Model name: model_name=EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
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=3.5878697186708446
cohesive_energy=3.5216930147876497
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=[1.53308276665875e-19, 2.2020475875359396e-19, 2.7200152715417997e-19, 3.1424291410959e-19, 3.4983046150399795e-19, 3.8035993726486796e-19, 4.0685353008469195e-19, 4.30045036861842e-19, 4.503910779370079e-19, 4.68264960465912e-19, 4.839839154220859e-19, 4.97794678007166e-19, 5.0989591812376795e-19, 5.20454262141828e-19, 5.2961550813504e-19, 5.37515841117294e-19, 5.44252993863264e-19, 5.49884644731774e-19, 5.54476482964818e-19, 5.58105413040828e-19, 5.60838726378432e-19, 5.62730896983186e-19, 5.6383479668401195e-19, 5.641936842500279e-19, 5.63809161857868e-19, 5.6257067931978595e-19, 5.60332438562088e-19, 5.569230066849359e-19, 5.52130896372642e-19, 5.45699759363766e-19, 5.373299886277499e-19, 5.26669105305114e-19, 5.13284521704678e-19, 4.96660336950294e-19, 4.76181315214506e-19, 4.511008421858699e-19, 4.2037910522892e-19, 3.8269911515050796e-19, 3.36524384558628e-19, 2.7989224707663e-19, 2.1025684403308797e-19, 1.242492786196902e-19, 1.74403335317436e-20, -1.1599935069589738e-19, -2.8428381323042396e-19, -4.987800166370759e-19, -7.75463103915804e-19, -1.137824188874316e-18, -1.6210182312158398e-18, -2.2793365883601e-18, -3.2005080440783996e-18, -4.53161241337194e-18, -6.52898193591438e-18, -9.64399783480254e-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: -5.69299980837746e-26 eV

========================================
theta = 0.0
========================================

Energy: 0.013787827218868908
Energy: 0.42535620241366057
Energy: 0.014267066519765443
Energy: 0.014047323486247449
Energy: 0.4243554679884631
Energy: 0.014083015511343182
Energy: 0.42535620241366057
Energy: 0.10348879439663648
Energy: 0.10345223925539457
Energy: 0.10353006357222104
Energy: 0.10341866275786064
Energy: 0.10366816297328989
Energy: 0.014267066519765443
Energy: 0.10345223925539457
Energy: 0.10458474347978387
Energy: 0.014294767454020982
Energy: 0.103328950627764
Energy: 0.10422613968503247
Energy: 0.014047323486247449
Energy: 0.10353006357222104
Energy: 0.014294767454020982
Energy: 0.01399790017233858
Energy: 0.10334076619718051
Energy: 0.014094244003071233
Energy: 0.4243554679884631
Energy: 0.10341866275786064
Energy: 0.103328950627764
Energy: 0.10334076619718051
Energy: 0.10332530072502312
Energy: 0.10342546182486761
Energy: 0.014083015511343182
Energy: 0.10366816297300688
Energy: 0.10422613968503247
Energy: 0.014094244003071233
Energy: 0.10342546182486761
Energy: 0.014338469532364277

minimum gb energy = 0.013787827218868908 eV
minimum distance =  2.53191312765472 Angstroms
sigma value = 1


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

Energy: 1.203411671432252
Energy: 0.7849673752598711
Energy: 0.8140315796636758
Energy: 0.7159768344762543
Energy: 1.1483292330799946
Energy: 0.8140173376316677
Energy: 1.1003737886044027
Energy: 0.7436470385057408
Energy: 0.7449190923189378
Energy: 0.7205058368326819
Energy: 0.750533809546033
Energy: 0.7395890647413013
Energy: 1.1196498612765329
Energy: 0.744494349066659
Energy: 0.7489214231611987
Energy: 0.7459293104890685
Energy: 0.7652118688337137
Energy: 0.7436763541532455
Energy: 1.2062463960181107
Energy: 0.7538906267225525
Energy: 0.7554388473852984
Energy: 0.7553144771411103
Energy: 0.7449365193102904
Energy: 0.7566813153346033
Energy: 1.1011920732491396
Energy: 0.7436642909832886
Energy: 0.753710161695218
Energy: 0.7363021501748015
Energy: 0.7481753394850184
Energy: 0.7517868114716991
Energy: 1.0949365529212127
Energy: 0.737782575203158
Energy: 0.766059994128909
Energy: 0.7439620668694916
Energy: 0.7450212450457988
Energy: 0.7425345400207602
Energy: 1.0962200222995608
Energy: 0.7013017911583341
Energy: 0.7554713868382688
Energy: 0.7420964229392004
Energy: 0.6997623657853063
Energy: 0.7569136553132838
Energy: 1.0575196072165685
Energy: 0.7475735595618118
Energy: 0.7375648948158405
Energy: 0.6954217626324574
Energy: 0.7464353125984254
Energy: 0.7432227361045493
Energy: 0.8911401798021193
Energy: 0.7421438492644011
Energy: 0.742510618576995
Energy: 0.743626532339105
Energy: 0.7525635541512297
Energy: 0.7423549476390496
Energy: 0.886305909375989
Energy: 0.7375652714716605
Energy: 0.7529830268602336
Energy: 0.6975486204040106
Energy: 0.7375343650469194
Energy: 0.7541092768992382
Energy: 0.8756437518427163
Energy: 0.7380028600881972
Energy: 0.7388686032444389
Energy: 0.7848414477086708
Energy: 0.7370455587278381
Energy: 0.7642065968979305
Energy: 0.7929811599773104
Energy: 0.700478188663699
Energy: 0.7453721363031086
Energy: 0.7437745864619774
Energy: 0.7399353002774414
Energy: 0.74359248742907
Energy: 0.7913252497009801
Energy: 0.7341876347251297
Energy: 0.7395635963385537
Energy: 0.7457715241594043
Energy: 0.7534198114433591
Energy: 0.7390529329392183
Energy: 0.8758497059183484
Energy: 0.7446509829094057
Energy: 0.7563262963316214
Energy: 0.7580239206488452
Energy: 0.7415104847166751
Energy: 0.7544510884262685
Energy: 0.8236814375774315
Energy: 0.7368157663871431
Energy: 0.7514388434118571
Energy: 0.7443942326806008
Energy: 0.7363346781222003
Energy: 0.7435812371587409
Energy: 0.8237474723269964
Energy: 0.742812622460002
Energy: 0.739559399590491
Energy: 0.7727879903696868
Energy: 0.6961401637535963
Energy: 0.7614700903945051
Energy: 1.015697592209152
Energy: 0.7402862115517527
Energy: 0.7523403923560964
Energy: 0.7496482957708371
Energy: 0.7380193037792383
Energy: 0.7392530339127932
Energy: 0.989296359191058
Energy: 0.7444121945847921
Energy: 0.6963325199396785
Energy: 0.6945107169765531
Energy: 0.6962097018541776
Energy: 0.7687469111273475
Energy: 0.9900713363275564
Energy: 0.7583267381967533
Energy: 0.7692111275694621
Energy: 0.74284952627296
Energy: 0.7481332604835832
Energy: 0.7684923484953113
Energy: 1.054547879322637
Energy: 0.7486060614478187
Energy: 0.7695925236294446
Energy: 0.7432116549108896
Energy: 0.7441034494469505
Energy: 0.7687198261672482
Energy: 1.141349785696261
Energy: 0.7575795199912919
Energy: 0.7430997802956576
Energy: 0.7352341876561291
Energy: 0.7491160870549413
Energy: 0.7393974788526557
Energy: 1.1494651731150667
Energy: 0.7661564509686306
Energy: 0.7517360349735309
Energy: 0.7383065669631442
Energy: 0.7513098057492003
Energy: 0.7397345052086377
Energy: 1.137548593375021
Energy: 0.7419946598623367
Energy: 0.7443418229389976
Energy: 0.7363751460925945
Energy: 0.7459294002911163
Energy: 0.7386027962462316

minimum gb energy = 0.6945107169765531 eV
minimum distance =  2.37249052431874 Angstroms
sigma value = 33


