0.6411942107413678
Energy: 0.6383521272551358
Energy: 0.6427532054929775
Energy: 0.6425504130383775
Energy: 0.65360085068529
Energy: 0.6444442870670346
Energy: 0.6426351683208392
Energy: 0.6509130661982516
Energy: 0.6501413734770086
Energy: 0.6450801029877445
Energy: 0.6440194846187091
Energy: 0.6479311895040859
Energy: 0.643463064133733
Energy: 0.6464397017511001
Energy: 0.6531164890225043
Energy: 0.6403580991716832
Energy: 0.6396038975309519
Energy: 0.6531992704899444
Energy: 0.6352953940197367
Energy: 0.639140420021722
Energy: 0.6613512592967317
Energy: 0.6363228118370018
Energy: 0.6366425597707769
Energy: 0.6607168672560984
Energy: 0.6357980476239955
Energy: 0.637943192073624
Energy: 0.6488338457679046
Energy: 0.6554589066214371
Energy: 0.6568254409252614
Energy: 0.6452635147984743
Energy: 0.6557896258845547
Energy: 0.6408090357412548

minimum gb energy = 0.6270111363253649 eV
minimum distance =  2.3760548144303 Angstroms
sigma value = 81


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

Energy: 1.2972853024638766
Energy: 0.6685060319179792
Energy: 0.6575399588037889
Energy: 0.6171100330365089
Energy: 0.6270297303282459
Energy: 0.6792246670851197
Energy: 0.695960937630198
Energy: 0.6295475579523387
Energy: 0.6463419925951004
Energy: 0.6481392291531495
Energy: 0.6267645174474233
Energy: 0.6217295594971082
Energy: 0.7254492403281048
Energy: 0.6541567574528357
Energy: 0.6653301128598277
Energy: 0.6544562925754142
Energy: 0.6660450713532421
Energy: 0.6477336823730699
Energy: 0.7178251026780412
Energy: 0.6631585835758519
Energy: 0.6631961779820266
Energy: 0.6525355044234576
Energy: 0.6682566896785491
Energy: 0.6640679907168723
Energy: 0.72726389120759
Energy: 0.6495912663369863
Energy: 0.639630147528648
Energy: 0.6469855964237995
Energy: 0.6499099720046883
Energy: 0.6449119157569381
Energy: 0.7835728695240638
Energy: 0.653326636808679
Energy: 0.6534803837224387
Energy: 0.644209996954504
Energy: 0.650816950623146
Energy: 0.6448639992452416
Energy: 0.7053430819003281
Energy: 0.6638638697135001
Energy: 0.6658320855028428
Energy: 0.7139207973835547
Energy: 0.6204862845265139
Energy: 0.6654249440371969
Energy: 0.825571642017956
Energy: 0.6917368036273605
Energy: 0.6921086035213577
Energy: 0.6924471656724916
Energy: 0.6921098439996428
Energy: 0.6926957595946696
Energy: 0.7190549826514411
Energy: 0.660058923217092
Energy: 0.6639538056555185
Energy: 0.7184307813374922
Energy: 0.6595025505364859
Energy: 0.6643036349896345
Energy: 0.7683714029251698
Energy: 0.6950276492306278
Energy: 0.692482559874978
Energy: 0.7182058669415067
Energy: 0.7007794895886154
Energy: 0.6883558342835879
Energy: 0.7136230601701324
Energy: 0.67068696081965
Energy: 0.6703545165677528
Energy: 0.6933086770841406
Energy: 0.6570588044025281
Energy: 0.6681325181328795
Energy: 0.682080122634389
Energy: 0.6623465917315912
Energy: 0.6617326990348182
Energy: 0.665968596223046
Energy: 0.663564848916469
Energy: 0.6638404220797325
Energy: 0.703214142228182
Energy: 0.6646554483019247
Energy: 0.6645986181156056
Energy: 0.6658197579287438
Energy: 0.6609085805411324
Energy: 0.6682800530962001
Energy: 0.7353710317893709
Energy: 0.6796878130826088
Energy: 0.6805626139955787
Energy: 0.6979009274044548
Energy: 0.6788923358231361
Energy: 0.7116637746405376
Energy: 0.8487556118246495
Energy: 0.7678200739446484
Energy: 0.7609396550365723
Energy: 0.7205230199353115
Energy: 0.75497943548974
Energy: 0.7200006445787313
Energy: 0.7276214200123959
Energy: 0.7154187540266342
Energy: 0.7168405040400877
Energy: 0.7179928647447293
Energy: 0.7098963711703007
Energy: 0.7197725660122
Energy: 0.7985199834500676
Energy: 0.6574074251027054
Energy: 0.6875511136311064
Energy: 0.760071584336956
Energy: 0.6565029119691224
Energy: 0.6887951700825287
Energy: 0.7389606707260068
Energy: 0.6717024921390937
Energy: 0.6688484619055151
Energy: 0.7369548739226734
Energy: 0.6698305660474958
Energy: 0.7411517225553397
Energy: 0.72264087009514
Energy: 0.7089519869240122
Energy: 0.6244597466610357
Energy: 0.6339234911660814
Energy: 0.6818839930225925
Energy: 0.6306652688475154
Energy: 0.622446058358804
Energy: 0.7099555942595241
Energy: 0.6229964180240455
Energy: 0.6338675725379072
Energy: 0.7097695575264908
Energy: 0.6230282150697749
Energy: 0.7386959091507506
Energy: 0.672218021495549
Energy: 0.6711258216971961
Energy: 0.7366553401758651
Energy: 0.6691557345071854
Energy: 0.7409945507110307
Energy: 0.7217839698695871
Energy: 0.6574118142687453
Energy: 0.6571329592158707
Energy: 0.7232174078546341
Energy: 0.6566194873253605
Energy: 0.6536209380560155
Energy: 0.7231249092280227
Energy: 0.7157405562534888
Energy: 0.7193559274346606
Energy: 0.7146769681289971
Energy: 0.6827703553897007
Energy: 0.7165527009181676
Energy: 0.7339479209931212
Energy: 0.721221432996708
Energy: 0.7197854705720913
Energy: 0.718581894477154
Energy: 0.7182789148526529
Energy: 0.7201850524163621
Energy: 0.7357670024064236
Energy: 0.6916450910940334
Energy: 0.6959686335577334
Energy: 0.7306521885551521
Energy: 0.6874160978008895
Energy: 0.7105550114250825
Energy: 0.7846723368693528
Energy: 0.6905743049608932
Energy: 0.6917674895168551
Energy: 0.6534554770462069
Energy: 0.6911227649510567
Energy: 0.6679527695452566
Energy: 0.712764838097965
Energy: 0.6649446255824152
Energy: 0.6670302511499135
Energy: 0.6536623057074035
Energy: 0.6637443203403195
Energy: 0.6678864131279655
Energy: 0.716313146120934
Energy: 0.6688240203022011
Energy: 0.6708265632224657
Energy: 0.6849512278350578
Energy: 0.663312216654859
Energy: 0.6757902253833064
Energy: 0.7524632615681037
Energy: 0.6114439501591638
Energy: 0.6929184783780817
Energy: 0.7525078396169679
Energy: 0.7017033092600423
Energy: 0.6904826011992166
Energy: 0.7184511656702295
Energy: 0.659398155187464
Energy: 0.661971584229919
Energy: 0.6958884869368099
Energy: 0.6588805082371252
Energy: 0.6656516890319915
Energy: 0.7038146439050466
Energy: 0.673185285421721
Energy: 0.6657839143824451
Energy: 0.6677592543742509
Energy: 0.6744095682616016
Energy: 0.6670219892936333
Energy: 0.7072373551018553
Energy: 0.6618171284533512
Energy: 0.6617037504408425
Energy: 0.6682215066013819
Energy: 0.6247125875074537
Energy: 0.6637401313961467
Energy: 0.7979763974418981
Energy: 0.6462940650171313
Energy: 0.6485968643814047
Energy: 0.6575694415512447
Energy: 0.6450405336022179
Energy: 0.6469277547769655
Energy: 0.7277010025674461
Energy: 0.642552906811728
Energy: 0.6448139646245873
Energy: 0.6862716152245157
Energy: 0.6409706446644398
Energy: 0.6555378979062344
Energy: 0.7208201595802949
Energy: 0.6235627372336905
Energy: 0.6224350563429487
Energy: 0.6591409714509524
Energy: 0.6527411897408321
Energy: 0.6669128957896682
Energy: 0.79470940053281
Energy: 0.655323414767285
Energy: 0.658454254800612
Energy: 0.6873934530432965
Energy: 0.6542215302104044
Energy: 0.7786046103599046
Energy: 0.7196588454770608
Energy: 0.624698315353977
Energy: 0.6227645709465108
Energy: 0.6493283905926803
Energy: 0.6249833712427669
Energy: 0.6669429823943482
Energy: 0.7780391564682958
Energy: 0.6638453050853025
Energy: 0.6478996419009285
Energy: 0.6234065843171119
Energy: 0.6596796159872758
Energy: 0.708011023477944

minimum gb energy = 0.6114439501591638 eV
minimum distance =  2.32765071471828 Angstroms
sigma value = 43


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

Energy: 0.880107511828175
Energy: 0.6555960479921665
Energy: 0.6270589896732476
Energy: 0.6339939615485692
Energy: 0.6566781330003572
Energy: 0.6339689112131567
Energy: 0.623348461794878
Energy: 0.6373382173814911
Energy: 0.6229625800127189
Energy: 0.6480265568670169
Energy: 0.6196426846465649
Energy: 0.6260771410391478
Energy: 0.6235786887975312
Energy: 0.6127445277904817
Energy: 0.6127972167085618
Energy: 0.6235399245239375
Energy: 0.612790439618081
Energy: 0.6234538711441775
Energy: 0.622766826499104
Energy: 0.6294297392135023
Energy: 0.6239047531296429
Energy: 0.6226094497755937
Energy: 0.6128123482797303
Energy: 0.6230493593256838
Energy: 0.6260688454468869
Energy: 0.6291419363266813
Energy: 0.6275174823488591
Energy: 0.6245965777009892
Energy: 0.6240823789454194
Energy: 0.6250983428243382
Energy: 0.6247187146753804
Energy: 0.6250195790359057
Energy: 0.6260759638784871
Energy: 0.6238482018178032
Energy: 0.6271907264002275
Energy: 0.6266232005153591
Energy: 0.6258887530097682
Energy: 0.6228508835092867
Energy: 0.622538594318122
Energy: 0.6247714976040912
Energy: 0.6237854770493687
Energy: 0.6240320980111895
Energy: 0.6938668522715817
Energy: 0.6235254337487908
Energy: 0.623541317198246
Energy: 0.6167277187062404
Energy: 0.623696803683005
Energy: 0.6935045901677549
Energy: 0.6206717577234312
Energy: 0.6247700573951178
Energy: 0.624126325349282
Energy: 0.6210669022721922
Energy: 0.625018163173587
Energy: 0.6236549370623087
Energy: 0.6186168705879221
Energy: 0.6238692587466342
Energy: 0.6239194351203192
Energy: 0.6257525082435503
Energy: 0.6235737662130095
Energy: 0.6240505905393522
Energy: 0.6189473785674332
Energy: 0.630693141433483
Energy: 0.6174900523787682
Energy: 0.6186224675425291
Energy: 0.6272450589847529
Energy: 0.6217347126046042
Energy: 0.6277922432887296
Energy: 0.6239813582926095
Energy: 0.6239377898184106
Energy: 0.6193688320210677
Energy: 0.6577174432489319
Energy: 0.6323523749187144
Energy: 0.7168507805871057
Energy: 0.6236320520670023
Energy: 0.6309069649546837
Energy: 0.6136474630463972
Energy: 0.6236703396612605
Energy: 0.6309390905878813
Energy: 0.6195591912677726
Energy: 0.6328855987464073
Energy: 0.6351432301440061
Energy: 0.6187137879320179
Energy: 0.6255880413702883
Energy: 0.6231905072958811
Energy: 0.6187839326223182
Energy: 0.617485400962784
Energy: 0.617601437554382
Energy: 0.6233482654950137
Energy: 0.6107778627221331
Energy: 0.6225857428952642
Energy: 0.6181768445620225
Energy: 0.6328064062226948
Energy: 0.6275193867919664
Energy: 0.6179954698984605
Energy: 0.6350556842999739
Energy: 0.6226737657206102
Energy: 0.6191673418366774
Energy: 0.6185657969961376
Energy: 0.630899341258094
Energy: 0.619223384883145
Energy: 0.6216213190586152
Energy: 0.6191409789507177
Energy: 0.6186946885286781
Energy: 0.6238087446588382
Energy: 0.617996590054468
Energy: 0.6365069930614548
Energy: 0.644668598979169
Energy: 0.6185479254293121
Energy: 0.6191835928941805
Energy: 0.6184718081007526
Energy: 0.6184035641388318
Energy: 0.6250324228709143
Energy: 0.619546184679444
Energy: 0.6238496766950211
Energy: 0.6937536112376083
Energy: 0.6184122728921227
Energy: 0.6188748916674166
Energy: 0.6243456061553694
Energy: 0.6361457958494164
Energy: 0.6323359430620998
Energy: 0.618043702412771
Energy: 0.6248362948135713
Energy: 0.6196998869236696
Energy: 0.6353196688870796
Energy: 0.6252892868920511
Energy: 0.6186286272368998
Energy: 0.6976345714036267
Energy: 0.6665168867771617
Energy: 0.6620664308210115
Energy: 0.6348467766925178
Energy: 0.6125810840314577
Energy: 0.6622508445929727
Energy: 0.6328633199261358
Energy: 0.6249020728758322
Energy: 0.6248895845258042
Energy: 0.6276449620352389
Energy: 0.6400038240409875
Energy: 0.6432977606991062
Energy: 0.6739373619347385
Energy: 0.6548131214042152
Energy: 0.6182623835273198
Energy: 0.6201242417360484
Energy: 0.7083363081762043
Energy: 0.6189793673730715
Energy: 0.637620746757463
Energy: 0.6178964374388157
Energy: 0.6182853108119154
Energy: 0.6311639596515478
Energy: 0.6179706070348165
Energy: 0.62365275722733
Energy: 0.6608289787317746
Energy: 0.624325010767934
Energy: 0.6234040362494158
Energy: 0.618800883367899
Energy: 0.6195566658596466
Energy: 0.6183779188012622
Energy: 0.6601448798768838
Energy: 0.625155225464761
Energy: 0.62320118371892
Energy: 0.6335611212012455
Energy: 0.6275539222037816
Energy: 0.6227472399555202
Energy: 0.6506062826941807
Energy: 0.6316836229585653
Energy: 0.6330701484473823
Energy: 0.6238126817644335
Energy: 0.6241843197465634
Energy: 0.623845303715598
Energy: 0.6270366724808388
Energy: 0.6231942415066037
Energy: 0.6228355500405097
Energy: 0.6270937934904979
Energy: 0.6159229424973612
Energy: 0.6690760125395706
Energy: 0.6220384427458046
Energy: 0.6245514159965169
Energy: 0.6345120396629292
Energy: 0.6482856537067194
Energy: 0.6191895767371186
Energy: 0.6255664549180618
Energy: 0.8236460374188589
Energy: 0.6462741476941865
Energy: 0.6139484853452496
Energy: 0.6322187506453304
Energy: 0.6172177954343295
Energy: 0.6139859092733311