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

Energy: 1.4579207353991344
Energy: 0.8075476027602646
Energy: 0.8069006254724611
Energy: 0.7759105689121428
Energy: 0.8034773258542277
Energy: 0.8485194274688617
Energy: 1.086103536411664
Energy: 0.7761703981025878
Energy: 0.7614316045278966
Energy: 0.7958096178980673
Energy: 0.7694942281125059
Energy: 0.7429153274350316
Energy: 1.091752050839808
Energy: 0.7936249574990628
Energy: 0.7743284607802159
Energy: 0.8139204210370221
Energy: 0.793729480222551
Energy: 0.7941683245920504
Energy: 1.1769065807380144
Energy: 0.8743333902677454
Energy: 0.8026650229968939
Energy: 0.8083930341383545
Energy: 0.8113243432735755
Energy: 0.7907031411957872
Energy: 1.0873340744867719
Energy: 0.7832993602702543
Energy: 0.7484369218628242
Energy: 0.7744662127372328
Energy: 0.7752269725965986
Energy: 0.7479184707051579
Energy: 1.1718826480077789
Energy: 0.8421741300462701
Energy: 0.7601857590491813
Energy: 0.7488733507724504
Energy: 0.7802090526921548
Energy: 0.8589595993723188
Energy: 1.1708141273360784
Energy: 0.8105432866279411
Energy: 0.8121027073298063
Energy: 0.8118832081062495
Energy: 0.8225592488246876
Energy: 0.8004364317672191
Energy: 1.026781001022543
Energy: 0.8246859133109783
Energy: 0.8279451150497448
Energy: 0.7643607174366854
Energy: 0.823600320840828
Energy: 0.7917860441945979
Energy: 0.95937940610605
Energy: 0.7881861377416096
Energy: 0.8393105575137568
Energy: 0.8509061391849927
Energy: 0.787405437502079
Energy: 0.8415926233983712
Energy: 0.9589387019007759
Energy: 0.8536612612056773
Energy: 0.8490994287089013
Energy: 0.8234446589070105
Energy: 0.851595255492645
Energy: 0.848264333528899
Energy: 0.9678294543023364
Energy: 0.7574564113026905
Energy: 0.7569635702626706
Energy: 0.8048065653630492
Energy: 0.7575894661703889
Energy: 0.7581841541527146
Energy: 0.8865532030949336
Energy: 0.7600493477154652
Energy: 0.8066720900549199
Energy: 0.8515528365111513
Energy: 0.7896062156003334
Energy: 0.8073159935233688
Energy: 0.8846764357087077
Energy: 0.8239032020075299
Energy: 0.8446889839495133
Energy: 0.8659889865440272
Energy: 0.822279463902036
Energy: 0.8289551981383895
Energy: 0.9476241619495218
Energy: 0.7908457121973967
Energy: 0.7967742862957335
Energy: 0.8711540240258396
Energy: 0.7906479232706164
Energy: 0.7939384712146217
Energy: 0.9562657332217879
Energy: 0.8250212800210739
Energy: 0.8510443075177343
Energy: 0.8579825265612708
Energy: 0.8234323668707783
Energy: 0.8332966948242095
Energy: 0.9517526458027326
Energy: 0.8387779515265098
Energy: 0.8491468693627815
Energy: 0.8748857846401891
Energy: 0.8327585041452548
Energy: 0.8571419355011052
Energy: 1.1280758011400513
Energy: 0.8402261872480385
Energy: 0.840456400413116
Energy: 0.8495831176307197
Energy: 0.8466386041776298
Energy: 0.8403775728552279
Energy: 1.0356917880949035
Energy: 0.831253005138589
Energy: 0.8535532738011828
Energy: 0.8234028024556799
Energy: 0.8501925966221062
Energy: 0.8232886971928902
Energy: 1.0346479573145986
Energy: 0.8666238630384268
Energy: 0.853504477702806
Energy: 0.8007140701989066
Energy: 0.8677536929499671
Energy: 0.8547390657890519
Energy: 0.9894847639153063
Energy: 0.8387348174920108
Energy: 0.8535354771410124
Energy: 0.8172163522491711
Energy: 0.8374017257970717
Energy: 0.8693135743383428
Energy: 1.2317743592124564
Energy: 0.8617694746789326
Energy: 0.8256784658138346
Energy: 0.8258267610252674
Energy: 0.8562874105436166
Energy: 0.8265222229117262
Energy: 0.9724182589848182
Energy: 0.8539720001992099
Energy: 0.8369930075527892
Energy: 0.8493486638604522
Energy: 0.8722994746771112
Energy: 0.8453040233921514
Energy: 1.1214823362619823
Energy: 0.866367081159057
Energy: 0.8311103944381228
Energy: 0.8551222547926044
Energy: 0.8676522394770186
Energy: 0.8529416720075592
Energy: 1.2193093747539165
Energy: 0.8555997862492454
Energy: 0.8547868254829118
Energy: 0.7928991137453542
Energy: 0.8619220334598577
Energy: 0.8157792941777606
Energy: 1.1222223902613344
Energy: 0.86787482601421
Energy: 0.8399905511917274
Energy: 0.8356126390545161
Energy: 0.8699284719741184
Energy: 0.824836788249193
Energy: 1.178060191171119
Energy: 0.8531927246307835
Energy: 0.8359955284322327
Energy: 0.8480676499299764
Energy: 0.850362109117068
Energy: 0.8355402388172142
Energy: 1.173038510708616
Energy: 0.822096309622315
Energy: 0.8375626561339712
Energy: 0.8356358210668233
Energy: 0.8203061240207996
Energy: 0.8375127463766388
Energy: 1.0848486334172873
Energy: 0.8235996393745451
Energy: 0.8284040691532976
Energy: 0.826914543594142
Energy: 0.8033810602239866
Energy: 0.8519995499868801
Energy: 0.959858820781429
Energy: 0.8240651803666422
Energy: 0.8234134423137685
Energy: 0.8250187740669284
Energy: 0.7892148838683424
Energy: 0.8468890571731202
Energy: 0.9595855464391806
Energy: 0.8309168204325779
Energy: 0.8529307918793119
Energy: 0.8236389420225945
Energy: 0.8258726491668266
Energy: 0.8436671918196181
Energy: 0.9435347298727842
Energy: 0.7570154149199431
Energy: 0.756956746601818
Energy: 0.8490973648066289
Energy: 0.7574150580852868
Energy: 0.756842423340806
Energy: 0.8849182417593566
Energy: 0.7341736974412976
Energy: 0.7341138360307601
Energy: 0.8508017154986423
Energy: 0.738459182309337
Energy: 0.8190233092547311
Energy: 0.8837506792700549
Energy: 0.8169565493753284
Energy: 0.8391674513282591
Energy: 0.8411752297846771
Energy: 0.8084428464305591
Energy: 0.8228510127288796
Energy: 0.8899926282908537
Energy: 0.7897261545014774
Energy: 0.7901010762072712
Energy: 0.8505091791246063
Energy: 0.7824012568278798
Energy: 0.7936199864774529
Energy: 0.9522324156855727
Energy: 0.8018590742119753
Energy: 0.8030952453913851
Energy: 0.8590256672352615
Energy: 0.8031928618276836
Energy: 0.8267717124973358
Energy: 0.9503490516954483
Energy: 0.8378631502458733
Energy: 0.7701274885644221
Energy: 0.8787565457348511
Energy: 0.8546719682776681
Energy: 0.8579221375254904
Energy: 0.9514040234655864
Energy: 0.7704740552349713
Energy: 0.7936015555967322
Energy: 0.7954262824543246
Energy: 0.7764064168698753
Energy: 0.7905393520418228
Energy: 1.0342383485704676
Energy: 0.8731712987632332
Energy: 0.8145571859507107
Energy: 0.7999728672676215
Energy: 0.7748508594776333
Energy: 0.8775621410746901
Energy: 1.0343945863898751
Energy: 0.7813204506176141
Energy: 0.8157722607090672
Energy: 0.8228891897628525
Energy: 0.7656510036315772
Energy: 0.8204554348906968
Energy: 1.0864423278809268
Energy: 0.8076133264373699
Energy: 0.8140881590038397
Energy: 0.7718715429870543
Energy: 0.8166483490674694
Energy: 0.8117595550712551
Energy: 1.220277890104021
Energy: 0.7564250980233129
Energy: 0.7681149674844113
Energy: 0.7681090554563796
Energy: 0.7455705652214007
Energy: 0.8012477270481687

minimum gb energy = 0.7341138360307601 eV
minimum distance =  2.33292083952062 Angstroms
sigma value = 51


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

Energy: 1.2455786982737516
Energy: 0.8175685641770061
Energy: 0.7836183297460672
Energy: 0.769921473196332
Energy: 0.8174498090141659
Energy: 0.8439609502622819
Energy: 0.9617074401606327
Energy: 0.7996347728211672
Energy: 0.7861021453608604
Energy: 0.7357866308912853
Energy: 0.8179083589407677
Energy: 0.7861787752977767
Energy: 1.1281833111154822
Energy: 0.7987193100425957
Energy: 0.7996489281859408
Energy: 0.7657240926172304
Energy: 0.818671657257646
Energy: 0.7966530647052982
Energy: 1.1277304407365223
Energy: 0.7815098291396733
Energy: 0.7829039735510147
Energy: 0.7304695060427683
Energy: 0.7805423334985541
Energy: 0.7701373789497865
Energy: 0.9623837421273451
Energy: 0.8027061141984132
Energy: 0.7357085063889854
Energy: 0.7359090080850725
Energy: 0.816949227198048
Energy: 0.7366352636655801
Energy: 0.9617271677688745
Energy: 0.7359035255407379
Energy: 0.8152337954258435
Energy: 0.8015656608177734
Energy: 0.8130708313431672
Energy: 0.8153112950142654
Energy: 0.9610483521355475
Energy: 0.7352165460823561
Energy: 0.7376477301970558
Energy: 0.801780090955064
Energy: 0.7359459964101566
Energy: 0.7363230210839583
Energy: 0.9577599328725779
Energy: 0.7371608484190556
Energy: 0.7766673948987637
Energy: 0.7805823869552976
Energy: 0.7144888274179079
Energy: 0.7882208088879934
Energy: 0.8189422185207588
Energy: 0.7882548318374787
Energy: 0.7874089815384855
Energy: 0.8188787912557993
Energy: 0.7863888936601833
Energy: 0.7969576604334973
Energy: 0.8179437881738599
Energy: 0.7715005428806018
Energy: 0.7760896657667572
Energy: 0.8179448204423165
Energy: 0.7696156173872857
Energy: 0.8052477152225159
Energy: 0.8300566067535645
Energy: 0.7460516909015412
Energy: 0.780069727051465
Energy: 0.8379333354826686
Energy: 0.7781585238593687
Energy: 0.769615654630575
Energy: 0.8560238339090342
Energy: 0.7345138145663898
Energy: 0.7486011398134905
Energy: 0.7984858644861896
Energy: 0.7782438176370227
Energy: 0.7842857231177499
Energy: 0.8552206897579253
Energy: 0.7979151133588278
Energy: 0.796265963800544
Energy: 0.8228614952111257
Energy: 0.8267632537330449
Energy: 0.8241755398836327
Energy: 0.8564263840164608
Energy: 0.7539139803203775
Energy: 0.7541724349879121
Energy: 0.7890014844191968
Energy: 0.7533791441640555
Energy: 0.7542724402745358
Energy: 1.0234868400188177
Energy: 0.7625654439456331
Energy: 0.7623146329767837
Energy: 0.7463333065329517
Energy: 0.7755021396524672
Energy: 0.7618697395602345
Energy: 1.0285926532946954
Energy: 0.799744000021908
Energy: 0.7757783919374599
Energy: 0.7462802233526582
Energy: 0.7999574743509423
Energy: 0.7494233615223839
Energy: 1.0457832481140525
Energy: 0.7994447242927544
Energy: 0.7871317255651126
Energy: 0.7901490682923843
Energy: 0.8001259743390986
Energy: 0.7589064078476027
Energy: 1.2261596465537685
Energy: 0.7869919281135372
Energy: 0.770253673764464
Energy: 0.7354165817789615
Energy: 0.7982597704089679
Energy: 0.7849302933113369

minimum gb energy = 0.7144888274179079 eV
minimum distance =  2.3358610412438 Angstroms
sigma value = 19


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

Energy: 1.0554653603256416
Energy: 0.7706341033825641
Energy: 0.7831044296565839
Energy: 0.8458307963918349
Energy: 0.7706207378512683
Energy: 0.8439822951147881
Energy: 0.9097197020397978
Energy: 0.7704190064691717
Energy: 0.7704327020178061
Energy: 0.8044002959446254
Energy: 0.7704593536870541
Energy: 0.7706434748748551
Energy: 0.9067346801232286
Energy: 0.77074435418545
Energy: 0.770530027739281
Energy: 0.8009128853858674
Energy: 0.770666877987779
Energy: 0.7706828287609727
Energy: 0.9035008021312315
Energy: 0.7703181257878687
Energy: 0.7704814720424238
Energy: 0.7883328231601454
Energy: 0.7702982013642996
Energy: 0.7711686747026765
Energy: 0.9085453894294305
Energy: 0.7702184374985827
Energy: 0.7995175556451997
Energy: 0.7989618154726442
Energy: 0.7700552312001713
Energy: 0.799612179082463
Energy: 0.9093033921689024
Energy: 0.7480788773241345
Energy: 0.7984535493195634
Energy: 0.8024396819233469
Energy: 0.7481001043501151
Energy: 0.7999100300996266
Energy: 0.9090185719439753
Energy: 0.8005015519147396
Energy: 0.800069716571564
Energy: 0.8005275229936449
Energy: 0.7567059089008159
Energy: 0.799029609965479
Energy: 0.8664688942718906
Energy: 0.7428011505496203
Energy: 0.7424684478730882
Energy: 0.7713821839389394
Energy: 0.7427494396374512
Energy: 0.7426634691956412
Energy: 0.770691596699271
Energy: 0.742455197793043
Energy: 0.7422547302469297
Energy: 0.7706147578823139
Energy: 0.7426823521255833
Energy: 0.7477274922180596
Energy: 0.7715713096417096
Energy: 0.7755428117739899
Energy: 0.7705799055636514
Energy: 0.7703495920240637
Energy: 0.8014047402087012
Energy: 0.7704950825466752
Energy: 0.7699491428399375
Energy: 0.8100934341626782
Energy: 0.8104245949939621
Energy: 0.7699935290382471
Energy: 0.7901530087856217
Energy: 0.7698805647513789
Energy: 0.9081348990802997
Energy: 0.8029757946994647
Energy: 0.7988496777312889
Energy: 0.7703044451474549
Energy: 0.8044745176576649
Energy: 0.7702162094370596
Energy: 0.7477748777127625
Energy: 0.7983434096114859
Energy: 0.7998124665173512
Energy: 0.7501019968749046
Energy: 0.7991854003617516
Energy: 0.8037530312940366
Energy: 0.9089489080629141
Energy: 0.8022444389446902
Energy: 0.8020589502651898
Energy: 0.7706528268300624
Energy: 0.8024390922865235
Energy: 0.8017271524543612
Energy: 1.0593045732929947
Energy: 0.770499852079968
Energy: 0.7705959924324262
Energy: 0.7428485953568312
Energy: 0.7702925258592546
Energy: 0.7486541476399765
Energy: 1.0589371652343817
Energy: 0.7726081299987674
Energy: 0.7551501114098046
Energy: 0.7429084795505728
Energy: 0.7708693549333784
Energy: 0.74255530854246
Energy: 0.9084516422354888
Energy: 0.7702516439091205
Energy: 0.7703246745223986
Energy: 0.802119864867185
Energy: 0.7704494916703806
Energy: 0.7705980094016054
Energy: 0.9009862037654963
Energy: 0.7704099627498535
Energy: 0.7704684677174132
Energy: 0.7883021704714547
Energy: 0.7703746194163478
Energy: 0.7706658597792522
Energy: 0.9006935824243023
Energy: 0.7708809909397334
Energy: 0.7704586527266535
Energy: 0.7881555127761293
Energy: 0.7708445629766597
Energy: 0.7702176371622254
Energy: 0.909138076174063
Energy: 0.748126318051599
Energy: 0.7995650839877513
Energy: 0.8046991984988424
Energy: 0.7479639570710788
Energy: 0.7981438943803804
Energy: 0.9061364869496721
Energy: 0.7998821339374568
Energy: 0.8011325238984118
Energy: 0.8014493341333917
Energy: 0.7702068036347759
Energy: 0.8016406956242292
Energy: 0.9088738097628135
Energy: 0.7997617533184964
Energy: 0.7992853139844928
Energy: 0.7706103727697416
Energy: 0.757579045911513
Energy: 0.7989299926518921
Energy: 0.8681406831792228
Energy: 0.7433379239490442
Energy: 0.7421836482104164
Energy: 0.8685360201393044
Energy: 0.7421788612993899
Energy: 0.7444831092675805
Energy: 0.7703928465231311
Energy: 0.7745380197484278
Energy: 0.7707413515081166
Energy: 0.7704726283133292
Energy: 0.7827679862112579
Energy: 0.770441733343348
Energy: 0.7706347922048892
Energy: 0.7706286693042684
Energy: 0.7704002077889526
Energy: 0.7706459902932044
Energy: 0.8027268386177061
Energy: 0.7706929650933841
Energy: 0.8697304161359507
Energy: 0.7884917120790508
Energy: 0.7886463227890702
Energy: 0.8673758877586627
Energy: 0.7884952579637651
Energy: 0.7704903392464743
Energy: 0.9086122251878908
Energy: 0.7983336657455434
Energy: 0.7989143383513218
Energy: 0.7713019307279223
Energy: 0.8004254045064423
Energy: 0.7989156686628904
Energy: 0.7480376629170761
Energy: 0.7995579883194458
Energy: 0.7983092798311204
Energy: 0.7480063554082318
Energy: 0.8011773804594191
Energy: 0.7984412300982165
Energy: 0.8686060043104854
Energy: 0.8003783052948407
Energy: 0.798252431721093
Energy: 0.7571342625730962
Energy: 0.8005539850604073
Energy: 0.8009266596696956
Energy: 1.0590222687469102
Energy: 0.7710284102116053
Energy: 0.7479545688303937
Energy: 0.742656617655934
Energy: 0.770629398599027
Energy: 0.7423039552523927

minimum gb energy = 0.7421788612993899 eV
minimum distance =  2.41413636708935 Angstroms
sigma value = 27


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

Energy: 0.9014088873313953
Energy: 0.7729007949353793
Energy: 0.9096173415238931
Energy: 0.748018351808833
Energy: 0.7720023883099665
Energy: 0.7619099729971616
Energy: 0.8923615114827794
Energy: 0.7724146301416431
Energy: 0.6985613850265853
Energy: 0.7066888924101852
Energy: 0.7722012911266705
Energy: 0.6688374427909685
Energy: 0.8131586656259276
Energy: 0.7702640372405316
Energy: 0.7121360553601073
Energy: 0.6695175641472954
Energy: 0.7701498233531667
Energy: 0.7123832108050386
Energy: 0.8147162709199813
Energy: 0.7062751659188339
Energy: 0.6696654655121383
Energy: 0.6997322381947779
Energy: 0.7090634985259603
Energy: 0.6686122494865047
Energy: 0.8920772835418324
Energy: 0.7012645465215663
Energy: 0.6693218428141171
Energy: 0.7280105663378375
Energy: 0.6942823038668828
Energy: 0.6701673728504768
Energy: 0.7691958254826723
Energy: 0.695452199424055
Energy: 0.7008219230133299
Energy: 0.7692224114637347
Energy: 0.6935075049270178
Energy: 0.664560194726993
Energy: 0.7723838865535647
Energy: 0.7050410541210765
Energy: 0.6983694714166269
Energy: 0.772673265050749
Energy: 0.7050814940325152
Energy: 0.7117197012543467
Energy: 0.7733133398569696
Energy: 0.6949334847515674
Energy: 0.6948861043781466
Energy: 0.7731838600449564
Energy: 0.6948131736157723
Energy: 0.694756123886199
Energy: 0.8129569794614593
Energy: 0.6947993162970777
Energy: 0.6689983441414756
Energy: 0.7728190577252093
Energy: 0.6956015035591194
Energy: 0.6699724439032362
Energy: 0.7169941625213314
Energy: 0.69831380184287
Energy: 0.6976506225047159
Energy: 0.7502989576102869
Energy: 0.7001567162141921
Energy: 0.7113503728080514
Energy: 0.8135515932819689
Energy: 0.7465582067678176
Energy: 0.7482239797631797
Energy: 0.7115872782482735
Energy: 0.7471221172566227
Energy: 0.7487478997792109
Energy: 0.801771459128047
Energy: 0.7102103123849216
Energy: 0.7100716682046693
Energy: 0.7068846371153746
Energy: 0.7110569995511912
Energy: 0.6689597121275391

minimum gb energy = 0.664560194726993 eV
minimum distance =  2.40462919807825 Angstroms
sigma value = 9