minimum gb energy = 0.6107778627221331 eV
minimum distance =  2.38414516755989 Angstroms
sigma value = 57


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

Energy: 0.7612730742517873
Energy: 0.6505001198687669
Energy: 0.6337088841959408
Energy: 0.5874741093914182
Energy: 0.7279528481821813
Energy: 0.6335894879409043
Energy: 0.6197258947592493
Energy: 0.6119361345141392
Energy: 0.6146209348335963
Energy: 0.6325135545412401
Energy: 0.6288479926542737
Energy: 0.6177343031385141
Energy: 0.6218874853010264
Energy: 0.5941819126356634
Energy: 0.5938744646795746
Energy: 0.6262755629537561
Energy: 0.5946870101928571
Energy: 0.5944109153908099
Energy: 0.6224166700444854
Energy: 0.5937139034813346
Energy: 0.5941320123106942
Energy: 0.6210364982646882
Energy: 0.5940509778494936
Energy: 0.6135615388984343
Energy: 0.623274097083094
Energy: 0.6115390142999143
Energy: 0.6094966769250904
Energy: 0.6115634791988929
Energy: 0.6114827892741407
Energy: 0.6122891276041511
Energy: 0.5848958946132456
Energy: 0.6132045071954738
Energy: 0.6116304478634372
Energy: 0.6131654877922053
Energy: 0.6106640801672997
Energy: 0.6112239814168794
Energy: 0.6333996409982138
Energy: 0.6139242467302549
Energy: 0.6123594159815144
Energy: 0.6175994748658293
Energy: 0.6218131680149865
Energy: 0.6102179282786503
Energy: 0.621942573208205
Energy: 0.6154765993386898
Energy: 0.6166603900405647
Energy: 0.6086581195883575
Energy: 0.6153078626851821
Energy: 0.6159643308694264
Energy: 0.6298193547035439
Energy: 0.6136455779001341
Energy: 0.6180026275192888
Energy: 0.6175404081122002
Energy: 0.6140673048301905
Energy: 0.6138081482429818
Energy: 0.6259580286018076
Energy: 0.6106552509679123
Energy: 0.6124463319105734
Energy: 0.6328178717996011
Energy: 0.6070686640473218
Energy: 0.6152533203481895
Energy: 0.660876018793658
Energy: 0.6079368795165463
Energy: 0.6234975385231646
Energy: 0.6275438066298985
Energy: 0.616361237922785
Energy: 0.612520419755213
Energy: 0.5833854085277791
Energy: 0.6149180544995106
Energy: 0.613109571413232
Energy: 0.5853867174246034
Energy: 0.6192107224417894
Energy: 0.5945582821489171
Energy: 0.584873480905391
Energy: 0.620714849954363
Energy: 0.6441588879904755
Energy: 0.5940854241604754
Energy: 0.6208545339479622
Energy: 0.641340355547362
Energy: 0.6198821791686528
Energy: 0.6146474215513557
Energy: 0.6144370300694562
Energy: 0.6275409161188907
Energy: 0.6175522192153319
Energy: 0.6148225121650323
Energy: 0.6198668536350577
Energy: 0.5855672398456078
Energy: 0.5887031876408235
Energy: 0.6198170709279565
Energy: 0.5849832935052971
Energy: 0.5867682040091794
Energy: 0.6246049192670987
Energy: 0.6078444056927735
Energy: 0.6070658231545695
Energy: 0.6214457875747278
Energy: 0.6136313703602199
Energy: 0.6094664026591768
Energy: 0.6239285092567685
Energy: 0.6108535856308982
Energy: 0.611164809742577
Energy: 0.6119011795152233
Energy: 0.6107549637658581
Energy: 0.6093227562581087
Energy: 0.6232734764806562
Energy: 0.6163833562314588
Energy: 0.6099738603650371
Energy: 0.611656050609254
Energy: 0.6109503018037193
Energy: 0.6082223675071161
Energy: 0.633751584727778
Energy: 0.6210666965600041
Energy: 0.6165534012348458
Energy: 0.6128262215244917
Energy: 0.6212141575859239
Energy: 0.6138503306987976
Energy: 0.6337659583118257
Energy: 0.6204010641259805
Energy: 0.616197511407183
Energy: 0.6130242416459724
Energy: 0.6221227620506848
Energy: 0.6148642243344964
Energy: 0.62731367905965
Energy: 0.6171605302620667
Energy: 0.6150242312315451
Energy: 0.6273794991725018
Energy: 0.6129381819145772
Energy: 0.6122928234871281
Energy: 0.680473406201895
Energy: 0.6130013866342614
Energy: 0.6154408761633338
Energy: 0.6490967511452037
Energy: 0.611127537499838
Energy: 0.6138632905630144
Energy: 0.6196969148985892
Energy: 0.6171982601322984
Energy: 0.615986858725701
Energy: 0.6273821596270139
Energy: 0.63091950183753
Energy: 0.614102633352783
Energy: 0.5834566432153201
Energy: 0.6208973639907251
Energy: 0.6440996369735219
Energy: 0.5941141310045578
Energy: 0.6180170821193374
Energy: 0.5965101410320293

minimum gb energy = 0.5833854085277791 eV
minimum distance =  2.42083718313563 Angstroms
sigma value = 17


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

Energy: 0.9275406557736722
Energy: 0.9543641345121723
Energy: 0.7256379085050408
Energy: 0.5806172510356907
Energy: 0.6318922876583802
Energy: 0.584715689948879
Energy: 0.707013287184538
Energy: 0.645022782804821
Energy: 0.6146118904591856
Energy: 0.6544901500032627
Energy: 0.6554589557135609
Energy: 0.608655454737292
Energy: 0.6292882873243746
Energy: 0.5895685593921689
Energy: 0.5903189276267159
Energy: 0.6390065793256426
Energy: 0.5895350914186266
Energy: 0.5830411459777778
Energy: 0.6438003083790037
Energy: 0.5861798422714495
Energy: 0.5830888090964769
Energy: 0.6442614256034195
Energy: 0.5802820313701741
Energy: 0.6093272757529642
Energy: 0.5748703708902551
Energy: 0.5788622414643682
Energy: 0.5770773086066422
Energy: 0.5751453673524521
Energy: 0.5784480478472361
Energy: 0.5770536260598712
Energy: 0.590865316384963
Energy: 0.5770533448799978
Energy: 0.5768007849826915
Energy: 0.5835467886687152
Energy: 0.5680105173042672
Energy: 0.5574964409896606
Energy: 0.566353632232572
Energy: 0.566710518998069
Energy: 0.5659404844490132
Energy: 0.5764799628092326
Energy: 0.5700899204156596
Energy: 0.5654734329591065
Energy: 0.5812030301925223
Energy: 0.559651493145783
Energy: 0.559555722721304
Energy: 0.5586839462455859
Energy: 0.5612651029865041
Energy: 0.5976259987507349
Energy: 0.5689217961509967
Energy: 0.5597847268222141
Energy: 0.5593969829249918
Energy: 0.5700752183542713
Energy: 0.5588302259160932
Energy: 0.5656288609425454
Energy: 0.5675125491305993
Energy: 0.5765929830135371
Energy: 0.5768918961421111
Energy: 0.5668529686009641
Energy: 0.5770198389485477
Energy: 0.5782088543265295
Energy: 0.5797833864876759
Energy: 0.5766182409534705
Energy: 0.5771148573330304
Energy: 0.5781929659846027
Energy: 0.6130014474069219
Energy: 0.5771135910133586
Energy: 0.5722347433505094
Energy: 0.6419323667990973
Energy: 0.6412923281875442
Energy: 0.5628857747834851
Energy: 0.6416203190543461
Energy: 0.6092450618500812
Energy: 0.6419935243466205
Energy: 0.6381244674689999
Energy: 0.6426655589103952
Energy: 0.5765208970579468
Energy: 0.6374636524515843
Energy: 0.6437239951456095
Energy: 0.5712074057066202
Energy: 0.6453763999879283
Energy: 0.6083888473317651
Energy: 0.5681579103241828
Energy: 0.6557168916136582
Energy: 0.6073567689310696
Energy: 0.6314066072738361
Energy: 0.6409643052936006
Energy: 0.609427809042008
Energy: 0.6328962359211586
Energy: 0.6359896364103909
Energy: 0.6096572552305117
Energy: 0.5917878358476961
Energy: 0.6564138030718084
Energy: 0.6101030532744652
Energy: 0.6562379372655425
Energy: 0.6523854577886953
Energy: 0.6451262532505496
Energy: 0.6329503605587503
Energy: 0.6328140653179728
Energy: 0.67693080804544
Energy: 0.5807211632767597
Energy: 0.6335555784570726
Energy: 0.5895785395003671

minimum gb energy = 0.5574964409896606 eV
minimum distance =  2.42331207246251 Angstroms
sigma value = 17