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

Energy: 1.4242640379557427
Energy: 0.6685109977778079
Energy: 0.7068897951152254
Energy: 0.6515914056553683
Energy: 0.7063112148270126
Energy: 0.6532826144883526
Energy: 0.6937867605060449
Energy: 0.6635119155562097
Energy: 0.6241909267283715
Energy: 0.6352997830298526
Energy: 0.6640054861744519
Energy: 0.6371165316648132
Energy: 0.6917848541631004
Energy: 0.6671556544680718
Energy: 0.6600145045278907
Energy: 0.6617368420770169
Energy: 0.6655230752365109
Energy: 0.6518560984306561
Energy: 0.6917693759696683
Energy: 0.6148144456024088
Energy: 0.6142712806337889
Energy: 0.6427887990773697
Energy: 0.6493020410918954
Energy: 0.6143433976213446
Energy: 0.7300448266544868
Energy: 0.6347225129313855
Energy: 0.6054781440673406
Energy: 0.6634619509729239
Energy: 0.634296656961948
Energy: 0.64687368325202
Energy: 0.6754724601507046
Energy: 0.6578695842073339
Energy: 0.6088504137138468
Energy: 0.6752830067540443
Energy: 0.6367160550997377
Energy: 0.6079547523356504
Energy: 0.6757398067544929
Energy: 0.6145095823495278
Energy: 0.6143169498259803
Energy: 0.6768282942933769
Energy: 0.6181456548718556
Energy: 0.6763303057201739
Energy: 0.6755161643525796
Energy: 0.6412267162810885
Energy: 0.616496766331763
Energy: 0.675791949896926
Energy: 0.6420324976630649
Energy: 0.6530404326383572
Energy: 0.7998395841594679
Energy: 0.6414351941206287
Energy: 0.6533904939110285
Energy: 0.6639049743168537
Energy: 0.6576770858696525
Energy: 0.6450912267412491
Energy: 0.6438166432638488
Energy: 0.6186592660093498
Energy: 0.6145937459661536
Energy: 0.6332563922663786
Energy: 0.6405307479468434
Energy: 0.6140238469489838
Energy: 0.6376931313316939
Energy: 0.6762345608468615
Energy: 0.667266026359794
Energy: 0.6460684835204518
Energy: 0.6757879221239195
Energy: 0.6633810028715047
Energy: 0.8180746350410165
Energy: 0.6760159578556746
Energy: 0.6473025407321619
Energy: 0.6271882138425374
Energy: 0.676064499313936
Energy: 0.614324555981434
Energy: 1.2496990900364402
Energy: 0.7631997089960183
Energy: 0.6130009965269995
Energy: 0.6135508536904279
Energy: 0.6436818985241766
Energy: 0.652094133071856
Energy: 0.8151736557569244
Energy: 0.6616688071309659
Energy: 0.6483120132209961
Energy: 0.6271845393281628
Energy: 0.6774477187245502
Energy: 0.6474108906858954
Energy: 0.6645262441207594
Energy: 0.6447755302086392
Energy: 0.6442518884193544
Energy: 0.6646926850805022
Energy: 0.6463656552039607
Energy: 0.6462265597390009
Energy: 0.6647767628413911
Energy: 0.636111018496112
Energy: 0.6369247054668062
Energy: 0.665844012530952
Energy: 0.6503219648400228
Energy: 0.6545136268476149
Energy: 0.663944265738972
Energy: 0.6134579757575975
Energy: 0.6078374506044161
Energy: 0.6634015957502434
Energy: 0.6254063165936243
Energy: 0.6392196108202385
Energy: 0.6925198936583946
Energy: 0.609315242091031
Energy: 0.6453113963915743
Energy: 0.6633298943725832
Energy: 0.6408327387670399
Energy: 0.621259905940343
Energy: 0.6917280414270065
Energy: 0.6338048222889825
Energy: 0.6342068943305508
Energy: 0.6639765106274116
Energy: 0.6325776110124411
Energy: 0.6348380710919145
Energy: 0.6910132884079075
Energy: 0.6470544247731422
Energy: 0.6375395270250028
Energy: 0.6460664500694652
Energy: 0.6462695638302258
Energy: 0.6329991712948888
Energy: 0.6915900298277586
Energy: 0.6606085877645349
Energy: 0.6313056695872967
Energy: 0.6443571987517698
Energy: 0.6590299471211738
Energy: 0.6377881769289274
Energy: 0.7309434041346794
Energy: 0.6497475040027613
Energy: 0.6476817516583218
Energy: 0.6360653431761846
Energy: 0.6639944595531037
Energy: 0.6099731264599352
Energy: 0.7282479964722062
Energy: 0.6491917084540725
Energy: 0.6262582068597449
Energy: 0.6354624436942398
Energy: 0.663420400402585
Energy: 0.6089630151088736
Energy: 0.691199912262137
Energy: 0.6669222769752062
Energy: 0.6617443044048231
Energy: 0.6640442413309837
Energy: 0.6648920753094982
Energy: 0.6436644117418102
Energy: 0.9090379425875449
Energy: 0.6209339080881555
Energy: 0.645062042181091
Energy: 0.6426257685043072
Energy: 0.6638205524714321
Energy: 0.6453662231428523
Energy: 0.6906941143302007
Energy: 0.6267477936439866
Energy: 0.6098969241772274
Energy: 0.666582534394989
Energy: 0.6271283237305304
Energy: 0.646919013718702
Energy: 0.6320123150108355
Energy: 0.6277734978756278
Energy: 0.6159937027877884
Energy: 0.6325136872837419
Energy: 0.6368670474611113
Energy: 0.6411278089386538
Energy: 0.6759840402032112
Energy: 0.61514936946373
Energy: 0.6094012208355115
Energy: 0.6761572026222956
Energy: 0.6269796884932707
Energy: 0.6146022723327098
Energy: 0.6759550833061493
Energy: 0.6318874488761006
Energy: 0.6506179327434786
Energy: 0.675961213781416
Energy: 0.6410158674673373
Energy: 0.671476473683538
Energy: 0.6714515166043251
Energy: 0.6434144061906378
Energy: 0.6148324291265431
Energy: 0.6599955115536891
Energy: 0.6420685268877742
Energy: 0.6146438790137135
Energy: 0.6378454437271932
Energy: 0.6157642048305672
Energy: 0.6480653461285675
Energy: 0.6447469252547238
Energy: 0.6405831513061624
Energy: 0.6681521610600818
Energy: 0.6417646743263407
Energy: 0.6470256285270953
Energy: 0.6455278706212242
Energy: 0.6345733965504253
Energy: 0.6758586572239422
Energy: 0.6142015361191117
Energy: 0.8165296090753245
Energy: 0.677070457180256
Energy: 0.6758597799186776
Energy: 0.6616171233544773
Energy: 0.6778294756266638
Energy: 0.6145066183753388
Energy: 0.687528005441749
Energy: 0.6759390959096174
Energy: 0.6554903389247707
Energy: 0.6423475539061112
Energy: 0.6757894757328221
Energy: 0.6127330281290814
Energy: 0.684002265199501
Energy: 0.652096400944673
Energy: 0.654710936911186
Energy: 0.6422022935380675
Energy: 0.6636881969958449
Energy: 0.6480183509419534
Energy: 0.6867036148918352
Energy: 0.6458458679125448
Energy: 0.6191485645205674
Energy: 0.6547381922882773
Energy: 0.6476441282400318
Energy: 0.6171473245714438
Energy: 0.6658138837696564
Energy: 0.6509614185258913
Energy: 0.6462786544525734
Energy: 0.6651484693140803
Energy: 0.6504985937646985
Energy: 0.652923040650667
Energy: 0.6638092812457344
Energy: 0.6375591565300673
Energy: 0.633846994779171
Energy: 0.6636356142996606
Energy: 0.6366603802909822
Energy: 0.6435098342274479
Energy: 0.6956860500380562
Energy: 0.6243189832617848
Energy: 0.6156616010129323
Energy: 0.6948048530749614
Energy: 0.6247818968016069
Energy: 0.6634500449966819
Energy: 0.6905899647677498
Energy: 0.6376065065851567
Energy: 0.6397435046096771
Energy: 0.6636738656240357
Energy: 0.6376414670752517
Energy: 0.6401997294030275
Energy: 0.689894866881969
Energy: 0.6337226273335496
Energy: 0.6348161008175593
Energy: 0.6446863526871568
Energy: 0.6471174791648018
Energy: 0.6386093430607661
Energy: 0.6923475181136989
Energy: 0.648064057120027
Energy: 0.6535319929705224
Energy: 0.6430606407991204
Energy: 0.6473372272111619
Energy: 0.631134570316967
Energy: 0.7285343518547981
Energy: 0.6246707663155984
Energy: 0.6512282668750004
Energy: 0.6355725613734541
Energy: 0.6635796846217977
Energy: 0.6087533847780611

minimum gb energy = 0.6054781440673406 eV
minimum distance =  2.36226956281714 Angstroms
sigma value = 57


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

Energy: 0.32258775197439316
Energy: 0.367183879700548
Energy: 0.3587704405285933
Energy: 0.324249315240248
Energy: 0.36635063256518663
Energy: 0.32519017600493666
Energy: 0.39982446638242236
Energy: 0.34449421725493434
Energy: 0.3470159810248379
Energy: 0.36210311372957577
Energy: 0.3679122709973367
Energy: 0.35130862277919767
Energy: 0.40379294095008567
Energy: 0.37380363627209234
Energy: 0.34682667953730745
Energy: 0.3645817786153684
Energy: 0.3660623721746044
Energy: 0.34875730360306295
Energy: 0.4038408917625187
Energy: 0.3691344450208669
Energy: 0.345988096590722
Energy: 0.3664228706560074
Energy: 0.3686545232440846
Energy: 0.3476910016257093
Energy: 0.3991749682219908
Energy: 0.32757445688472975
Energy: 0.34546980627679985
Energy: 0.3695872193272655
Energy: 0.3245385251707264
Energy: 0.35138400568508743
Energy: 0.3656499574735684
Energy: 0.32537304892966296
Energy: 0.326354995794282
Energy: 0.3433595524067206
Energy: 0.32403350861082536
Energy: 0.34356149028426547
Energy: 0.359864986756582
Energy: 0.3444460216691843
Energy: 0.34737723107532914
Energy: 0.3609840573694282
Energy: 0.3411727407994887
Energy: 0.35337333736410875
Energy: 0.3656305205633152
Energy: 0.34466471756734346
Energy: 0.36826814311935013
Energy: 0.36589126263041183
Energy: 0.3438713102881777
Energy: 0.3463904645751113
Energy: 0.39865406682851956
Energy: 0.34761910988762923
Energy: 0.3547564187069455
Energy: 0.3654630828710167
Energy: 0.3642480108795179
Energy: 0.3474300523496777
Energy: 0.32340526719601437
Energy: 0.34469435578872565
Energy: 0.32708967824103685
Energy: 0.3237000007959757
Energy: 0.3639311390939398
Energy: 0.34320759683737295
Energy: 0.3235387990666944
Energy: 0.34378602986188345
Energy: 0.34820347899927856
Energy: 0.32395599095774064
Energy: 0.341380962564726
Energy: 0.3266644539354754
Energy: 0.4007858145171132
Energy: 0.3689368127788124
Energy: 0.35182770878513697
Energy: 0.36354909091111137
Energy: 0.3638802469799854
Energy: 0.3513446898814369
Energy: 0.4042282407215954
Energy: 0.40575272271019636
Energy: 0.3654382994412867
Energy: 0.346965028858556
Energy: 0.40422131582920284
Energy: 0.37070066789967926
Energy: 0.3995174041065071
Energy: 0.36810983069259456
Energy: 0.3542842619051696
Energy: 0.3642647487087383
Energy: 0.3637231720109803
Energy: 0.353435622018678
Energy: 0.403647343374476
Energy: 0.3319477337408641
Energy: 0.3252884873903909
Energy: 0.36540959385777
Energy: 0.3263181679926795
Energy: 0.32570617346447733
Energy: 0.36274070057132174
Energy: 0.3459898696273346
Energy: 0.35215028406022797
Energy: 0.3639725715241273
Energy: 0.3247259743481231
Energy: 0.3501471727096756
Energy: 0.3650615733676783
Energy: 0.33904662321204004
Energy: 0.3560663420792655
Energy: 0.36540779155772357
Energy: 0.36595530551636607
Energy: 0.3474742730470492
Energy: 0.40389759413545373
Energy: 0.3469734815001544
Energy: 0.3571011117549559
Energy: 0.40318420109010517
Energy: 0.3442876967328568
Energy: 0.3462244876579111
Energy: 0.32356507317101996
Energy: 0.34427342996145976
Energy: 0.3462569135019665
Energy: 0.3240060074061414
Energy: 0.3452451992093209
Energy: 0.35867556452748506

minimum gb energy = 0.32258775197439316 eV
minimum distance =  2.40985809331245 Angstroms
sigma value = 11