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

Energy: 0.9819165694259634
Energy: 0.6137576132100546
Energy: 0.5988560391135619
Energy: 0.5976480602910647
Energy: 0.9015643590951649
Energy: 0.5998685044736064
Energy: 0.5883184996951314
Energy: 0.5594408639944816
Energy: 0.5553096862100727
Energy: 0.6188067951039627
Energy: 0.5667903772095275
Energy: 0.5934145348514771
Energy: 0.7339730666559072
Energy: 0.5305390463247633
Energy: 0.5760260896672459
Energy: 0.6405173055917026
Energy: 0.5470423178752614
Energy: 0.5790806848763106
Energy: 0.5659722992070004
Energy: 0.5780519569586033
Energy: 0.5781424126728811
Energy: 0.5743920270633457
Energy: 0.537821981134679
Energy: 0.5773495963450364
Energy: 0.5601117460584172
Energy: 0.5582593211627414
Energy: 0.5560082271075307
Energy: 0.5605171712582222
Energy: 0.5567874129940124
Energy: 0.5505467577405573
Energy: 0.5749042480993481
Energy: 0.5574462528645904
Energy: 0.530326191644312
Energy: 0.5294715133813326
Energy: 0.5517625473973576
Energy: 0.5293733636886678
Energy: 0.516149438813221
Energy: 0.551086756112951
Energy: 0.5510201239620505
Energy: 0.5218378870002257
Energy: 0.5548049269042875
Energy: 0.5223062459991811
Energy: 0.517545444562492
Energy: 0.5124313645215557
Energy: 0.5224517955502399
Energy: 0.5223648394601842
Energy: 0.5124941568545076
Energy: 0.5219060800630919
Energy: 0.5164011480378248
Energy: 0.5243179062296008
Energy: 0.5236640014381354
Energy: 0.5174051523576919
Energy: 0.5193640660961291
Energy: 0.5167597273165455
Energy: 0.5160963043393356
Energy: 0.5112012982081768
Energy: 0.5117327625037426
Energy: 0.5158926720242107
Energy: 0.5130843138431882
Energy: 0.5119840500300314
Energy: 0.5167550509460298
Energy: 0.5118925988880438
Energy: 0.5118316077732731
Energy: 0.5119264816297756
Energy: 0.5157030017604812
Energy: 0.5112942515067497
Energy: 0.5650836186839397
Energy: 0.5168048227197002
Energy: 0.5166281242145494
Energy: 0.5253859410668356
Energy: 0.5193530730077945
Energy: 0.5246151304510871
Energy: 0.5268627354494312
Energy: 0.5516549800998528
Energy: 0.5224745256745358
Energy: 0.5252966913921151
Energy: 0.5229960285981909
Energy: 0.5228110519997896
Energy: 0.5545373278223485
Energy: 0.530406009708522
Energy: 0.522353688965982
Energy: 0.555597152898106
Energy: 0.5211878152386967
Energy: 0.5509754225343193
Energy: 0.5522108242885881
Energy: 0.5224146821523301
Energy: 0.5247870045169065
Energy: 0.5522441124245332
Energy: 0.5233456586196457
Energy: 0.5561693856179598
Energy: 0.6241415493098473
Energy: 0.5533417096409493
Energy: 0.5592188736109676
Energy: 0.5611959285140063
Energy: 0.5601636738358692
Energy: 0.5592822106610046
Energy: 0.5164338532438674
Energy: 0.6359943481753466
Energy: 0.6224234312972481
Energy: 0.5190299580508018
Energy: 0.6394985351557906
Energy: 0.557351788357876
Energy: 0.5172907573050302
Energy: 0.633709790892487
Energy: 0.6201363522421097
Energy: 0.5566755624036113
Energy: 0.639809355689345
Energy: 0.5576246250732272
Energy: 0.5558515260030346
Energy: 0.619347787857422
Energy: 0.5949235711198012
Energy: 0.5758085599033714
Energy: 0.5649004540150416
Energy: 0.5573426499700042
Energy: 0.7413712870383655
Energy: 0.5573242721802762
Energy: 0.5578774924994757
Energy: 0.6354554798365151
Energy: 0.5512287857577964
Energy: 0.6166580085797856
Energy: 0.6853900973528813
Energy: 0.6171614173854363
Energy: 0.6345307269388539
Energy: 0.6355636370328615
Energy: 0.6226261976277081
Energy: 0.6178046859389138
Energy: 0.5233613442159664
Energy: 0.6224857445775444
Energy: 0.6599052304637267
Energy: 0.5774317650809969
Energy: 0.6214771839645754
Energy: 0.5789803555758685
Energy: 0.5256813884728367
Energy: 0.6375509563971743
Energy: 0.6449074170715275
Energy: 0.5274576761767684
Energy: 0.6375122949469259
Energy: 0.6515068188803207
Energy: 0.7358131544282636
Energy: 0.5662153401168334
Energy: 0.606086827224016
Energy: 0.6365751275599326
Energy: 0.5254080559323054
Energy: 0.6174549110031242
Energy: 0.634202077385495
Energy: 0.5249003414642389
Energy: 0.5766667717019802
Energy: 0.6359333290510444
Energy: 0.5290691588234983
Energy: 0.5770975837683924
Energy: 0.5603672523498012
Energy: 0.5649021073575562
Energy: 0.5601714418215619
Energy: 0.5614154251311175
Energy: 0.5618040689688362
Energy: 0.5615433299861164
Energy: 0.5797862235500947
Energy: 0.5967055264553571
Energy: 0.5751974155791226
Energy: 0.5243017099259677
Energy: 0.5538974487443995
Energy: 0.523159463286519
Energy: 0.5129055016909666
Energy: 0.5558277911224324
Energy: 0.5522010122101845
Energy: 0.5137815749898389
Energy: 0.5525858050866232
Energy: 0.5513283858747353
Energy: 0.5173241902562432
Energy: 0.5204231191530285
Energy: 0.5200379539753721
Energy: 0.524335931376606
Energy: 0.5534554505247339
Energy: 0.5199200657822105
Energy: 0.5242845708425741
Energy: 0.5115842212798495
Energy: 0.5221101078022012
Energy: 0.5164912067890942
Energy: 0.5116820390052436
Energy: 0.5219726640928737
Energy: 0.5199417445940999
Energy: 0.5121718730132256
Energy: 0.5111864521282293
Energy: 0.5209734741685997
Energy: 0.5116578524415523
Energy: 0.5104841669916124
Energy: 0.5277672716944025
Energy: 0.5116097992337327
Energy: 0.5117858542203669
Energy: 0.517396208704326
Energy: 0.5115217833328336
Energy: 0.5117350733641669
Energy: 0.5685854162687154
Energy: 0.5203897736131905
Energy: 0.5163261352044427
Energy: 0.5683884919462202
Energy: 0.5171130896158165
Energy: 0.515774538714723
Energy: 0.5519445122470057
Energy: 0.5214412501387335
Energy: 0.5240946120670653
Energy: 0.5206144673640899
Energy: 0.5221898106929685
Energy: 0.5212016935497258
Energy: 0.5583408362856399
Energy: 0.5255291793373131
Energy: 0.5199437291563614
Energy: 0.5592510500130095
Energy: 0.5248525979925982
Energy: 0.5208916950618266
Energy: 0.5563803288119397
Energy: 0.5224450951404085
Energy: 0.5594112540260698
Energy: 0.5570608927922892
Energy: 0.5214131354814784
Energy: 0.5587653754234798
Energy: 0.6938076643470751
Energy: 0.5563872363237825
Energy: 0.5559903717110428
Energy: 0.5546010086931444
Energy: 0.5698278930001255
Energy: 0.5561834970395899
Energy: 0.5207716217399927
Energy: 0.6387703604002819
Energy: 0.5623857052908136
Energy: 0.5535526897618357
Energy: 0.635717427784751
Energy: 0.5580843463834797
Energy: 0.6158498893155364
Energy: 0.6232308103342835
Energy: 0.5632434241011038
Energy: 0.5736735319753283
Energy: 0.6460838693852596
Energy: 0.5611190708804873
Energy: 0.5521170103419587
Energy: 0.6106479181552539
Energy: 0.6165208098578462
Energy: 0.5510755115335674
Energy: 0.6373552450678892
Energy: 0.6013733456388017
Energy: 0.700484574722551
Energy: 0.5614138243679478
Energy: 0.612259452436262
Energy: 0.640850196140916
Energy: 0.5610805482609953
Energy: 0.6194363264896732
Energy: 0.7343443298313984
Energy: 0.5954214708061192
Energy: 0.5975526776399435
Energy: 0.6377176946927783
Energy: 0.5552246496489891
Energy: 0.6173295528932417
Energy: 0.5267596711402768
Energy: 0.6596163803123937
Energy: 0.6344235571016852
Energy: 0.5264055987129564
Energy: 0.6376446568283171
Energy: 0.655877017261248

minimum gb energy = 0.5104841669916124 eV
minimum distance =  2.3552555124733 Angstroms
sigma value = 57


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

Energy: 0.8811714973307277
Energy: 0.7895935567295912
Energy: 0.5645506187004491
Energy: 0.4991667463082108
Energy: 0.8218475216418356
Energy: 0.5661548288666148
Energy: 0.6469581181480285
Energy: 0.5330593668473141
Energy: 0.5228101246177004
Energy: 0.6021961747576876
Energy: 0.5382709022035842
Energy: 0.5671523431322428
Energy: 0.700461478076414
Energy: 0.5053827672347002
Energy: 0.5087790198352886
Energy: 0.5985140198047131
Energy: 0.5087115893682383
Energy: 0.5440927884914355
Energy: 0.6084641642785809
Energy: 0.5048897321467529
Energy: 0.5540601114503907
Energy: 0.5406138192146371
Energy: 0.5011440319863912
Energy: 0.5643623996365296
Energy: 0.5344187153428784
Energy: 0.5241287697265948
Energy: 0.5209309757630851
Energy: 0.5346198222667148
Energy: 0.5571095919245967
Energy: 0.5208191361231707
Energy: 0.5060369630421001
Energy: 0.528462264361038
Energy: 0.5060566262476266
Energy: 0.48444690866675266
Energy: 0.5508359455943783
Energy: 0.5056962201191033
Energy: 0.49636215184221033
Energy: 0.5437472751673182
Energy: 0.5482506990903813
Energy: 0.4970182716514
Energy: 0.5439542381394781
Energy: 0.4947564593747332
Energy: 0.5002959188686149
Energy: 0.4820481353340303
Energy: 0.4823607849060981
Energy: 0.527441441478786
Energy: 0.481778343745659
Energy: 0.4942882583554791
Energy: 0.49748696752378496
Energy: 0.4995917455653955
Energy: 0.49623781210935497
Energy: 0.49879858177466363
Energy: 0.5007735061764362
Energy: 0.4961766110809519
Energy: 0.5085109061769663
Energy: 0.504602427076902
Energy: 0.47707031713220366
Energy: 0.508706595891383
Energy: 0.5065013861007942
Energy: 0.47695026104514304
Energy: 0.48165498617401176
Energy: 0.47776497316654876
Energy: 0.4779623384990651
Energy: 0.47247160874481187
Energy: 0.4876123064660321
Energy: 0.47635778363750214
Energy: 0.4853236851119452
Energy: 0.4825022683905102
Energy: 0.48700665185206615
Energy: 0.4734269319194533
Energy: 0.48288205208370394
Energy: 0.4706516230286959
Energy: 0.47719918852702486
Energy: 0.49592530537668333
Energy: 0.49298540600323293
Energy: 0.4819041278732338
Energy: 0.47606669224956377
Energy: 0.49166786617095687
Energy: 0.47694980062403664
Energy: 0.4926522534481704
Energy: 0.47868464166282854
Energy: 0.47807629664813184
Energy: 0.4867765028131355
Energy: 0.4866372099991952
Energy: 0.47689369012218
Energy: 0.4758614468917599
Energy: 0.47602626725316877
Energy: 0.4764744306986459
Energy: 0.47791962362585
Energy: 0.4764613106038748
Energy: 0.5058045769262723
Energy: 0.5071326831767268
Energy: 0.4763065311063521
Energy: 0.47703197487097815
Energy: 0.5038322886080361
Energy: 0.4765840796257632
Energy: 0.4784395320144131
Energy: 0.5035938482853797
Energy: 0.49611654478420275
Energy: 0.4771655976518197
Energy: 0.5038106380798189
Energy: 0.49466784510412887
Energy: 0.47922837310913863
Energy: 0.49504615833850707
Energy: 0.49316499018709964
Energy: 0.5056078761706083
Energy: 0.5002792321727164
Energy: 0.4943387300929997
Energy: 0.5390654396906381
Energy: 0.5060497517921029
Energy: 0.5269407585578999
Energy: 0.5401352556712443
Energy: 0.5011714984727489
Energy: 0.5497377679715579
Energy: 0.6030294906167646
Energy: 0.4925642866873559
Energy: 0.49571344837119347
Energy: 0.53795526055364
Energy: 0.4962414496120884
Energy: 0.5268751869521793
Energy: 0.6618742497973433
Energy: 0.5391930956776222
Energy: 0.5418326524865028
Energy: 0.5570912109066243
Energy: 0.5476743752058855
Energy: 0.5414336681497345
Energy: 0.47651535521283245
Energy: 0.6050491940768568
Energy: 0.5376686266595723
Energy: 0.4973500725778797
Energy: 0.6014645692696124
Energy: 0.5337093666466827
Energy: 0.4999872312538325
Energy: 0.5895359499969318
Energy: 0.5904749481446466
Energy: 0.49989256158817
Energy: 0.600417923676666
Energy: 0.5758347933037249
Energy: 0.6598414670661381
Energy: 0.5391722873105469
Energy: 0.5231724839407411
Energy: 0.5424686915225196
Energy: 0.5379105460787004
Energy: 0.5597168504175241
Energy: 0.7050153374566163
Energy: 0.5221147783395055
Energy: 0.532113018953506
Energy: 0.6004237369532937
Energy: 0.5201098472610438
Energy: 0.5822002152892073
Energy: 0.6957877647784424
Energy: 0.5833475795358497
Energy: 0.5743146489842486
Energy: 0.5994692114597029
Energy: 0.6005693201534493
Energy: 0.5778406143413725
Energy: 0.48090303221264746
Energy: 0.5963946837298155
Energy: 0.579385732667924
Energy: 0.49813802525990936
Energy: 0.6010362146152005
Energy: 0.5594886539678738

minimum gb energy = 0.4706516230286959 eV
minimum distance =  2.390922073713 Angstroms
sigma value = 43