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

Energy: 1.1574794636906547
Energy: 0.619591440541451
Energy: 0.640055432311801
Energy: 0.514959853785939
Energy: 0.6194447835258395
Energy: 0.6362518905133542
Energy: 0.5002947225657717
Energy: 0.5135533170919725
Energy: 0.5161299559929847
Energy: 0.5091699921482523
Energy: 0.50712528346131
Energy: 0.5056349144224496
Energy: 0.5113522074345359
Energy: 0.5060029509192762
Energy: 0.5112642063616714
Energy: 0.5125150516220465
Energy: 0.505602019595844
Energy: 0.508674861990827
Energy: 0.5106583697766673
Energy: 0.52962556458785
Energy: 0.5067333798571556
Energy: 0.5115920339631197
Energy: 0.509235152353972
Energy: 0.5044865532483342
Energy: 0.5002754037423889
Energy: 0.6200394164409826
Energy: 0.5617258801538734
Energy: 0.5226221548092713
Energy: 0.5190008760732042
Energy: 0.5124180646772604
Energy: 0.5372370620846253
Energy: 0.5126207751438288
Energy: 0.5102311569835554
Energy: 0.5125909030959146
Energy: 0.5136257682018959
Energy: 0.5093828284432287
Energy: 0.5441016933279927
Energy: 0.5128520842305562
Energy: 0.517912402298041
Energy: 0.5058260676355133
Energy: 0.5201846174002431
Energy: 0.5094041346395473
Energy: 0.515907370899139
Energy: 0.5292005849184885
Energy: 0.5282421806701992
Energy: 0.5204988089412229
Energy: 0.5284489177189209
Energy: 0.5305780240032385
Energy: 0.5436701792504989
Energy: 0.5167360398090008
Energy: 0.5054651178922326
Energy: 0.5286425597815995
Energy: 0.5086274320974091
Energy: 0.5137338772520595
Energy: 0.9383485074775252
Energy: 0.5588661560374509
Energy: 0.5587630253016097
Energy: 0.6454587705405327
Energy: 0.55877855062666
Energy: 0.5092388251996617
Energy: 0.5699248649038063
Energy: 0.5582006108964791
Energy: 0.5594707270158319
Energy: 0.5199138940383208
Energy: 0.569261333849075
Energy: 0.5614296015928663
Energy: 0.640257874226441
Energy: 0.5001512491941454
Energy: 0.5068473990935906
Energy: 0.5332983615097521
Energy: 0.4962361849263905
Energy: 0.5135938258009933
Energy: 0.6198055634288879
Energy: 0.48933656551493115
Energy: 0.48661524022286284
Energy: 0.5323363901113725
Energy: 0.498285916093812
Energy: 0.5131384953679627
Energy: 0.6194957477039925
Energy: 0.6203426652765966
Energy: 0.6183629449847955
Energy: 0.5158886898556547
Energy: 0.5606929919872556
Energy: 0.6179837381116714
Energy: 0.6200122242392612
Energy: 0.627258062788014
Energy: 0.552655438137035
Energy: 0.5870894424907471
Energy: 0.6257861411010996
Energy: 0.5191406962349747
Energy: 0.7710717776025955
Energy: 0.620321799507788
Energy: 0.6182486290519329
Energy: 0.5703569843704293
Energy: 0.5761438003094301
Energy: 0.6184677360112858
Energy: 0.7969791759008139
Energy: 0.5701904344133334
Energy: 0.5083569351590451
Energy: 0.7103190596875312
Energy: 0.5968900021598872
Energy: 0.48676655394502716
Energy: 0.992417442843588
Energy: 0.5609471457916285
Energy: 0.5623933212821928
Energy: 0.5250861606322346
Energy: 0.5705823671717866
Energy: 0.6170293227736955
Energy: 0.777405497608846
Energy: 0.51180835204758
Energy: 0.5126664360586645
Energy: 0.5090094351294067
Energy: 0.5213297915110812
Energy: 0.5092529862843967
Energy: 0.6558614317718879
Energy: 0.6352337555072003
Energy: 0.5186008642139277
Energy: 0.6362404455333954
Energy: 0.6254042541123944
Energy: 0.5080702814675424
Energy: 0.7702439294595689
Energy: 0.5757645380051614
Energy: 0.5625210453992072
Energy: 0.5589415292993386
Energy: 0.6183514253071261
Energy: 0.561142264629681
Energy: 0.7277366742954277
Energy: 0.5037761603194264
Energy: 0.5451465747948485
Energy: 0.7872870439761522
Energy: 0.4912418991339659
Energy: 0.4871363677812819
Energy: 0.5072452292600035
Energy: 0.5728093184919233
Energy: 0.5632323970469377
Energy: 0.5092550253156055
Energy: 0.5067646926903111
Energy: 0.5625552629162863
Energy: 0.5056203393548712
Energy: 0.5092076147656325
Energy: 0.5083571005573729
Energy: 0.5056978878126178
Energy: 0.5139159433562575
Energy: 0.5131728121552026
Energy: 0.6009967323184944
Energy: 0.5124246115641273
Energy: 0.5059748917982156
Energy: 0.5136149402447593
Energy: 0.5105584194662791
Energy: 0.508590171587589
Energy: 0.5690009005373311
Energy: 0.5082799280492372
Energy: 0.5115944723750213
Energy: 0.5128146166948127
Energy: 0.5167289663567921
Energy: 0.4873339962170875

minimum gb energy = 0.48661524022286284 eV
minimum distance =  2.38138759892159 Angstroms
sigma value = 41


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

Energy: 1.072719423138935
Energy: 0.6059237922571927
Energy: 0.5977183388880773
Energy: 0.6400738366560297
Energy: 0.6072124173311257
Energy: 0.6438619120131276
Energy: 0.5408067310555736
Energy: 0.5417365455141856
Energy: 0.5422914499701945
Energy: 0.5461332413800755
Energy: 0.5437840421699692
Energy: 0.5432533519185377
Energy: 0.5391104264942499
Energy: 0.5382897848530824
Energy: 0.5404362882095707
Energy: 0.5425141148005439
Energy: 0.5432683359044589
Energy: 0.5399787369918585
Energy: 0.5391308162328186
Energy: 0.5375559437374479
Energy: 0.5425786976933293
Energy: 0.5410438840472016
Energy: 0.5450049405726493
Energy: 0.5396194716518997
Energy: 0.5400465995470235
Energy: 0.5429048197369734
Energy: 0.5529478184512276
Energy: 0.5582936728525263
Energy: 0.5456556451331821
Energy: 0.543540664946578
Energy: 0.5974588139653154
Energy: 0.5472372526422017
Energy: 0.5551195799495391
Energy: 0.5572183146284592
Energy: 0.5487985384669778
Energy: 0.5541035687593933
Energy: 0.5978485088482081
Energy: 0.5447110776126363
Energy: 0.5457862546635809
Energy: 0.543150245253655
Energy: 0.5573181996533626
Energy: 0.5408071484944221
Energy: 0.5598107087513262
Energy: 0.5915925081083662
Energy: 0.588209904993103
Energy: 0.5600604004669818
Energy: 0.5909262717243939
Energy: 0.5487854967836653
Energy: 0.5965464725802221
Energy: 0.5403542100647516
Energy: 0.5434265573457828
Energy: 0.55781253343354
Energy: 0.5450031294692103
Energy: 0.5422442733873436
Energy: 0.7819010534224415
Energy: 0.5516410565803311
Energy: 0.5409144060653805
Energy: 0.7222577776574585
Energy: 0.5678745528821348
Energy: 0.5409397880219917
Energy: 0.7817280292387155
Energy: 0.552331730867163
Energy: 0.5457943131360309
Energy: 0.5436513609723969
Energy: 0.555438005240968
Energy: 0.5440022726245507
Energy: 0.6111082726048026
Energy: 0.5194889167637635
Energy: 0.5186055505951737
Energy: 0.5668705294760105
Energy: 0.5205208165352929
Energy: 0.5455717187010599
Energy: 0.5468440035266793
Energy: 0.519616818725953
Energy: 0.5179698876458525
Energy: 0.567848632019936
Energy: 0.5203108259586572
Energy: 0.5175027521239858
Energy: 0.5467034014809831
Energy: 0.5420314587270888
Energy: 0.5419016883047517
Energy: 0.5455603031629633
Energy: 0.5410452941661147
Energy: 0.5436638531100445
Energy: 0.5917636507272128
Energy: 0.5456385258955213
Energy: 0.5904078420723621
Energy: 0.5917344152795744
Energy: 0.5474435421658024
Energy: 0.5907532292886138
Energy: 0.5419189272585896
Energy: 0.5391191341863676
Energy: 0.5405520965314708
Energy: 0.5579462074118705
Energy: 0.5447854581715124
Energy: 0.5405786119204539
Energy: 1.0007800811020688
Energy: 0.5441425203762184
Energy: 0.520514869874047
Energy: 0.8664842036585275
Energy: 0.5448986900079641
Energy: 0.5619603562242264
Energy: 0.5615200862282604
Energy: 0.5481512599521431
Energy: 0.5429577036708143
Energy: 0.549054171456079
Energy: 0.559237399246408
Energy: 0.5205347250820046
Energy: 0.5402680667390799
Energy: 0.5429431091083446
Energy: 0.5392386011829714
Energy: 0.5434363095449716
Energy: 0.5432672770609325
Energy: 0.5412990056347372
Energy: 0.5388787382510086
Energy: 0.5432026450748944
Energy: 0.5406594362559834
Energy: 0.542364565000548
Energy: 0.5432029722478225
Energy: 0.5391002168730259
Energy: 0.5411145197234716
Energy: 0.5440759739794662
Energy: 0.5434489942861456
Energy: 0.5419794162428804
Energy: 0.5446674176354797
Energy: 0.5431163113127526
Energy: 0.5546435747451391
Energy: 0.690761462928472
Energy: 0.7326996877970791
Energy: 0.5792686460045435
Energy: 0.6841411849486164
Energy: 0.6204491100402597
Energy: 0.5992083216174252
Energy: 0.5395265625835524
Energy: 0.5399568169729849
Energy: 0.5419463736756844
Energy: 0.5448178150148832
Energy: 0.5403709307770729
Energy: 0.560229619738356
Energy: 0.5920767876940756
Energy: 0.5450801908894483
Energy: 0.5596857946544495
Energy: 0.5918594553237129
Energy: 0.5199618195687757
Energy: 0.5982669910791177
Energy: 0.5426790304652538
Energy: 0.5399064081164074
Energy: 0.5586622515910912
Energy: 0.5437680573309253
Energy: 0.5412243202347546
Energy: 0.7814902112220145
Energy: 0.5519920242441648
Energy: 0.551669127495522
Energy: 0.5445173845467817
Energy: 0.5685987796584577
Energy: 0.5525019813967825
Energy: 0.7816419205582358
Energy: 0.5520798799169692
Energy: 0.5461736653277165
Energy: 0.7209904458716038
Energy: 0.5678528723572436
Energy: 0.5406039242297458
Energy: 0.5991402781101322
Energy: 0.5610874347650525
Energy: 0.551830525543266
Energy: 0.5641522949258782
Energy: 0.5192060099715078
Energy: 0.552777387707268
Energy: 0.5476336799280486
Energy: 0.5618655952031841
Energy: 0.5627005016160798
Energy: 0.5670686900239215
Energy: 0.7362770501535166
Energy: 0.5603012039381117
Energy: 0.6483107473311116
Energy: 0.5537037196886331
Energy: 0.5519642181495522
Energy: 0.5456252515923168
Energy: 0.55204814696502
Energy: 0.5520448743495456
Energy: 0.5464703940038375
Energy: 0.5437924911573178
Energy: 0.5392250845865604
Energy: 0.5455983562159955
Energy: 0.539995446133376
Energy: 0.5376967902462398
Energy: 0.5425027282598043
Energy: 0.5444376618459587
Energy: 0.5442556233951713
Energy: 0.545495707144288
Energy: 0.54341985183759
Energy: 0.5469527614218036
Energy: 1.0008244042632404
Energy: 0.5457874126387735
Energy: 0.5206024574091961
Energy: 0.5244793564896392
Energy: 0.54678171698025
Energy: 0.5252521495631978

minimum gb energy = 0.5175027521239858 eV
minimum distance =  2.37678388584091 Angstroms
sigma value = 33