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

Energy: 0.8180062205358704
Energy: 0.5596164297758882
Energy: 0.49754551354445536
Energy: 0.4520849609491393
Energy: 0.5322709305191591
Energy: 0.46432557651332673
Energy: 0.5833610895535264
Energy: 0.44300223183653326
Energy: 0.4407984888045362
Energy: 0.5169776894970718
Energy: 0.4668687099067127
Energy: 0.4358808029606968
Energy: 0.6030309310071016
Energy: 0.4284946864771268
Energy: 0.4203419169990195
Energy: 0.478303132074274
Energy: 0.4280620753276788
Energy: 0.4338300231921841
Energy: 0.5322155717353363
Energy: 0.4243764552195948
Energy: 0.4477068217754232
Energy: 0.46844106586793033
Energy: 0.4374183549373648
Energy: 0.4850741895510184
Energy: 0.48012560892604683
Energy: 0.4366860586995142
Energy: 0.43917419307362854
Energy: 0.4715789544852679
Energy: 0.45979980349955557
Energy: 0.4315776754392701
Energy: 0.4306444401699397
Energy: 0.4413492541342242
Energy: 0.42550675043265307
Energy: 0.4160009141975724
Energy: 0.4807975088303687
Energy: 0.4100454670415817
Energy: 0.560497370370457
Energy: 0.45617295923465745
Energy: 0.48077196983618203
Energy: 0.45116465592690524
Energy: 0.4842618496837865
Energy: 0.4124260256570911
Energy: 0.5513985512453914
Energy: 0.39870198320628075
Energy: 0.40555792149528075
Energy: 0.4145002225822752
Energy: 0.39943927419698816
Energy: 0.4055224354897167
Energy: 0.4454320566166621
Energy: 0.4228138821436626
Energy: 0.4310766437738849
Energy: 0.44587126153523476
Energy: 0.40668313879875106
Energy: 0.4437896051983433
Energy: 0.44382530834662226
Energy: 0.41729125988491
Energy: 0.3966764884669097
Energy: 0.4438444701017514
Energy: 0.4134060624456822
Energy: 0.3971774444304947
Energy: 0.39810828013423766
Energy: 0.42230492688896476
Energy: 0.3978263902882384
Energy: 0.4062032649183421
Energy: 0.42116139531530045
Energy: 0.3929847248092692
Energy: 0.4476147894673436
Energy: 0.4204365333920248
Energy: 0.42074301208004355
Energy: 0.41125888671044253
Energy: 0.42044490048810834
Energy: 0.4033448112880186
Energy: 0.44748048454775485
Energy: 0.4055770132116797
Energy: 0.40861085956177995
Energy: 0.409089722820264
Energy: 0.40592336830471293
Energy: 0.410153602326894
Energy: 0.4067961544088337
Energy: 0.41503865640912624
Energy: 0.4111426128212933
Energy: 0.40792469901664347
Energy: 0.40091316027872514
Energy: 0.4070227674555371
Energy: 0.40681481924593565
Energy: 0.3956150500943548
Energy: 0.39894869518271614
Energy: 0.4069028736665609
Energy: 0.4048151522809237
Energy: 0.3990663278569784
Energy: 0.40261230972910816
Energy: 0.40107493409429473
Energy: 0.40464873419718433
Energy: 0.40319625712988727
Energy: 0.40072143365587476
Energy: 0.4048656887148569
Energy: 0.40965543316021985
Energy: 0.40098571895710555
Energy: 0.40172275495008036
Energy: 0.40168363721291567
Energy: 0.4010375440627789
Energy: 0.40468895584311104
Energy: 0.40102571724005603
Energy: 0.40320457679654875
Energy: 0.4042681167315129
Energy: 0.4104429489888424
Energy: 0.4031384746948309
Energy: 0.40468576450020016
Energy: 0.4008352169028791
Energy: 0.41010436333095857
Energy: 0.4044705595013406
Energy: 0.402136088356834
Energy: 0.44274406637908387
Energy: 0.40047008812787216
Energy: 0.4003496826101365
Energy: 0.40536159690891843
Energy: 0.4054218923825387
Energy: 0.4114667579982926
Energy: 0.4056616408922241
Energy: 0.40750702054426124
Energy: 0.4234407109481398
Energy: 0.4071741287860847
Energy: 0.40934989880071143
Energy: 0.4045318505122886
Energy: 0.40692066379480657
Energy: 0.4094207545747646
Energy: 0.40361557392969927
Energy: 0.4075151915662078
Energy: 0.38882539169149216
Energy: 0.39174143700167813
Energy: 0.40736241550538455
Energy: 0.38935550975434247
Energy: 0.4207663888765703
Energy: 0.38920013159068206
Energy: 0.3935515602797051
Energy: 0.42082648772990106
Energy: 0.3989297334857735
Energy: 0.39396793655413354
Energy: 0.42067904169919723
Energy: 0.38874238636201147
Energy: 0.4248709421088735
Energy: 0.4219216791858425
Energy: 0.40213526783229314
Energy: 0.4208667608692421
Energy: 0.5393510474614004
Energy: 0.40059070548090014
Energy: 0.3980970684757908
Energy: 0.3977384270986684
Energy: 0.3938537098573039
Energy: 0.39774107820389804
Energy: 0.541178111641077
Energy: 0.4434261999903065
Energy: 0.44405562866964404
Energy: 0.4102597749859789
Energy: 0.4435856503147325
Energy: 0.39743705985697886
Energy: 0.4000617887706819
Energy: 0.4449583238565517
Energy: 0.41563998286801884
Energy: 0.4102152256871781
Energy: 0.4441299850880232
Energy: 0.4009487787510943
Energy: 0.4568174090002837
Energy: 0.41819869601592335
Energy: 0.4141500219377492
Energy: 0.4578888310086381
Energy: 0.43587146365432805
Energy: 0.41335093016657143
Energy: 0.4814587900271591
Energy: 0.4320910620448342
Energy: 0.46643606291164014
Energy: 0.48242946293593
Energy: 0.4016879232540234
Energy: 0.48100940808525816
Energy: 0.570521697602171
Energy: 0.4071061521958193
Energy: 0.4179007318055171
Energy: 0.44135918455374057
Energy: 0.4071705712610667
Energy: 0.4178127236636611
Energy: 0.5746255302268215
Energy: 0.4377099633460364
Energy: 0.46579252921467396
Energy: 0.47227233237664945
Energy: 0.466943621795867
Energy: 0.42784405652538815
Energy: 0.44274091016073425
Energy: 0.48560225154994185
Energy: 0.4431549361456572
Energy: 0.42570763215266877
Energy: 0.5117793015754356
Energy: 0.41932226902103675
Energy: 0.4937353830424166
Energy: 0.4771515661283457
Energy: 0.4726219219279443
Energy: 0.48175012361649855
Energy: 0.47724971612078376
Energy: 0.47066258316315757
Energy: 0.5722640270629226
Energy: 0.4596371114477554
Energy: 0.46209139984816266
Energy: 0.47071427863126103
Energy: 0.44942165025302644
Energy: 0.5155526229205406
Energy: 0.6049776636052685
Energy: 0.4432099879334002
Energy: 0.4716607917318701
Energy: 0.5025528159382026
Energy: 0.4478403251533487
Energy: 0.4713569485787811
Energy: 0.566281665441592
Energy: 0.48151087329674336
Energy: 0.4698252551932513
Energy: 0.5178759863000038
Energy: 0.5057592279237829
Energy: 0.48208230870197455

minimum gb energy = 0.38874238636201147 eV
minimum distance =  2.41506721665857 Angstroms
sigma value = 81


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

Energy: 0.02833428087429168
Energy: 0.030720392825152862
Energy: 0.02888063864034897
Energy: 0.030612041362316645
Energy: 0.08643119970410802
Energy: 0.029200227366127762
Energy: 0.05800697659114497
Energy: 0.02932563123784643
Energy: 0.029442784823413837
Energy: 0.05826170374421813
Energy: 0.030941080093666175
Energy: 0.029619030449857864
Energy: 0.057179287904139835
Energy: 0.02919389103403144
Energy: 0.02907405430692031
Energy: 0.05717183946022747
Energy: 0.028955166978877147
Energy: 0.057494960877793634
Energy: 0.031881964692149906
Energy: 0.029621310922412884
Energy: 0.02929549284963148
Energy: 0.031084735388696667
Energy: 0.029084317353333226
Energy: 0.057872900501430846
Energy: 0.05736259490129592
Energy: 0.057052628389695596
Energy: 0.05716786714768585
Energy: 0.05803053273015286
Energy: 0.0572495959563486
Energy: 0.05848949868669885
Energy: 0.029371035014413897
Energy: 0.029335986098325127
Energy: 0.02926046718761343
Energy: 0.03083848120603973
Energy: 0.029654477104712383
Energy: 0.02944074969175754
Energy: 0.05758256186322977
Energy: 0.029665734366274007
Energy: 0.029458844133801034
Energy: 0.057132250041468026
Energy: 0.029206435101266897
Energy: 0.029461851063904688
Energy: 0.057303984687008425
Energy: 0.0290518886692962
Energy: 0.02956846516747403
Energy: 0.057190925134882234
Energy: 0.028963112364899825
Energy: 0.05897007112224602
Energy: 0.030274207150396623
Energy: 0.029187934991401335
Energy: 0.05940133928054206
Energy: 0.03183036316471816
Energy: 0.0294164505739044
Energy: 0.05894488651395859
Energy: 0.02953642072450528
Energy: 0.05709311705074295
Energy: 0.057020329455341565
Energy: 0.029411611199895073
Energy: 0.05718252804924015
Energy: 0.05704742265676559

minimum gb energy = 0.02833428087429168 eV
minimum distance =  2.53438874787945 Angstroms
sigma value = 3


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

Energy: 0.47446001516673475
Energy: 0.46262525740948973
Energy: 0.4683954956587891
Energy: 0.4320612697446176
Energy: 0.4631674519111593
Energy: 0.43189697973592756
Energy: 0.4866679751055056
Energy: 0.4766636902360995
Energy: 0.47462881552342373
Energy: 0.4705979476384415
Energy: 0.47260577144048926
Energy: 0.475335289881443
Energy: 0.47561873453273934
Energy: 0.4424664134025059
Energy: 0.4426970862264202
Energy: 0.46779102243580245
Energy: 0.4385939510285459
Energy: 0.4628043465031842
Energy: 0.44957563948417145
Energy: 0.4423795539077111
Energy: 0.44255146808856416
Energy: 0.449568809726238
Energy: 0.4080892411254009
Energy: 0.46581139396440313
Energy: 0.40492330830675066
Energy: 0.47594580003605175
Energy: 0.47472911100265974
Energy: 0.4053473250047431
Energy: 0.4734277848882502
Energy: 0.47442956883756643
Energy: 0.4524761725557589
Energy: 0.4811053449453411
Energy: 0.4523209731001232
Energy: 0.3742024615120412
Energy: 0.4801107462956688
Energy: 0.42549980903027096
Energy: 0.45248941513986934
Energy: 0.41225130556490114
Energy: 0.46029657627041776
Energy: 0.4522145331239329
Energy: 0.41697070996667557
Energy: 0.4592930697204713
Energy: 0.4475106778884024
Energy: 0.4364433169386672
Energy: 0.4349034805174636
Energy: 0.44757330697466946
Energy: 0.35425969263183593
Energy: 0.43540051118874096
Energy: 0.4747728247187491
Energy: 0.43572784221189526
Energy: 0.46177298434611774
Energy: 0.4609787277884691
Energy: 0.37700408534432756
Energy: 0.4639641133030465
Energy: 0.3852711340519296
Energy: 0.41398778794134306
Energy: 0.41482705047560947
Energy: 0.42919202542396856
Energy: 0.4174803905123566
Energy: 0.42781060606312354
Energy: 0.4525271604943554
Energy: 0.4414485267143476
Energy: 0.44236254733044234
Energy: 0.36215963652706523
Energy: 0.45677682423234733
Energy: 0.4166905659646965
Energy: 0.38320903671070633
Energy: 0.4444887523301861
Energy: 0.4446339201896913
Energy: 0.38316648864539105
Energy: 0.4335465019154644
Energy: 0.38302831218085
Energy: 0.38642222316304614
Energy: 0.3853694975282047
Energy: 0.42307244448652503
Energy: 0.38632943532703556
Energy: 0.3498306112233545
Energy: 0.40557688558947025
Energy: 0.4438350968946467
Energy: 0.4167134825522121
Energy: 0.42341009173974253
Energy: 0.38753352216944503
Energy: 0.36504549868425257
Energy: 0.423221355081656
Energy: 0.44400335562865356
Energy: 0.3634288173777927
Energy: 0.36324048030778316
Energy: 0.4441201441145974
Energy: 0.3675535115201756
Energy: 0.36454911886382696
Energy: 0.442806175769576
Energy: 0.4127806994759329
Energy: 0.41158966408768083
Energy: 0.3554843511263153
Energy: 0.4375871110440389
Energy: 0.4116658316987496
Energy: 0.3575847288592461
Energy: 0.4118070121095048
Energy: 0.410131391286405
Energy: 0.35321182198967654
Energy: 0.36621733931414974
Energy: 0.3522166482974463
Energy: 0.3540475591836041
Energy: 0.38763070395732907
Energy: 0.40667564492095815
Energy: 0.3541479989697493
Energy: 0.3556346496866629
Energy: 0.40732819312458196
Energy: 0.44772248033904566
Energy: 0.39260201975284004
Energy: 0.40635249105229815
Energy: 0.3560330943788534
Energy: 0.35453451523199186
Energy: 0.40626165945196613
Energy: 0.43871990427689017
Energy: 0.3527725814007389
Energy: 0.35249634603375984
Energy: 0.438418885152579
Energy: 0.35768090879402276
Energy: 0.35363186997665674
Energy: 0.4377881008444315
Energy: 0.4122875675326384
Energy: 0.4114518497410393
Energy: 0.3654487105825223
Energy: 0.41091481263100255
Energy: 0.41042274224331604
Energy: 0.3682889911752455
Energy: 0.41248898466676165
Energy: 0.4105089953614903
Energy: 0.36664573298977804
Energy: 0.4099950453114887
Energy: 0.3636561342708606
Energy: 0.36394294126820415
Energy: 0.3873540323741706
Energy: 0.4240397834029165
Energy: 0.36389858980441747
Energy: 0.3895609083054725
Energy: 0.38664571039551493
Energy: 0.4453384706729748
Energy: 0.3853882480662979
Energy: 0.4228012943860806
Energy: 0.3556866778103663
Energy: 0.3850091667105483
Energy: 0.4119801196768398
Energy: 0.45929984060627504
Energy: 0.38311422303359366
Energy: 0.38328602766950254
Energy: 0.457001639805895
Energy: 0.3899746775813022
Energy: 0.3844293213735246
Energy: 0.46001078612355306
Energy: 0.42762860535211406
Energy: 0.4279623892752709
Energy: 0.4573760445944145
Energy: 0.40795317031263423
Energy: 0.44271462000492035
Energy: 0.41615449993173226
Energy: 0.4271607874999199
Energy: 0.42959772306983907
Energy: 0.4166345819396723
Energy: 0.46268217941999623
Energy: 0.42843631356088596
Energy: 0.3918989560884221
Energy: 0.4073409766567672
Energy: 0.4094255720332485
Energy: 0.39197255980085244
Energy: 0.40945802525304104
Energy: 0.46177254041729615
Energy: 0.4582469330096141
Energy: 0.4553201848544849
Energy: 0.45209344053596656
Energy: 0.3667595724062667
Energy: 0.4479327794658953
Energy: 0.4211953576318357
Energy: 0.4201824165207111
Energy: 0.45983595260932314
Energy: 0.45681770569466357
Energy: 0.4195221950370055
Energy: 0.4506748344668031
Energy: 0.4693592098245134
Energy: 0.46408771715906744
Energy: 0.4428832577455494
Energy: 0.44074943345096773
Energy: 0.46376332876182275
Energy: 0.3582439895138248
Energy: 0.4407427074895115
Energy: 0.5139416046803902
Energy: 0.4420458501918566
Energy: 0.4717061692740158
Energy: 0.47821864820331295
Energy: 0.3861480782728412
Energy: 0.5014675510399798
Energy: 0.41278357153335604
Energy: 0.44675971286102284
Energy: 0.45520517998551313
Energy: 0.4131011259964891
Energy: 0.4512050895452174
Energy: 0.44410784267412945

minimum gb energy = 0.3498306112233545 eV
minimum distance =  2.35946801899592 Angstroms
sigma value = 67


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

Energy: 0.5589766452147332
Energy: 0.5608713764302593
Energy: 0.5452209269182379
Energy: 0.45978850347105077
Energy: 0.6249799320964107
Energy: 0.5456948230220428
Energy: 0.564314223091407
Energy: 0.570078513603477
Energy: 0.567087716413827
Energy: 0.5553335013300482
Energy: 0.5765966060233575
Energy: 0.554154199298705
Energy: 0.5661267120367643
Energy: 0.5008483868354361
Energy: 0.5405437443526466
Energy: 0.5535526183177161
Energy: 0.5006959812896624
Energy: 0.5452976952142999
Energy: 0.5228235532055932
Energy: 0.5414641080988548
Energy: 0.5401267832373803
Energy: 0.5234439644130436
Energy: 0.5261074760990538
Energy: 0.5480200845440599
Energy: 0.5196294241573932
Energy: 0.5635725579406512
Energy: 0.5622972027783864
Energy: 0.5201013011813542
Energy: 0.5635032579367895
Energy: 0.5752695100468789
Energy: 0.5399349104188056
Energy: 0.5491058846151916
Energy: 0.5365380569600426
Energy: 0.4779581651346858
Energy: 0.555541974172136
Energy: 0.5268421009841339
Energy: 0.5317839877739943
Energy: 0.5338178411125855
Energy: 0.5305952346270703
Energy: 0.5333829015188583
Energy: 0.5351912743652018
Energy: 0.5282031377644443
Energy: 0.5230990809228129
Energy: 0.4607425910058754
Energy: 0.5120466862535453
Energy: 0.5233075690895834
Energy: 0.45630983299966604
Energy: 0.5410146353200124
Energy: 0.5508234719591011
Energy: 0.5414966829508405
Energy: 0.5424471453711318
Energy: 0.5359554535731692
Energy: 0.48592358282192694
Energy: 0.5408425229266429
Energy: 0.5132424910975145
Energy: 0.48667900539754305
Energy: 0.4878277389660126
Energy: 0.5110551797495836
Energy: 0.4859341659038195
Energy: 0.49962472863930174
Energy: 0.5123182987975937
Energy: 0.5171128737068456
Energy: 0.5163268449871021
Energy: 0.460321394084067
Energy: 0.5398973835795142
Energy: 0.5167309753963553
Energy: 0.46529703765848035
Energy: 0.48976562218305597
Energy: 0.5130131333452098
Energy: 0.46562747476865946
Energy: 0.4873544519939196
Energy: 0.46105996798951926
Energy: 0.464365743237543
Energy: 0.4659311102295982
Energy: 0.4603529860302822
Energy: 0.46487036563116035
Energy: 0.4620099191223901
Energy: 0.460326538433785
Energy: 0.541071495851558
Energy: 0.5076048102101338
Energy: 0.5052950809291114
Energy: 0.46039859916615444
Energy: 0.5034128305895845
Energy: 0.5045726804168545
Energy: 0.5398790309192054
Energy: 0.46235177003322947
Energy: 0.4648789577253499
Energy: 0.5394282693274662
Energy: 0.46133315122159807
Energy: 0.4604619439113765
Energy: 0.5411238154703274
Energy: 0.5176812355187546
Energy: 0.5146286794831533
Energy: 0.4843495911576574
Energy: 0.5103271388169877
Energy: 0.5129352786711254
Energy: 0.48447178610467223
Energy: 0.4568254155522427
Energy: 0.5033253771991004
Energy: 0.48516485018992844
Energy: 0.45293787026224125
Energy: 0.49863448432130847
Energy: 0.4910505502025362
Energy: 0.5422403549422481
Energy: 0.5410036495891465
Energy: 0.49175638734877236
Energy: 0.5365861675023461
Energy: 0.48432217786772613
Energy: 0.5368136204284158
Energy: 0.5359740323917573
Energy: 0.5280525215538269
Energy: 0.46487517999993155
Energy: 0.553612236642506
Energy: 0.5289222492135214
Energy: 0.4881286763719358
Energy: 0.5317688080252054
Energy: 0.5311794659179437
Energy: 0.5326096597661635
Energy: 0.5290097905965431
Energy: 0.5434821338809941
Energy: 0.5331627527637779
Energy: 0.5053980219700521
Energy: 0.5548580669807999
Energy: 0.5329854114222303
Energy: 0.5250963684379842
Energy: 0.5529441740124952
Energy: 0.5650676207800304
Energy: 0.523066035080837
Energy: 0.5487931610514476
Energy: 0.5543415066168629
Energy: 0.46385789249332365
Energy: 0.5528524963915069
Energy: 0.5298022767260425
Energy: 0.5297360685159958
Energy: 0.5313504514707749
Energy: 0.5306804221043201
Energy: 0.5234123250591363
Energy: 0.5278212602440515

minimum gb energy = 0.45293787026224125 eV
minimum distance =  2.3522001713228 Angstroms
sigma value = 33


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

Energy: 0.6425829682644186
Energy: 0.6178367184337391
Energy: 0.6527107801270912
Energy: 0.5583890466865008
Energy: 0.6600612907259605
Energy: 0.6080495529558065
Energy: 0.6359200991186836
Energy: 0.6368413353722111
Energy: 0.6365111125122044
Energy: 0.6381841049613207
Energy: 0.631376770357583
Energy: 0.6391869096261952
Energy: 0.649742674031723
Energy: 0.5785990617823751
Energy: 0.5984344751952303
Energy: 0.6314967403336823
Energy: 0.574939122126723
Energy: 0.5986313140414968
Energy: 0.5841006839462545
Energy: 0.5803093158622129
Energy: 0.5966895650122408
Energy: 0.5840809384397857
Energy: 0.5914117934460166
Energy: 0.614326435499611
Energy: 0.5837030437678487
Energy: 0.6330772220336591
Energy: 0.6367749239809258
Energy: 0.584700527610924
Energy: 0.6331703747059119
Energy: 0.6379070447799373
Energy: 0.5748351630119439
Energy: 0.6306750149037121
Energy: 0.6108923223221683
Energy: 0.5379845073658563
Energy: 0.6340223996505977
Energy: 0.5347579758420962
Energy: 0.583069795734958
Energy: 0.6375189342636636
Energy: 0.6407084157161947
Energy: 0.5837539393350628
Energy: 0.6359397448277253
Energy: 0.5839530915421414
Energy: 0.5848185698247601
Energy: 0.5424412730748849
Energy: 0.5431506402853162
Energy: 0.5846442667058237
Energy: 0.5466064971069983
Energy: 0.5677828718962573
Energy: 0.6122735537524355
Energy: 0.5435668511355723
Energy: 0.5799794833342969
Energy: 0.5871457973348685
Energy: 0.5437714678211734
Energy: 0.5910328419596704
Energy: 0.6149328492962054
Energy: 0.545438126211262
Energy: 0.5420100551163001
Energy: 0.6122926576239153
Energy: 0.5433979162491285
Energy: 0.5447924799130857
Energy: 0.5771540477428103
Energy: 0.5441092387468601
Energy: 0.5512756703448152
Energy: 0.546224574301389
Energy: 0.5789049120213728
Energy: 0.5442110001686327
Energy: 0.5432208302763477
Energy: 0.5426337377371624
Energy: 0.5436466378792891
Energy: 0.5433192554267637
Energy: 0.5547359819363752
Energy: 0.5426792488960104
Energy: 0.5440797294360723
Energy: 0.588775895459335
Energy: 0.5659206378273688
Energy: 0.5442707861861406
Energy: 0.5873840444151209
Energy: 0.5425317759159389
Energy: 0.5262856922702414
Energy: 0.5925015433890495
Energy: 0.5442052809050377
Energy: 0.529772506614243
Energy: 0.6184205509216234
Energy: 0.5275169181209598
Energy: 0.5736136587431746
Energy: 0.5833161674531226
Energy: 0.5882499431338354
Energy: 0.5775946283216455
Energy: 0.5836467899525689
Energy: 0.568660615121376
Energy: 0.5855454926493808
Energy: 0.5882024457014167
Energy: 0.6073341917002077
Energy: 0.5857463619681836
Energy: 0.5501438811179067
Energy: 0.5847075268137858
Energy: 0.6473484983290182
Energy: 0.5480303643092004
Energy: 0.5692988481171481
Energy: 0.6306881244062004
Energy: 0.5534007705137456
Energy: 0.5508773915219377
Energy: 0.6520604476827628
Energy: 0.6379461109361336
Energy: 0.5855933403945073
Energy: 0.6337897344557358
Energy: 0.6376707668866001
Energy: 0.6199489416471935
Energy: 0.6171292235767996
Energy: 0.6316210664137006
Energy: 0.6434613006256433
Energy: 0.5457873627908174
Energy: 0.6326373045074289
Energy: 0.5405028377170502
Energy: 0.6046885697454325
Energy: 0.6369110200452138
Energy: 0.6370623415350474
Energy: 0.6085579832655731
Energy: 0.6330384707230869
Energy: 0.6387105718233835
Energy: 0.6492012869982714
Energy: 0.592859212319089
Energy: 0.6024596184708174
Energy: 0.6329104424189336
Energy: 0.588026089866004
Energy: 0.6172106281565543
Energy: 0.6320448600306967
Energy: 0.578999983310365
Energy: 0.5788877188241944
Energy: 0.6311884666012452
Energy: 0.5749656341835964
Energy: 0.6130612627715168
Energy: 0.5839407430872336
Energy: 0.6324900726928415
Energy: 0.6367061202237476
Energy: 0.5844619656945819
Energy: 0.6326767443318864
Energy: 0.640157253805412
Energy: 0.577065769875517
Energy: 0.5549168522534907
Energy: 0.6117850258332299
Energy: 0.5323406852760993
Energy: 0.6325967231808021
Energy: 0.5337599346308386
Energy: 0.5828589865187743
Energy: 0.587039216717654
Energy: 0.587497445385844
Energy: 0.5841134459164021
Energy: 0.6349363648433797
Energy: 0.5828167918528568
Energy: 0.5855822374209574
Energy: 0.5427477733980303
Energy: 0.5422337184429148
Energy: 0.5839107040304743
Energy: 0.5459016569070095
Energy: 0.5683400673231624
Energy: 0.6123941517060586
Energy: 0.5434761697620232
Energy: 0.5430048322456974
Energy: 0.5894685088203863
Energy: 0.5786541683958698
Energy: 0.5904183948083892
Energy: 0.6126300989532257
Energy: 0.5457049816591105
Energy: 0.5424436137999105
Energy: 0.589120282584759
Energy: 0.5437528007564013
Energy: 0.5439749554318176
Energy: 0.5764239269211913
Energy: 0.5685203624583817
Energy: 0.5430656672301727
Energy: 0.5467438618920424
Energy: 0.5782373166688987
Energy: 0.544522524345056
Energy: 0.5428941873979293
Energy: 0.5419464918728816
Energy: 0.5434570842017918
Energy: 0.5429313458958541
Energy: 0.5489704953370922
Energy: 0.541712477780356
Energy: 0.5451295292015875
Energy: 0.5883519542163556
Energy: 0.5692689357546223
Energy: 0.5449477203865813
Energy: 0.5886195054866804
Energy: 0.5421560182039493
Energy: 0.524620132692937
Energy: 0.5854937896310642
Energy: 0.5441877497235802
Energy: 0.5292690648140967
Energy: 0.6144628839752803
Energy: 0.5283595011240654
Energy: 0.525662979281956
Energy: 0.5835481528160906
Energy: 0.5886622204133745
Energy: 0.573492183838677
Energy: 0.5841422276178952
Energy: 0.5736017946185146
Energy: 0.5851879854262252
Energy: 0.6115510808969307
Energy: 0.5868170062104231
Energy: 0.5847029070800203
Energy: 0.550696162054524
Energy: 0.5856048369258056
Energy: 0.6479245110244272
Energy: 0.5484008788329873
Energy: 0.5705047157527804
Energy: 0.6300994318960209
Energy: 0.524197251057011
Energy: 0.5509617905606117
Energy: 0.6537316056448943
Energy: 0.6379461655271601
Energy: 0.6204106175213084
Energy: 0.6337190844320076
Energy: 0.6392323479148546
Energy: 0.6362286235342342
Energy: 0.537945966226748
Energy: 0.6319024985498338
Energy: 0.6475367360480796
Energy: 0.5439985874692402
Energy: 0.6317208755318552
Energy: 0.541109417703431