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

Energy: 0.8032099975564113
Energy: 0.637088316157087
Energy: 0.6017315938725979
Energy: 0.594486607349508
Energy: 0.6379992568999228
Energy: 0.6478821205572318
Energy: 0.6632570186763371
Energy: 0.5905523172247173
Energy: 0.5883029514847187
Energy: 0.6039457360180078
Energy: 0.5938359138013031
Energy: 0.5904851405349247
Energy: 0.6661019420967486
Energy: 0.6551022151183155
Energy: 0.5900087553388724
Energy: 0.652841630433038
Energy: 0.5903001245881262
Energy: 0.65946260022065
Energy: 0.6664721064974729
Energy: 0.5933053018166707
Energy: 0.6540499621898626
Energy: 0.668188542460948
Energy: 0.5892566871696184
Energy: 0.5889201763978152
Energy: 0.6605357313602043
Energy: 0.6243654157147023
Energy: 0.5805107210697393
Energy: 0.6664799641151748
Energy: 0.6428144313955722
Energy: 0.5893669610148651
Energy: 0.7339512891428445
Energy: 0.6047803582495077
Energy: 0.6228586781447303
Energy: 0.670413837753023
Energy: 0.6050989413324115
Energy: 0.6244251335098733
Energy: 0.7031497625888128
Energy: 0.632607658048307
Energy: 0.633087548015668
Energy: 0.6014200991668891
Energy: 0.6491702675620402
Energy: 0.6648081228355822
Energy: 0.6602740658842167
Energy: 0.7028027093536116
Energy: 0.6377809918537299
Energy: 0.6006482258096779
Energy: 0.7412158446408851
Energy: 0.6377176268908128
Energy: 0.6996711526069299
Energy: 0.642842095509312
Energy: 0.6593366262615284
Energy: 0.6564202433741416
Energy: 0.644717790899262
Energy: 0.6595629970257308
Energy: 1.0026053838430318
Energy: 0.6566928898703317
Energy: 0.6554190415144916
Energy: 0.667450856583279
Energy: 0.6549062163634256
Energy: 0.655758645968624
Energy: 0.7020160058780118
Energy: 0.6472096260400316
Energy: 0.6605321385483486
Energy: 0.6622584743065756
Energy: 0.6758135050772538
Energy: 0.6609528613617146
Energy: 0.9150186186913689
Energy: 0.5630847607653948
Energy: 0.5625352524265125
Energy: 0.6616071017821307
Energy: 0.5630226658974072
Energy: 0.5629342587740982
Energy: 0.7136759708477236
Energy: 0.5635934628638853
Energy: 0.562308238854956
Energy: 0.6454838265431524
Energy: 0.5633284828097411
Energy: 0.561407409069764
Energy: 0.6797382106228339
Energy: 0.6792078266145705
Energy: 0.6615011327874899
Energy: 0.6735472628947154
Energy: 0.6779489888600155
Energy: 0.6595510669335201
Energy: 0.6020067923044742
Energy: 0.6559751389730868
Energy: 0.6548246834860605
Energy: 0.6561840034230625
Energy: 0.6578802450341861
Energy: 0.6545524659007951
Energy: 0.6734922734589632
Energy: 0.67252034686433
Energy: 0.6635021157209436
Energy: 0.6806220554609718
Energy: 0.6760373301856977
Energy: 0.6604209661868262
Energy: 0.9697469740241358
Energy: 0.6565222057020837
Energy: 0.6298844537143893
Energy: 0.8506910063697821
Energy: 0.7356893502007271
Energy: 0.6205380669744842
Energy: 0.6744055284301171
Energy: 0.7110383215197036
Energy: 0.6592185160213271
Energy: 0.6527420745023236
Energy: 0.7164420806978807
Energy: 0.6531366674280281
Energy: 0.7263931069763051
Energy: 0.5987313660522864
Energy: 0.5999835713054583
Energy: 0.6965867715172698
Energy: 0.5995813290665276
Energy: 0.6670549070785529
Energy: 0.6429081528104422
Energy: 0.6006195271465086
Energy: 0.6027803817617863
Energy: 0.6428070695186608
Energy: 0.5990462552474456
Energy: 0.6593310009790059
Energy: 0.6439005605201503
Energy: 0.6793305278709509
Energy: 0.6597276800331293
Energy: 0.644642206832176
Energy: 0.6803031325302993
Energy: 0.6450942783144498
Energy: 0.72337171966252
Energy: 0.6569250566075174
Energy: 0.6570410462148067
Energy: 0.7235002532478112
Energy: 0.6664410755014034
Energy: 0.730081099419134
Energy: 0.6743647552557963
Energy: 0.6803258669705534
Energy: 0.6593261246697448
Energy: 0.6467712464708303
Energy: 0.6873517435263491
Energy: 0.6504965978283447
Energy: 0.6246177814060143
Energy: 0.6673726154200943
Energy: 0.5631510464755095
Energy: 0.5617934206393793
Energy: 0.652271885894393
Energy: 0.562557411401862
Energy: 0.6223401934093865
Energy: 0.6780159334485688
Energy: 0.6608577875999054
Energy: 0.5975378143315992
Energy: 0.6590514423873436
Energy: 0.6630445052256427
Energy: 0.669377227329
Energy: 0.6567627495823557
Energy: 0.6572387504872579
Energy: 0.6551741927976851
Energy: 0.6557128041311631
Energy: 0.6571121732813083
Energy: 0.669603798565859
Energy: 0.6580425456973431
Energy: 0.6613525407341281
Energy: 0.6559131202929875
Energy: 0.6582836685378798
Energy: 0.6596631330276882
Energy: 0.6693929344875638
Energy: 0.6835709450757778
Energy: 0.6897500692744599
Energy: 0.6699568714769113
Energy: 0.6208681135397125
Energy: 0.6610106734000718
Energy: 0.7950354541427214
Energy: 0.6301423197486375
Energy: 0.6188243619784818
Energy: 0.7427581959239248
Energy: 0.6021436627926147
Energy: 0.6205199721315572
Energy: 0.7823803254535624
Energy: 0.6580142690532235
Energy: 0.6902986271178132
Energy: 0.707696708616284
Energy: 0.6472770725942969
Energy: 0.6916745040972001
Energy: 0.6602785375851238
Energy: 0.7025381708883153
Energy: 0.63785004898622
Energy: 0.6012645371131123
Energy: 0.7332078604186909
Energy: 0.6379631060750043
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Energy: 0.6552989449693772
Energy: 0.6530871357919443
Energy: 0.7214746475838562
Energy: 0.6409925970912105
Energy: 0.6538824892211625
Energy: 0.7447851088392817
Energy: 0.6564660084976124
Energy: 0.6583668817277342
Energy: 0.6545658533139381
Energy: 0.654869687132008
Energy: 0.6551782715292686
Energy: 0.744795039843346
Energy: 0.6578927563750677
Energy: 0.6601507133986697
Energy: 0.6610166565203691
Energy: 0.6621431512694185
Energy: 0.6641674924660083
Energy: 0.7003112668293451
Energy: 0.5631390429346523
Energy: 0.5627760082493389
Energy: 0.6839409750895902
Energy: 0.578467505234005
Energy: 0.6585173445363909
Energy: 0.7141622961506428
Energy: 0.5634528974292968
Energy: 0.5627675922634336
Energy: 0.6472952035210251
Energy: 0.5638416217087123
Energy: 0.5627442190213142
Energy: 0.6760077691432272
Energy: 0.6759641434303234
Energy: 0.6754504540916348
Energy: 0.6705048677387503
Energy: 0.6773075539357353
Energy: 0.6566229416828632
Energy: 0.6624103029920498
Energy: 0.6558980345959498
Energy: 0.6561215426283593
Energy: 0.6637636831622821
Energy: 0.6561421084456532
Energy: 0.6554608720875245
Energy: 0.676186169662491
Energy: 0.6758283108723273
Energy: 0.6613393128848262
Energy: 0.6607813990092635
Energy: 0.670807050158668
Energy: 0.6623886683810319
Energy: 0.9690695949900092
Energy: 0.7132322553580815
Energy: 0.6556083106071202
Energy: 0.60130314150267
Energy: 0.7142638359262076
Energy: 0.6072785818362897
Energy: 0.6733421988753099
Energy: 0.655355233220924
Energy: 0.6248780818331803
Energy: 0.6182042251982001
Energy: 0.6588627001077003
Energy: 0.6570730321780113
Energy: 0.673605010623358
Energy: 0.5985733431948451
Energy: 0.6006346398481239
Energy: 0.6696819156510585
Energy: 0.5996021860211381
Energy: 0.6674098489734683
Energy: 0.7173275427693256
Energy: 0.5996184254184471
Energy: 0.6033121469429568
Energy: 0.5930064773882489
Energy: 0.6000216642346822
Energy: 0.6032878851240034
Energy: 0.6344506418414609
Energy: 0.6220710503203811
Energy: 0.650393246172762
Energy: 0.6415062354515427
Energy: 0.5826924704032415
Energy: 0.6067880587991956
Energy: 0.7079328754414583
Energy: 0.6641788716730247
Energy: 0.6260459297992703
Energy: 0.7178324052521167
Energy: 0.6177642201073323
Energy: 0.6818549537453635
Energy: 0.6669404797819201
Energy: 0.5903469784904479
Energy: 0.5933522055196441
Energy: 0.602371253776728
Energy: 0.5940151007187622
Energy: 0.5901249810297259
Energy: 1.0430469062669543
Energy: 0.6006136388968507
Energy: 0.5627141756365878
Energy: 0.5620349093043291
Energy: 0.57854716518871
Energy: 0.6096072132755086

minimum gb energy = 0.561407409069764 eV
minimum distance =  2.38256288193177 Angstroms
sigma value = 67


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

Energy: 0.8967601300074745
Energy: 0.6525151290991597
Energy: 0.648251748524042
Energy: 0.647263544637799
Energy: 0.6524540536294644
Energy: 0.6470402811356093
Energy: 0.6485831398037715
Energy: 0.619943230154751
Energy: 0.6195630642642621
Energy: 0.6193509875136269
Energy: 0.6212606903576949
Energy: 0.6192803311633772
Energy: 0.6296278600086733
Energy: 0.5871362585888044
Energy: 0.6126074448048643
Energy: 0.6104327909370787
Energy: 0.5935260967711989
Energy: 0.6125525010349397
Energy: 0.6293447077730556
Energy: 0.6135906110872358
Energy: 0.6124873123457533
Energy: 0.6108367007219698
Energy: 0.6095879240154676
Energy: 0.6123203304805415
Energy: 0.646031263838168
Energy: 0.6206160986086975
Energy: 0.6207671971817881
Energy: 0.6466735840814691
Energy: 0.6204677661189938
Energy: 0.6212271582343094
Energy: 0.6474229541679024
Energy: 0.6225249587549269
Energy: 0.6232278955722819
Energy: 0.6479322290062436
Energy: 0.6250214999169681
Energy: 0.6234655327369504
Energy: 0.6685995959665025
Energy: 0.6198050418029455
Energy: 0.6195906577826237
Energy: 0.5860976539110738
Energy: 0.6206841883197184
Energy: 0.6192951322794463

minimum gb energy = 0.5860976539110738 eV
minimum distance =  2.41335106376248 Angstroms
sigma value = 3