minimum gb energy = 0.524197251057011 eV
minimum distance =  2.35934742656749 Angstroms
sigma value = 41


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

Energy: 0.8599781123505673
Energy: 0.7075009746568137
Energy: 0.6670356885265061
Energy: 0.658973873963967
Energy: 0.7086650238109744
Energy: 0.6659000593725392
Energy: 0.7441281589399912
Energy: 0.6968770083767118
Energy: 0.6607824157721786
Energy: 0.7020767408844373
Energy: 0.7075444130436344
Energy: 0.6608394556201904
Energy: 0.743618541172402
Energy: 0.6536623527429379
Energy: 0.6520261461523013
Energy: 0.6692859906947805
Energy: 0.6501349816422999
Energy: 0.6517582815230885
Energy: 0.7099422366175294
Energy: 0.6536647442953517
Energy: 0.6518227415413227
Energy: 0.7106939250513848
Energy: 0.6504100870702387
Energy: 0.6589250929936417
Energy: 0.6680650030174977
Energy: 0.6571319333658816
Energy: 0.6601262739712276
Energy: 0.6588793139945712
Energy: 0.6986813605633382
Energy: 0.6596236537830822
Energy: 0.6795440102758776
Energy: 0.6603933477062988
Energy: 0.6589885714919455
Energy: 0.649145169716199
Energy: 0.6572765313595301
Energy: 0.6588470065002292
Energy: 0.6667814068360339
Energy: 0.715257600620045
Energy: 0.6593858398907352
Energy: 0.6582604083087508
Energy: 0.6989593124726307
Energy: 0.6573309986760963
Energy: 0.6717061796708833
Energy: 0.6576878104047612
Energy: 0.6599646149322229
Energy: 0.6722685931352612
Energy: 0.6557922798953284
Energy: 0.6617001360001303
Energy: 0.7031610528683587
Energy: 0.6610922329845443
Energy: 0.6603361787943711
Energy: 0.6550592896595863
Energy: 0.66960260348247
Energy: 0.6599802564970253
Energy: 0.6915706518847088
Energy: 0.65618076217788
Energy: 0.6583275010689281
Energy: 0.6558884310534412
Energy: 0.6670018122949465
Energy: 0.6575525177287606
Energy: 0.716251982000476
Energy: 0.6714419929238472
Energy: 0.6716184113551917
Energy: 0.7026812596871127
Energy: 0.6416565729560606
Energy: 0.6993131765662511
Energy: 0.7434301201423172
Energy: 0.6557737708046787
Energy: 0.6540454418890319
Energy: 0.6690536153791414
Energy: 0.6483316590520402
Energy: 0.6544392862635453
Energy: 0.7499709803523862
Energy: 0.6994590048275243
Energy: 0.6702713145302467
Energy: 0.7096179167368888
Energy: 0.7005094878461804
Energy: 0.6608211332067867
Energy: 0.6767792875889319
Energy: 0.6748599079524094
Energy: 0.6548394978641239
Energy: 0.6426568193585862
Energy: 0.6697696031164733
Energy: 0.656563978396442

minimum gb energy = 0.6416565729560606 eV
minimum distance =  2.38552231911863 Angstroms
sigma value = 11


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

Energy: 0.7804940184685237
Energy: 0.7976198201162902
Energy: 0.8210187080727871
Energy: 0.8081760118021706
Energy: 0.7908655778118082
Energy: 0.8014631805314364
Energy: 0.8600450720996934
Energy: 0.7667449315114785
Energy: 0.7515899010307437
Energy: 0.7397601629182126
Energy: 0.7690619605816509
Energy: 0.7448631103136782
Energy: 0.8644876956682339
Energy: 0.735688534167578
Energy: 0.7355143275486978
Energy: 0.7461665769010318
Energy: 0.735821668653723
Energy: 0.7394189579819064
Energy: 0.77531519111433
Energy: 0.7364443949584507
Energy: 0.7398598861107663
Energy: 0.7503158800544265
Energy: 0.7352568753419744
Energy: 0.7391732208996598
Energy: 0.7817487777714611
Energy: 0.7496749888105091
Energy: 0.7451386013548408
Energy: 0.7451626285855191
Energy: 0.763833839467158
Energy: 0.744057621410095
Energy: 0.7780839570425386
Energy: 0.7415466905295306
Energy: 0.7416101675305264
Energy: 0.7444062658546537
Energy: 0.7873834722946713
Energy: 0.7421961812203124
Energy: 0.7793535926684853
Energy: 0.741342634146937
Energy: 0.7412000781130342
Energy: 0.7833258529443041
Energy: 0.7395912930276317
Energy: 0.7414223451328618
Energy: 0.7752636931415626
Energy: 0.7440092828723194
Energy: 0.7437942536765517
Energy: 0.7633358547420699
Energy: 0.7419630964543392
Energy: 0.7453184237488296
Energy: 0.7916496218603913
Energy: 0.7400810642264519
Energy: 0.7398573829708781
Energy: 0.7303796788051968
Energy: 0.7497910000173795
Energy: 0.7416168773513165
Energy: 0.7979027298812753
Energy: 0.7401873032507716
Energy: 0.7398075180540166
Energy: 0.7311074205820024
Energy: 0.7413854260189698
Energy: 0.7416367857558185
Energy: 0.7836524702614449
Energy: 0.7488304992869785
Energy: 0.7567778033199348
Energy: 0.7680237437097895
Energy: 0.7434389542871793
Energy: 0.7505052222548889
Energy: 0.7708990870110182
Energy: 0.7364275206788735
Energy: 0.7365371774262556
Energy: 0.7706417998023207
Energy: 0.7376056338633132
Energy: 0.7368801725506497
Energy: 0.7709694459943384
Energy: 0.739114899958136
Energy: 0.7392491893533615
Energy: 0.7707356642826334
Energy: 0.7398866980693956
Energy: 0.7390140523591658
Energy: 0.7656571199813643
Energy: 0.7411898828688992
Energy: 0.7393324376241523
Energy: 0.7354295495567226
Energy: 0.7461170304123131
Energy: 0.7388350883555351
Energy: 0.7635429040332794
Energy: 0.7408351175864576
Energy: 0.7395321718560713
Energy: 0.754405834463931
Energy: 0.7395637724536404
Energy: 0.7388027652994675
Energy: 0.7630299842820518
Energy: 0.7424085474190789
Energy: 0.7388201647382477
Energy: 0.763028854574543
Energy: 0.7388543604188323
Energy: 0.7394807011816475
Energy: 0.7626839853115638
Energy: 0.7409349882500335
Energy: 0.7401032321481885
Energy: 0.7606592369423525
Energy: 0.7399686725106204
Energy: 0.7392006131577187
Energy: 0.7818119557987717
Energy: 0.7903628077221517
Energy: 0.7911429777876049
Energy: 0.7508170443871997
Energy: 0.8007017789220899
Energy: 0.7588225207304463
Energy: 0.7695134599236447
Energy: 0.7401336231321071
Energy: 0.7406046944785835
Energy: 0.7699798458786459
Energy: 0.7536764554663441
Energy: 0.7386823246461075
Energy: 0.7617229496115082
Energy: 0.7378014062378992
Energy: 0.7376025371379754
Energy: 0.7547077392546314
Energy: 0.7380450806488217
Energy: 0.7341297401972319
Energy: 0.8076100560504254
Energy: 0.7385956208025083
Energy: 0.7336048554682447
Energy: 0.7532747511946547
Energy: 0.737785606752675
Energy: 0.7396986573275668
Energy: 0.8034523025077881
Energy: 0.7558645541659212
Energy: 0.7432180465009363
Energy: 0.7478996011015492
Energy: 0.7606086489934535
Energy: 0.7382667227693248
Energy: 0.7800877182864743
Energy: 0.7568230851977127
Energy: 0.7406827800121802
Energy: 0.7329069331789326
Energy: 0.7529855610874341
Energy: 0.7403365994020756
Energy: 0.8065062179419378
Energy: 0.7460901523918795
Energy: 0.739425645095721
Energy: 0.7535507424556884
Energy: 0.7692773482826244
Energy: 0.7388459560655645
Energy: 0.7865126158814771
Energy: 0.7389428925780663
Energy: 0.7391269675242353
Energy: 0.7907015881914472
Energy: 0.7402243934108945
Energy: 0.7407587386960562
Energy: 0.7903100111649477
Energy: 0.7409875907293381
Energy: 0.7401385120289385
Energy: 0.7404391494750054
Energy: 0.7385359267016803
Energy: 0.7396091133128195
Energy: 0.7879900855404496
Energy: 0.763861089620142
Energy: 0.7406792580126141
Energy: 0.7391524244754075
Energy: 0.7632095797684751
Energy: 0.7385043776084335
Energy: 0.7877479086313725
Energy: 0.7413067322900925
Energy: 0.7397360532287034
Energy: 0.7392364053326353
Energy: 0.7414622718488804
Energy: 0.7392106815202524
Energy: 0.860922642260725
Energy: 0.7331686207528365
Energy: 0.7328987685617139
Energy: 0.7957901648684943
Energy: 0.7374590474283135
Energy: 0.7335768069082156
Energy: 0.858066524643301
Energy: 0.7587224031588271
Energy: 0.739573773834023
Energy: 0.7398975909591696
Energy: 0.7726332260301331
Energy: 0.739081980652313
Energy: 0.7929613428802497
Energy: 0.768324505945882
Energy: 0.7386944522296182
Energy: 0.735313901696473
Energy: 0.7689594878746798
Energy: 0.7384700497195421

minimum gb energy = 0.7303796788051968 eV
minimum distance =  2.3817290593794 Angstroms
sigma value = 57


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

Energy: 1.0276492609201937
Energy: 0.7928566990999238
Energy: 0.7964369428621592
Energy: 0.7948971021769005
Energy: 0.7717979037244246
Energy: 0.7973083773335488
Energy: 0.8365395963796566
Energy: 0.7801686983973869
Energy: 0.7759584540339413
Energy: 0.77138680645005
Energy: 0.7740380630751376
Energy: 0.7753512608589785
Energy: 0.8412631403585934
Energy: 0.7653835507747782
Energy: 0.7692359280596516
Energy: 0.7763562959700144
Energy: 0.7655473192982404
Energy: 0.7826308571444305
Energy: 0.7702525255364691
Energy: 0.7742010035834458
Energy: 0.7731826443512304
Energy: 0.7715676558011504
Energy: 0.765106741070753
Energy: 0.7745491917798171
Energy: 0.8109476113058851
Energy: 0.7785185540597211
Energy: 0.7747195305145961
Energy: 0.7730518481989104
Energy: 0.7743256231843624
Energy: 0.7736740789755521
Energy: 0.7696617275161778
Energy: 0.7931229706058339
Energy: 0.773812505195419
Energy: 0.7706289794465973
Energy: 0.7884223082982722
Energy: 0.7743402209299878
Energy: 0.7887792181033482
Energy: 0.7564458947731355
Energy: 0.7677073283903129
Energy: 0.789179800312919
Energy: 0.7532813581440376
Energy: 0.7913855510788514
Energy: 0.837216479615479
Energy: 0.7740623120802609
Energy: 0.7740792397530454
Energy: 0.7730913941090138
Energy: 0.7708140376461479
Energy: 0.7750797397429149
Energy: 0.848588201406614
Energy: 0.77947069502529
Energy: 0.7675865429621371
Energy: 0.7683444088647845
Energy: 0.7749076744611447
Energy: 0.7672585842004576
Energy: 0.8478670405593541
Energy: 0.7800456598105054
Energy: 0.7674564700353608
Energy: 0.7684409055988892
Energy: 0.7767790046268046
Energy: 0.7671678274167976
Energy: 0.8387648484608048
Energy: 0.7763477311891562
Energy: 0.7769752713208776
Energy: 0.7725558637419603
Energy: 0.770318238284424
Energy: 0.7832277201179031
Energy: 0.7734156546739349
Energy: 0.7645139375129564
Energy: 0.7652794843433316
Energy: 0.7738705703598076
Energy: 0.7641184909735863
Energy: 0.7824003772268499
Energy: 0.7718135149829732
Energy: 0.7820659001337258
Energy: 0.7739186654402298
Energy: 0.772865134553445
Energy: 0.7712996210977926
Energy: 0.7735977019251575
Energy: 0.7697940394051305
Energy: 0.7744243562436498
Energy: 0.7738186248892017
Energy: 0.7705169005417183
Energy: 0.7794407941280015
Energy: 0.7734206302897217
Energy: 0.7880736882835293
Energy: 0.761903674601485
Energy: 0.7742047161912928
Energy: 0.7728414443680738
Energy: 0.7550426731454938
Energy: 0.7743294154265723
Energy: 0.8377987098031098
Energy: 0.7634013902078425
Energy: 0.7672010829448918
Energy: 0.7760227009542842
Energy: 0.7554772209144648
Energy: 0.7734527911297958
Energy: 0.8133303495664703
Energy: 0.7771723302093116
Energy: 0.7753083735613241
Energy: 0.7850791640646898
Energy: 0.7721200958519209
Energy: 0.7741546116051091

minimum gb energy = 0.7532813581440376 eV
minimum distance =  2.38912112874438 Angstroms
sigma value = 9


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

Energy: 0.8867271949478013
Energy: 0.8335604746428524
Energy: 0.7919152792137186
Energy: 0.8424988743124943
Energy: 0.8700284637094131
Energy: 0.8437278539402023
Energy: 0.9104329852491777
Energy: 0.8148560699442766
Energy: 0.8138804719732917
Energy: 0.800756957236044
Energy: 0.8232683468572823
Energy: 0.8126250839937514
Energy: 0.844383834327438
Energy: 0.8058794554179262
Energy: 0.8066095835223382
Energy: 0.8146215857256865
Energy: 0.8010957616876979
Energy: 0.8047113780449596
Energy: 0.8084752064902554
Energy: 0.8047184049582676
Energy: 0.7962161066220059
Energy: 0.809693964872552
Energy: 0.8064277352130973
Energy: 0.7962426108542568
Energy: 0.7943019703113978
Energy: 0.8144447383900157
Energy: 0.820349602833021
Energy: 0.7950647745218866
Energy: 0.8247753684973769
Energy: 0.8209081583680929
Energy: 0.7919855198980367
Energy: 0.796006743699205
Energy: 0.7937565431972512
Energy: 0.7929039168423229
Energy: 0.7957162404906456
Energy: 0.793295760948625
Energy: 0.8042940651875541
Energy: 0.7929235567642088
Energy: 0.7911857446715431
Energy: 0.8038956796724088
Energy: 0.7937418484407334
Energy: 0.8179502772008456
Energy: 0.8567843215486541
Energy: 0.796909753477065
Energy: 0.797643869561943
Energy: 0.8003380732041984
Energy: 0.8002970424729137
Energy: 0.7982194952452154
Energy: 0.8428413070508324
Energy: 0.8118651351757016
Energy: 0.8060287771064829
Energy: 0.8010232612979925
Energy: 0.8039190224739431
Energy: 0.7987118728159066
Energy: 0.8441192249183653
Energy: 0.8112110766979492
Energy: 0.8056919979591821
Energy: 0.8004580099960744
Energy: 0.804577868312984
Energy: 0.8022501965120458
Energy: 0.8524867312314056
Energy: 0.802830660098312
Energy: 0.8010266756380678
Energy: 0.8107914478202857
Energy: 0.809032421989984
Energy: 0.8001427304691572
Energy: 0.846737936780432
Energy: 0.8097611267329919
Energy: 0.8168293561165599
Energy: 0.8307333020522751
Energy: 0.7946491256210951
Energy: 0.8174759069799932
Energy: 0.8419875826735784
Energy: 0.8073857416151677
Energy: 0.8040111546181724
Energy: 0.794514097804183
Energy: 0.8089708748446665
Energy: 0.7920509031442313
Energy: 0.8454016748256878
Energy: 0.7990400403559418
Energy: 0.7979522521433792
Energy: 0.7984561184055101
Energy: 0.7960584212238219
Energy: 0.7957935414497427
Energy: 0.8378288042339922
Energy: 0.7918876058281882
Energy: 0.796950959680631
Energy: 0.8231194952449394
Energy: 0.792380312620523
Energy: 0.819288045719233
Energy: 0.8228767168913267
Energy: 0.7897011224203252
Energy: 0.8048315941993884
Energy: 0.8241988937557132
Energy: 0.8005959196186734
Energy: 0.8021320915896597
Energy: 0.8240741181910158
Energy: 0.8076288476757661
Energy: 0.8002942932040957
Energy: 0.8258640839100639
Energy: 0.8073975926886251
Energy: 0.8014635918733504
Energy: 0.8221488497563186
Energy: 0.8109753512726057
Energy: 0.815337937578582
Energy: 0.8001418944712235
Energy: 0.8274485244471095
Energy: 0.818799109931401
Energy: 0.8260835205466095
Energy: 0.8080704801488946
Energy: 0.8023000897972007
Energy: 0.8266675022936488
Energy: 0.8074823906417963
Energy: 0.8051991153728337
Energy: 0.8407392617537651
Energy: 0.8089751293005932
Energy: 0.8008173344498694
Energy: 0.809762554085533
Energy: 0.804586018981527
Energy: 0.8047112085810073
Energy: 0.8555963939193518
Energy: 0.8158865085498556
Energy: 0.8179043535156368
Energy: 0.800828635894059
Energy: 0.8244424692671176
Energy: 0.8195413322138115

minimum gb energy = 0.7897011224203252 eV
minimum distance =  2.33346820638635 Angstroms
sigma value = 27


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

Energy: 1.2413737476324782
Energy: 1.1579456452770596
Energy: 0.7709314840361344
Energy: 0.7638536660805979
Energy: 0.8151631110065917
Energy: 0.7626560782378092
Energy: 0.85770888428199
Energy: 0.7913795189587929
Energy: 0.792094109005542
Energy: 0.785939642651695
Energy: 0.8072463099971161
Energy: 0.7950337048259724
Energy: 0.7974724488565507
Energy: 0.7923327142560278
Energy: 0.7944220050779668
Energy: 0.7750899339057497
Energy: 0.7775605024357227
Energy: 0.7931979978905963
Energy: 0.8118594510163526
Energy: 0.7929129155713713
Energy: 0.7944436048648634
Energy: 0.8050891490192037
Energy: 0.7900951358497619
Energy: 0.7975460182762709
Energy: 0.7793199115730278
Energy: 0.7974112504446336
Energy: 0.7775990598634549
Energy: 0.7803560217944621
Energy: 0.7944113415079623
Energy: 0.7768905905136184
Energy: 0.7892199266558119
Energy: 0.7906481278868992
Energy: 0.7881509882935818
Energy: 0.7814709381875943
Energy: 0.7955693256958738
Energy: 0.7878417281491196
Energy: 0.7925502611971911
Energy: 0.7907265453016901
Energy: 0.7909060350441978
Energy: 0.7929097813969043
Energy: 0.7810319949039625
Energy: 0.7937553440386715
Energy: 0.8385718315947055
Energy: 0.7936048468292284
Energy: 0.7915912321597102
Energy: 0.7964491747549322
Energy: 0.7901541209518832
Energy: 0.7917541619925753
Energy: 0.8714482817891007
Energy: 0.7850354797480407
Energy: 0.804410555349828
Energy: 0.8014706649826342
Energy: 0.7855721282362222
Energy: 0.8007003011655432
Energy: 0.872180805320913
Energy: 0.7981522607023179
Energy: 0.7987353228997209
Energy: 0.7908410356352256
Energy: 0.8003486434404363
Energy: 0.7954361361809508
Energy: 0.8438825734281614
Energy: 0.7913273053176021
Energy: 0.7913025867200439
Energy: 0.8096230416199915
Energy: 0.7845179895671935
Energy: 0.7929653401502983
Energy: 0.8360861522724405
Energy: 0.7918389320355019
Energy: 0.790637152917636
Energy: 0.7906061653551385
Energy: 0.783724207755869
Energy: 0.7905585618548517
Energy: 0.8304775317001459
Energy: 0.7950794836722274
Energy: 0.7885784625473361
Energy: 0.7872411422706092
Energy: 0.7877911815971275
Energy: 0.7883858211840621
Energy: 0.8360079479759623
Energy: 0.790994321871365
Energy: 0.7891689832285872
Energy: 0.7882596669140473
Energy: 0.7946660912428948
Energy: 0.7889822736601082
Energy: 0.831759768346728
Energy: 0.7970621015774139
Energy: 0.7957594918949319
Energy: 0.8122553771934777
Energy: 0.796827472542208
Energy: 0.795903860900314
Energy: 0.8013954547354161
Energy: 0.7963213158626629
Energy: 0.7938180369549979
Energy: 0.7973943253127848
Energy: 0.7951331436766202
Energy: 0.7945509321438476
Energy: 0.7781317473927191
Energy: 0.808310351928432
Energy: 0.7858293152345792
Energy: 0.7804952865603372
Energy: 0.7968160082982029
Energy: 0.7759548387305015
Energy: 0.7951984519653501
Energy: 0.7951686066686515
Energy: 0.7936901009897714
Energy: 0.7880321096772852
Energy: 0.7951633218414352
Energy: 0.7945155592772482
Energy: 0.8098825277739637
Energy: 0.7923976664927606
Energy: 0.7974962095816359
Energy: 0.7769744929550317
Energy: 0.7890846341568865
Energy: 0.7966457561210174
Energy: 0.820152762928374
Energy: 0.789501818119868
Energy: 0.7975081172585791
Energy: 0.8034933119565547
Energy: 0.7866865296808094
Energy: 0.7968181189405729
Energy: 0.8691736234019156
Energy: 0.7982898820030708
Energy: 0.7937287520558665
Energy: 0.7827576765866151
Energy: 0.7927204598242247
Energy: 0.7922743395609144
Energy: 0.7789471857697154
Energy: 0.7861757215940839
Energy: 0.777189422580228
Energy: 0.7800772229796147
Energy: 0.7822745420336352
Energy: 0.784506655263396
Energy: 0.8681694706637523
Energy: 0.8013479420630643
Energy: 0.8012157778114739
Energy: 0.792567817531949
Energy: 0.7899519559343486
Energy: 0.7871848638202139
Energy: 0.8204959622089143
Energy: 0.7981464434734683
Energy: 0.7999575375333163
Energy: 0.8025895511950035
Energy: 0.7881963319144399
Energy: 0.8022082332837368
Energy: 0.8418590346950503
Energy: 0.8107671382593367
Energy: 0.8012577389319293
Energy: 0.7837454200227932
Energy: 0.860009087101306
Energy: 0.792505592575636

minimum gb energy = 0.7626560782378092 eV
minimum distance =  2.33974472606449 Angstroms
sigma value = 19