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

Energy: 0.9725760718072053
Energy: 1.162547151970145
Energy: 0.7060482782379774
Energy: 0.6836808368425694
Energy: 1.1611235137659826
Energy: 0.6983446686971047
Energy: 0.7000522975434337
Energy: 0.7325157845015733
Energy: 0.7161325813392191
Energy: 0.7269122304877085
Energy: 0.7383940749896478
Energy: 0.7001635280026935
Energy: 0.7338201913429628
Energy: 0.7110727988068394
Energy: 0.7107028264762968
Energy: 0.7335573732755996
Energy: 0.7109691348252545
Energy: 0.7000226882636109
Energy: 0.6999232296938211
Energy: 0.6982359485073553
Energy: 0.6986185333947942
Energy: 0.700691154753242
Energy: 0.7182655775385615
Energy: 0.6982508778741211
Energy: 0.697787796342788
Energy: 0.6804420389226317
Energy: 0.7052582191333506
Energy: 0.6984754595687501
Energy: 0.6795070014280071
Energy: 0.6984096967333555
Energy: 0.697743277473309
Energy: 0.6984927008933485
Energy: 0.6981181373833907
Energy: 0.6990380904892567
Energy: 0.6771220743798224
Energy: 0.6985162502831914
Energy: 0.7064431989599983
Energy: 0.684065536226593
Energy: 0.6864283858261033
Energy: 0.6957621642783179
Energy: 0.7077128677339626
Energy: 0.7011711962641107
Energy: 0.8920217548678578
Energy: 0.7332678751060986
Energy: 0.7175082442149432
Energy: 0.6914732111905157
Energy: 0.7136826246615867
Energy: 0.7400565851421979
Energy: 0.7040797522257688
Energy: 0.6829548080924294
Energy: 0.6801622160875598
Energy: 0.6791844314092418
Energy: 0.6746750609669696
Energy: 0.7220805477446394
Energy: 0.8069570228809501
Energy: 0.6897659811317595
Energy: 0.682312326274744
Energy: 0.7341527506209424
Energy: 0.689945756514571
Energy: 0.7166412255315527
Energy: 0.7111978422649867
Energy: 0.6887096331908417
Energy: 0.6925120911405442
Energy: 0.7110417766203468
Energy: 0.6808614019043017
Energy: 0.6780425500146025
Energy: 0.7144064955264715
Energy: 0.6952611251492191
Energy: 0.6937846943513656
Energy: 0.6779334727915624
Energy: 0.6875721514320386
Energy: 0.6934323642752632
Energy: 0.6986093479242182
Energy: 0.6938422481988221
Energy: 0.6922224446494823
Energy: 0.674152056559957
Energy: 0.6938621025913506
Energy: 0.6930031461325685
Energy: 0.75145805361223
Energy: 0.6945060171964542
Energy: 0.6940800041576008
Energy: 0.7254422999359194
Energy: 0.6963816782219672
Energy: 0.6937332029048686
Energy: 0.7306297566711001
Energy: 0.6969012444311593
Energy: 0.7449876215265677
Energy: 0.709187096054975
Energy: 0.6963413917708362
Energy: 0.6956760664767518
Energy: 0.7141387026632096
Energy: 0.7162902583989191
Energy: 0.7169508098996842
Energy: 0.7346723963025037
Energy: 0.7108737115327264
Energy: 0.7201870419685871
Energy: 0.7720481339944457
Energy: 0.6845691433023333
Energy: 0.6861297143345447
Energy: 0.7721372225186727
Energy: 0.7108118148971385
Energy: 0.6791240357463587
Energy: 0.7481016265696429
Energy: 0.7212684232830057
Energy: 0.7360837774203645
Energy: 0.7477367522692767
Energy: 0.6929593491226506
Energy: 0.6884695317515067
Energy: 0.8144105520618843
Energy: 0.6925203621938533
Energy: 0.6936087973884455
Energy: 0.728782211150516
Energy: 0.790887459968323
Energy: 0.6914888145218923
Energy: 0.7572403587138895
Energy: 0.6917691280655246
Energy: 0.6917702399111489
Energy: 0.745250768769673
Energy: 0.6942559703059734
Energy: 0.6827621316681454
Energy: 0.7040665096857744
Energy: 0.6854947784487485
Energy: 0.6865142914474787
Energy: 0.686197314310428
Energy: 0.6856017160458484
Energy: 0.6814642719621967
Energy: 0.7044099973619521
Energy: 0.6893954650901566
Energy: 0.6850747457895846
Energy: 0.705368976221809
Energy: 0.6874520810005076
Energy: 0.6854969709355656
Energy: 0.713669255508799
Energy: 0.6875816030087321
Energy: 0.713795183557588
Energy: 0.7145780996227039
Energy: 0.6933346043983345
Energy: 0.7106421831389865
Energy: 0.7065584728011708
Energy: 0.6907643534386134
Energy: 0.6919736138185218
Energy: 0.7069355556595462
Energy: 0.6910264540784256
Energy: 0.7059537041561682
Energy: 0.7198881759059732
Energy: 0.6954167333681687
Energy: 0.6951576172779614
Energy: 0.6898499346192342
Energy: 0.7270754364952333
Energy: 0.6950435801454824
Energy: 0.8130601386204465
Energy: 0.682733318782626
Energy: 0.6830340868296662
Energy: 0.7139836274954167
Energy: 0.6832798142485702
Energy: 0.7070960529740056
Energy: 0.6779094756186616
Energy: 0.7046355162459209
Energy: 0.706656339303927
Energy: 0.7108080674377809
Energy: 0.6837668544869193
Energy: 0.7069803012793971
Energy: 0.7219204235627197
Energy: 0.6947613400117975
Energy: 0.6963305469612582
Energy: 0.6919272005735239
Energy: 0.6955208260965818
Energy: 0.6952491871004091
Energy: 0.7166819109742014
Energy: 0.7122586353119934
Energy: 0.7116432043417055
Energy: 0.71673190147252
Energy: 0.7134244216546728
Energy: 0.7173808220585214
Energy: 0.7169708100960651
Energy: 0.7143292432259477
Energy: 0.7127182775032769
Energy: 0.718249307372026
Energy: 0.713949700419471
Energy: 0.7196368534175545
Energy: 0.7152512514986422
Energy: 0.71179955497663
Energy: 0.7101279073856125
Energy: 0.7156873930652731
Energy: 0.7753699913222185
Energy: 0.708019317134378
Energy: 0.7231336160869701
Energy: 0.6962042893241212
Energy: 0.698064935650813
Energy: 0.6880138370385968
Energy: 0.6945546874497189
Energy: 0.6870462269035454
Energy: 0.7982966536417315
Energy: 0.6910737709505462
Energy: 0.706793842060663
Energy: 0.6911346299855912
Energy: 0.739140106548146
Energy: 0.6861012318776786
Energy: 0.7181151108718433
Energy: 0.7308924662670081
Energy: 0.6957641761675359
Energy: 0.7242067414120713
Energy: 0.7277741545989908
Energy: 0.6916608459221207
Energy: 0.7083221639459722
Energy: 0.7234780943797942
Energy: 0.7297124306230972
Energy: 0.7023320688842092
Energy: 0.7177649611558617
Energy: 0.6865868990756259
Energy: 0.7258606450966085
Energy: 0.6896251129433548
Energy: 0.6820056772315698
Energy: 0.7267124602791247
Energy: 0.6896728265462436
Energy: 0.6909911095928001
Energy: 0.7140772935427452
Energy: 0.683731618007569
Energy: 0.6809424860676389
Energy: 0.6852369520785391
Energy: 0.6850160127903242
Energy: 0.6822969443877166
Energy: 0.6989510379233165
Energy: 0.6927652005737549
Energy: 0.6930989269611116
Energy: 0.6901029300020337
Energy: 0.6934594818629137
Energy: 0.7352117483071492
Energy: 0.7595753926650909
Energy: 0.6936260000418937
Energy: 0.6927204208094098
Energy: 0.7141887065813838
Energy: 0.7016434546733602
Energy: 0.6935451048095291
Energy: 0.7277246563780287
Energy: 0.6937829206723547
Energy: 0.6942756634782983
Energy: 0.7053073829846762
Energy: 0.6938622836363957
Energy: 0.6946297036825706
Energy: 0.7740974138107035
Energy: 0.6939314165694114
Energy: 0.6946326854919073
Energy: 0.7189633580569751
Energy: 0.7169602954442832
Energy: 0.6947620429557476
Energy: 0.771973864814027
Energy: 0.6948749625820813
Energy: 0.6809557369346553
Energy: 0.702821231709959
Energy: 0.7080580700418233
Energy: 0.7155746224491837
Energy: 0.871913860072887
Energy: 0.7102746583601237
Energy: 0.6867040172535253
Energy: 0.7684696046280683
Energy: 0.7103758946594575
Energy: 0.6787463468942748
Energy: 0.7018807280818731
Energy: 0.7161272693890802
Energy: 0.71969788427485
Energy: 0.7014654799280661
Energy: 0.7119799092635224
Energy: 0.7323866955632027
Energy: 0.8482147490483711
Energy: 0.6806494182520899
Energy: 0.7325837513823538
Energy: 0.7662656470822096
Energy: 0.6794415529609447
Energy: 0.7314023307050441
Energy: 0.7009028741890485
Energy: 0.6953925748018714
Energy: 0.6944168945508757
Energy: 0.6982516262883239
Energy: 0.6948200921834394
Energy: 0.6962644457760023
Energy: 0.6780567277691374
Energy: 0.6855625255133424
Energy: 0.6839728992394706
Energy: 0.6845346190593441
Energy: 0.6828149776692706
Energy: 0.6840515241369751
Energy: 0.6771682529765091
Energy: 0.6822631469800883
Energy: 0.6837771445996493
Energy: 0.6830375278486912
Energy: 0.6821577379371648
Energy: 0.6862577005655012
Energy: 0.6869200218437249
Energy: 0.690109213010873
Energy: 0.6873370804987319
Energy: 0.687328142720506
Energy: 0.6936043476488543
Energy: 0.6870883424549739
Energy: 0.6991468134361281
Energy: 0.6898872528337013
Energy: 0.6900167838108425
Energy: 0.7049035910246368
Energy: 0.693613146326867
Energy: 0.6999509919680265
Energy: 0.7061305357978888
Energy: 0.7320488563370577
Energy: 0.7190572472704545
Energy: 0.7137965148446511
Energy: 0.7252197753404059
Energy: 0.7017048011629675

minimum gb energy = 0.674152056559957 eV
minimum distance =  2.35112187405225 Angstroms
sigma value = 81