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

Energy: 0.8050489115533973
Energy: 0.7517800971530078
Energy: 0.7907816814267573
Energy: 0.7917705452941683
Energy: 0.7795184242742886
Energy: 0.7749545517370334
Energy: 0.7983954776747109
Energy: 0.7677991204895901
Energy: 0.7738719951576105
Energy: 0.7675735538128394
Energy: 0.7788139581548927
Energy: 0.7733164902192722
Energy: 0.796617923503372
Energy: 0.7712301900038309
Energy: 0.767923274272777
Energy: 0.7614707468357778
Energy: 0.7694300097233662
Energy: 0.7734991065734912
Energy: 0.7942727146288396
Energy: 0.772030503723304
Energy: 0.7706851771293338
Energy: 0.7898100515063036
Energy: 0.7680113697987113
Energy: 0.7707505087258447
Energy: 0.7800947605537905
Energy: 0.7767386124274498
Energy: 0.7798141853270312
Energy: 0.776087096217563
Energy: 0.7659020209862082
Energy: 0.7799457525331865
Energy: 0.7777372035295558
Energy: 0.7711357716665505
Energy: 0.7705069896026678
Energy: 0.7695512869062813
Energy: 0.7687727038873363
Energy: 0.7736958422374927
Energy: 0.7793573799845243
Energy: 0.7563779225483721
Energy: 0.7562628973943929
Energy: 0.766109338593251
Energy: 0.7625990857360072
Energy: 0.7617468330046145
Energy: 0.7861028925173584
Energy: 0.7579806948892169
Energy: 0.7713547031775375
Energy: 0.7820244321342553
Energy: 0.7606721475579888
Energy: 0.7720731585575866
Energy: 0.7659817722511421
Energy: 0.7728660626677577
Energy: 0.7686985137465123
Energy: 0.7664765795524944
Energy: 0.7797746293211978
Energy: 0.7685325422232273
Energy: 0.7673308836655162
Energy: 0.7626128125793424
Energy: 0.7601989852519785
Energy: 0.7678662598720352
Energy: 0.7614042696498475
Energy: 0.7599666665324372
Energy: 0.7968339232298807
Energy: 0.7648537253671285
Energy: 0.763247031833597
Energy: 0.7974468047528017
Energy: 0.7571312909298277
Energy: 0.7630350756564305
Energy: 0.802310684953364
Energy: 0.7596749841652797
Energy: 0.76548573572701
Energy: 0.7628310161299373
Energy: 0.7544976050141973
Energy: 0.7635754904875475
Energy: 0.7902307988413863
Energy: 0.7571623414916161
Energy: 0.7516013773450024
Energy: 0.7605941045393014
Energy: 0.7624015614563349
Energy: 0.7526999159782861
Energy: 0.8066300360816478
Energy: 0.7627055066110775
Energy: 0.7623406621793392
Energy: 0.7515543831593464
Energy: 0.7654093895581197
Energy: 0.7627451250156585
Energy: 0.806042544438831
Energy: 0.7581644596156877
Energy: 0.760519029442911
Energy: 0.7740568832654944
Energy: 0.7520197129756697
Energy: 0.760523709802444
Energy: 0.8107988837095899
Energy: 0.7598703691971005
Energy: 0.757008924642346
Energy: 0.7511263231462358
Energy: 0.752059179006413
Energy: 0.7525883932094052
Energy: 0.7751855713497555
Energy: 0.7612983974783853
Energy: 0.7690993027512575
Energy: 0.7505164388101914
Energy: 0.7741246492268554
Energy: 0.7692778277364318
Energy: 0.7918512675090434
Energy: 0.7503672657648603
Energy: 0.7501015843570598
Energy: 0.7472974828622585
Energy: 0.7504062120403082
Energy: 0.7587727189781673
Energy: 0.8085342250181786
Energy: 0.7578529474758615
Energy: 0.7599688629673155
Energy: 0.7684652806653911
Energy: 0.7688304630583852
Energy: 0.7638926348927784
Energy: 0.7718032635525472
Energy: 0.7591570192801382
Energy: 0.7605608870884814
Energy: 0.7543358977509697
Energy: 0.7523996766048453
Energy: 0.7636360544086095
Energy: 0.7502414896081037
Energy: 0.7632834482315388
Energy: 0.7622752451164018
Energy: 0.7517192520586983
Energy: 0.7525922461876305
Energy: 0.7614648794750153
Energy: 0.7478842012685838
Energy: 0.7682003263973401
Energy: 0.7656034827978034
Energy: 0.7496228375079943
Energy: 0.765549415406423
Energy: 0.7643452599679146
Energy: 0.7619302658772436
Energy: 0.7546085310270252
Energy: 0.7541860497594738
Energy: 0.7637317381993147
Energy: 0.779396773574265
Energy: 0.7529010530305985
Energy: 0.7855703427982402
Energy: 0.7539923754028431
Energy: 0.7500286920582366
Energy: 0.7811022592368406
Energy: 0.7448047313103526
Energy: 0.7596936563833904
Energy: 0.7876592435806606
Energy: 0.7669377727192578
Energy: 0.7656621122288648
Energy: 0.7548444390025771
Energy: 0.7737551981041974
Energy: 0.7648623171739283
Energy: 0.7764136830990944
Energy: 0.7699024856608994
Energy: 0.764216492698628
Energy: 0.7636093033646265
Energy: 0.7683742898982188
Energy: 0.7634297995716163
Energy: 0.8013708185503088
Energy: 0.7732158432606288
Energy: 0.7606054543276158
Energy: 0.7608324286945058
Energy: 0.7674725900754946
Energy: 0.7606009630563786
Energy: 0.7987351589987923
Energy: 0.7680459450954801
Energy: 0.7679192672848931
Energy: 0.7771503537483646
Energy: 0.7671175535269035
Energy: 0.7705719817072947
Energy: 0.7887165460662936
Energy: 0.7920460728814034
Energy: 0.7912116078523419
Energy: 0.7435585675171283
Energy: 0.7918093488480956
Energy: 0.756748797673664

minimum gb energy = 0.7435585675171283 eV
minimum distance =  2.34309596946571 Angstroms
sigma value = 101


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

Energy: 0.759571762586181
Energy: 0.7304533443695643
Energy: 0.752524731419748
Energy: 0.727566145249051
Energy: 0.7296936149224913
Energy: 0.7481236333348977
Energy: 0.7733337816707764
Energy: 0.7293176065975723
Energy: 0.7296501029479312
Energy: 0.7262813502037802
Energy: 0.7247692385484831
Energy: 0.7284461778490225
Energy: 0.7701811462308693
Energy: 0.7322049044905867
Energy: 0.7313249249174462
Energy: 0.763776663020258
Energy: 0.7251538957848979
Energy: 0.7468722328341838
Energy: 0.7590256014513643
Energy: 0.728740348857567
Energy: 0.7274892155631071
Energy: 0.7361953233123726
Energy: 0.7255247204484578
Energy: 0.7274924668173031
Energy: 0.746504776555899
Energy: 0.7533974364094369
Energy: 0.7538944596468008
Energy: 0.7576353345036173
Energy: 0.7658562851539814
Energy: 0.7532795188321512
Energy: 0.7431643935841675
Energy: 0.7294651162636091
Energy: 0.7282545215260767
Energy: 0.7416906774707861
Energy: 0.7286935710518098
Energy: 0.7283688403078467
Energy: 0.7644435893382205
Energy: 0.7252368041144412
Energy: 0.7238241133809155
Energy: 0.7510211075369179
Energy: 0.7209178457646114
Energy: 0.7389255652459992
Energy: 0.730243301536385
Energy: 0.7285751472643943
Energy: 0.7282844344768289
Energy: 0.7399946752851391
Energy: 0.7299012365000072
Energy: 0.7261816843392669
Energy: 0.724038360915574
Energy: 0.7293832825178624
Energy: 0.7288686854073617
Energy: 0.7251664382943848
Energy: 0.7502215490792951
Energy: 0.7308735704761845
Energy: 0.7284430363054711
Energy: 0.7284808763440093
Energy: 0.7274908755958394
Energy: 0.7261625109637184
Energy: 0.7271299606122172
Energy: 0.7285961916988065
Energy: 0.7629224214743348
Energy: 0.7206688839137444
Energy: 0.7363035863668671
Energy: 0.7557632046187048
Energy: 0.7077427998479592
Energy: 0.7351646428223597
Energy: 0.772001136829867
Energy: 0.72578064962992
Energy: 0.7299915935524467
Energy: 0.744246335148901
Energy: 0.7271999585829297
Energy: 0.7299313510938349
Energy: 0.7420686889368444
Energy: 0.7420844745051816
Energy: 0.7413493784487736
Energy: 0.723949969676278
Energy: 0.741190441860684
Energy: 0.7268319175579748
Energy: 0.7387423932819516
Energy: 0.731659662971026
Energy: 0.7310602556952844
Energy: 0.7195745373127667
Energy: 0.7300430101324947
Energy: 0.7308726970398766
Energy: 0.7739419542376689
Energy: 0.7371011956450879
Energy: 0.7380049645549337
Energy: 0.7654622095195155
Energy: 0.7331861112039034
Energy: 0.7400994645783829
Energy: 0.7698459917007376
Energy: 0.7246630213949263
Energy: 0.7288316103238339
Energy: 0.7304038753483433
Energy: 0.7293152762285965
Energy: 0.7288074469941083
Energy: 0.7426206401451738
Energy: 0.7486384377654856
Energy: 0.7246002349780826
Energy: 0.7055836142039295
Energy: 0.7561327460112401
Energy: 0.7207320327169022
Energy: 0.8075533800236868
Energy: 0.7317456537039673
Energy: 0.7303686412546185
Energy: 0.7237313113870568
Energy: 0.7301371052665581
Energy: 0.7249114569076033
Energy: 0.7699300628779763
Energy: 0.7303921321031376
Energy: 0.726077118572519
Energy: 0.7646460720159586
Energy: 0.7274587289442668
Energy: 0.726532581236871
Energy: 0.7580510658130606
Energy: 0.7319322742560213
Energy: 0.728195000386974
Energy: 0.7295043319722915
Energy: 0.7240029568631446
Energy: 0.7288162705319247
Energy: 0.7430626894506343
Energy: 0.7292354665906767
Energy: 0.7467692671354355
Energy: 0.7435664647528584
Energy: 0.7291327781874102
Energy: 0.7241263718934817
Energy: 0.7403728150375806
Energy: 0.7307343099142095
Energy: 0.728417855725982
Energy: 0.7311421903563604
Energy: 0.7291508946308888
Energy: 0.7279202078815696
Energy: 0.7471304932911635
Energy: 0.7222055560246696
Energy: 0.7227792226976948
Energy: 0.7400972721003015
Energy: 0.718877290861144
Energy: 0.7242626851874655
Energy: 0.7491508224244291
Energy: 0.726633137404026
Energy: 0.7269044369949642
Energy: 0.7423543854379338
Energy: 0.7176965276432077
Energy: 0.7409853080755685
Energy: 0.7268862388436256
Energy: 0.732446005295036
Energy: 0.729744672098773
Energy: 0.7290819614596675
Energy: 0.7278837164694402
Energy: 0.727774862025688
Energy: 0.7246212373129857
Energy: 0.7331802887506697
Energy: 0.7312065460583524
Energy: 0.7283119898915611
Energy: 0.7378943724564823
Energy: 0.7315903795013715
Energy: 0.741187217629988
Energy: 0.7212504885886293
Energy: 0.7233130196425782
Energy: 0.7235510300124522
Energy: 0.7086318469562216
Energy: 0.7258851842862075
Energy: 0.7704059185724518
Energy: 0.7244720912849527
Energy: 0.7261174557620556
Energy: 0.7498483715457783
Energy: 0.7075920017595801
Energy: 0.7333316723304214
Energy: 0.7398033450952255
Energy: 0.7330890809482781
Energy: 0.7325702431944658
Energy: 0.725779304920747
Energy: 0.7521438262257801
Energy: 0.7328475771408842
Energy: 0.7404142594617579
Energy: 0.733088169452762
Energy: 0.7332400019914467
Energy: 0.7270173066346202
Energy: 0.7275098178554362
Energy: 0.7324627490056418
Energy: 0.7702300985933141
Energy: 0.7290156688355152
Energy: 0.7337514813559586
Energy: 0.7306797993179668
Energy: 0.7259106311605317
Energy: 0.7344370605879825
Energy: 0.7710956093084366
Energy: 0.7205615757475085
Energy: 0.7268818369814334
Energy: 0.7412120900296244
Energy: 0.724166374763982
Energy: 0.7273718187267297
Energy: 0.7376692744820403
Energy: 0.7376902365815206
Energy: 0.7247627492983095
Energy: 0.7050050626603003
Energy: 0.7331090330624378
Energy: 0.7239663801532858

minimum gb energy = 0.7050050626603003 eV
minimum distance =  2.35721790456757 Angstroms
sigma value = 33


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

Energy: 0.01546500952023964
Energy: 0.9042923256651213
Energy: 0.016505230967399215
Energy: 0.017463143345222015
Energy: 0.904859598621746
Energy: 0.016287197673682505
Energy: 0.37828661194931423
Energy: 0.10389356886679373
Energy: 0.10263890688518276
Energy: 0.10462828588044279
Energy: 0.1037999583730405
Energy: 0.10234759024615796
Energy: 1.1908242661623678
Energy: 0.9059235289814282
Energy: 0.9048048741014268
Energy: 0.9023983688072504
Energy: 0.905235426706721
Energy: 0.9044569269561574
Energy: 0.016956916558045425
Energy: 0.10389356886679373
Energy: 0.10263890688518276
Energy: 0.10462828588002389
Energy: 0.10379995837259698
Energy: 0.10234759024529554

minimum gb energy = 0.01546500952023964 eV
minimum distance =  2.5227986150874 Angstroms
sigma value = 1