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

Energy: 1.3538932993298132
Energy: 0.66379276562967
Energy: 0.6229977560492875
Energy: 0.6805306693397232
Energy: 0.6633408350084724
Energy: 0.7702638403488263
Energy: 0.6442421866158329
Energy: 0.6494885375163644
Energy: 0.6501545097453238
Energy: 0.6456888491464684
Energy: 0.6474068966005158
Energy: 0.6573336685781881
Energy: 0.6457742352086709
Energy: 0.7571296734256145
Energy: 0.7520352854085756
Energy: 0.6578026415233976
Energy: 0.7643213831579473
Energy: 0.6483287559869203
Energy: 0.6443042089139656
Energy: 0.7525068832920949
Energy: 0.8692255770298979
Energy: 0.8306327489338808
Energy: 0.7669594279379278
Energy: 0.6582217966523823
Energy: 0.733997462309102
Energy: 0.6377520672984877
Energy: 0.8678664391325924
Energy: 0.873132937387706
Energy: 0.6599735991212303
Energy: 0.6496840057252539
Energy: 0.6482780567887524
Energy: 0.7509299306516501
Energy: 0.7541026811784718
Energy: 0.8693250600613782
Energy: 0.8654994036207356
Energy: 0.8658984442287759
Energy: 0.7652239809015385
Energy: 0.7401413730864997
Energy: 0.7399703192494248
Energy: 0.7961193834440099
Energy: 0.8221336893094555
Energy: 0.8674035243655015
Energy: 0.8344962995626578
Energy: 0.9258807286634129
Energy: 0.8208168983362647
Energy: 0.7542764881223337
Energy: 0.8628928320493626
Energy: 0.7552048078577046
Energy: 0.7647367771386406
Energy: 0.7513811162265773
Energy: 0.7544480991544505
Energy: 0.7788712404914491
Energy: 0.742311114426715
Energy: 0.7286372114948061
Energy: 0.7695888169088272
Energy: 0.728339991092427
Energy: 0.7236307562081209
Energy: 0.7287228820232647
Energy: 0.6251545408727701
Energy: 0.6271261673931373
Energy: 0.7745987701957538
Energy: 0.7189380231217227
Energy: 0.7249361395591392
Energy: 0.6697592947349952
Energy: 0.6431191396638726
Energy: 0.7281542452148
Energy: 0.773840313824678
Energy: 0.7550736824995332
Energy: 0.7480714474297551
Energy: 0.7660019616597075
Energy: 0.7496540445017501
Energy: 0.7504775001621322
Energy: 0.7736579798169092
Energy: 0.7523475203628225
Energy: 0.7546134859206259
Energy: 0.764739013389288
Energy: 0.8732715025277523
Energy: 0.7538752819721353
Energy: 0.7765815591679819
Energy: 0.6513943687133994
Energy: 0.7535933573171524
Energy: 0.7551235677438526
Energy: 0.868235091626595
Energy: 0.8662900670720202
Energy: 0.9225314916546997
Energy: 0.8671925668999405
Energy: 0.8648111541998607
Energy: 0.8612029760465161
Energy: 0.8642908997575237
Energy: 0.8670716100284938
Energy: 0.8140795254753272
Energy: 0.8181138687903153
Energy: 0.770996847975172
Energy: 0.8148390442191518
Energy: 0.8141453712996124
Energy: 0.8687213806296684
Energy: 0.9811093459507716
Energy: 0.7533772062270587
Energy: 0.7555286850372772
Energy: 0.9154171397146075
Energy: 0.7538167955902665
Energy: 0.7575781232844379
Energy: 0.738785620252663
Energy: 0.7455873493682685
Energy: 0.7433303271363035
Energy: 0.7445047576869617
Energy: 0.7992800383572248
Energy: 0.7527860695214075
Energy: 0.7768466381875077
Energy: 0.7400886942380648
Energy: 0.7259224353441295
Energy: 0.7288677822833898
Energy: 0.7562278106600218
Energy: 0.6276806435011256
Energy: 0.7759269899701445
Energy: 0.7392618873214573
Energy: 0.7257889284391018
Energy: 0.7286233647146989
Energy: 0.743645696095595
Energy: 0.6268591247035944
Energy: 0.739473314662592
Energy: 0.7465746447893453
Energy: 0.7553437483071416
Energy: 0.7442175022840853
Energy: 0.7463708435035645
Energy: 0.7493764526290242
Energy: 0.8083266452382016
Energy: 0.7563889143507315
Energy: 0.7540731887334337
Energy: 0.8065649243651608
Energy: 0.7566513992899341
Energy: 0.7530987504219812
Energy: 0.8764128493063761
Energy: 0.8657568851001991
Energy: 0.770968217710125
Energy: 0.8068211615843686
Energy: 0.7604339485170936
Energy: 0.8669267416652131
Energy: 0.8108052169850445
Energy: 0.864727971058759
Energy: 0.8580000156688996
Energy: 0.7540650671115338
Energy: 0.755602987340968
Energy: 0.8658662610666369
Energy: 0.7685924333856926
Energy: 0.8719525706060844
Energy: 0.8719355670987232
Energy: 0.8188339730681543
Energy: 0.7576498741891002
Energy: 0.6450245384261625
Energy: 0.8731964113441373
Energy: 0.9385817559771297
Energy: 0.9222819051083258
Energy: 0.7526430881019012
Energy: 0.813482201049416
Energy: 0.8119136410609399
Energy: 0.8723368772331846
Energy: 0.8122606534837878
Energy: 0.8113323199184285
Energy: 0.7537490672304479
Energy: 0.8125824912734616
Energy: 0.810983304637078
Energy: 0.7697192963677765
Energy: 0.6370371731004524
Energy: 0.7293201860913263
Energy: 0.6691545213928817
Energy: 0.7203217605216297
Energy: 0.7290650888999626
Energy: 0.7726055798003005
Energy: 0.6246266518614688
Energy: 0.6246002500607711
Energy: 0.7311237814694501
Energy: 0.7215830065791761
Energy: 0.723713221057597
Energy: 0.7732296838873104
Energy: 0.7525891692926974
Energy: 0.7513451455368318
Energy: 0.7287476941492275
Energy: 0.7464303145934196
Energy: 0.7366145010040768
Energy: 0.7735990008955185
Energy: 0.7826371849581627
Energy: 0.767200284127679
Energy: 0.7654067053029806
Energy: 0.7905826238810413
Energy: 0.7549163718821404
Energy: 0.7688674229446554
Energy: 0.8694726945272239
Energy: 0.8609377287927039
Energy: 0.749225066466629
Energy: 0.7369202420574267
Energy: 0.7370780491220127
Energy: 0.7838842687573774
Energy: 0.8592806124927459
Energy: 0.8587809033541625
Energy: 0.7622680032865872
Energy: 0.7333023864138702
Energy: 0.7312944175214792
Energy: 0.6513981168022572
Energy: 0.6438754031989076
Energy: 0.8691681698349799
Energy: 0.87183300572257
Energy: 0.6494291318958268
Energy: 0.6720294513331968
Energy: 0.7822507844358264
Energy: 0.7300197935307263
Energy: 0.8662536846031146
Energy: 0.8076210037679125
Energy: 0.7525120093770175
Energy: 0.6594859754289807
Energy: 0.8585013726393524
Energy: 0.7539530869826905
Energy: 0.7531265422072108
Energy: 0.7836895283933587
Energy: 0.7533026038220256
Energy: 0.7369585369568202
Energy: 0.6444610140036108
Energy: 0.6474522351828086
Energy: 0.6493129294028565
Energy: 0.6441341029213496
Energy: 0.6448061507119902
Energy: 0.6582478574515452
Energy: 0.8923698864827031
Energy: 0.6461832959535316
Energy: 0.6229607694454706
Energy: 0.6243157059277396
Energy: 0.6463635684569621
Energy: 0.7726355919235963

minimum gb energy = 0.6229607694454706 eV
minimum distance =  2.36947702734598 Angstroms
sigma value = 43


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

Energy: 1.2579434547798471
Energy: 0.7228937590139051
Energy: 0.7199998886736011
Energy: 0.6680417099061827
Energy: 0.8011608711832301
Energy: 0.6674163526060845
Energy: 0.6454098887203774
Energy: 0.6573145236038161
Energy: 0.6669840402879461
Energy: 0.7148392622350681
Energy: 0.6503559989475047
Energy: 0.6596872426934163
Energy: 0.6512339093155274
Energy: 0.6415643711688908
Energy: 0.6380154955130702
Energy: 0.6533949877898604
Energy: 0.6411400427079372
Energy: 0.6472938706651511
Energy: 0.6456352057580228
Energy: 0.6398953941996469
Energy: 0.6528180833736299
Energy: 0.6458653751164076
Energy: 0.6446341098848737
Energy: 0.6479063281346527
Energy: 0.6498698725021682
Energy: 0.655103826256374
Energy: 0.6501496665068213
Energy: 0.6498197563201086
Energy: 0.6545581891817183
Energy: 0.6504744550741108
Energy: 0.6515582035843165
Energy: 0.6506780790355134
Energy: 0.6515238747147579
Energy: 0.6557811980020816
Energy: 0.6555614878849358
Energy: 0.652722181171019
Energy: 0.6468923043798981
Energy: 0.6456776094584504
Energy: 0.6454551718121763
Energy: 0.6553906036774816
Energy: 0.6457001614293015
Energy: 0.657594482193157
Energy: 0.7228633252176776
Energy: 0.6511320684654796
Energy: 0.6519676702673611
Energy: 0.6873615852833412
Energy: 0.6543525153310794
Energy: 0.6467161728291684
Energy: 0.6504845717753787
Energy: 0.6470710626397769
Energy: 0.6467169400784593
Energy: 0.6498787457233541
Energy: 0.7132672013540802
Energy: 0.652418171818683
Energy: 0.7787738786751569
Energy: 0.6613494699694389
Energy: 0.6608642407602362
Energy: 0.7143710654073361
Energy: 0.6550731579988852
Energy: 0.6822538551325741
Energy: 0.6832265573311829
Energy: 0.6877198904633179
Energy: 0.6995884689520789
Energy: 0.6536319986120195
Energy: 0.6579322800475562
Energy: 0.6650241784797281
Energy: 0.6638659288089613
Energy: 0.6464969897893387
Energy: 0.6468222723386341
Energy: 0.6527303125600273
Energy: 0.6463109463199298
Energy: 0.6471715347818497
Energy: 0.74813471661917
Energy: 0.6532405407236069
Energy: 0.661956448309461
Energy: 0.6447426100218224
Energy: 0.6733519137173987
Energy: 0.6617553886137669
Energy: 0.6818237753167362
Energy: 0.6545038194617243
Energy: 0.6487242912832271
Energy: 0.6533478904614012
Energy: 0.6478751357106927
Energy: 0.6579047988929199
Energy: 0.682695774909131
Energy: 0.6761287576419723
Energy: 0.6699345132549559
Energy: 0.689750589670506
Energy: 0.6551415002693667
Energy: 0.6679902625682792
Energy: 0.6793471944501775
Energy: 0.6561070712460345
Energy: 0.686546450051368
Energy: 0.6795012131951865
Energy: 0.6536652923924849
Energy: 0.6786745198756466
Energy: 0.6474705728844101
Energy: 0.690395279728532
Energy: 0.6912242994999971
Energy: 0.6478995778032998
Energy: 0.669882874941144
Energy: 0.694535455738698
Energy: 0.6760052121064941
Energy: 0.6966738250433134
Energy: 0.692508672111291
Energy: 0.6841153772141121
Energy: 0.6839926246758453
Energy: 0.6928377218104526
Energy: 0.6581242604111843
Energy: 0.6783065819071272
Energy: 0.6797844279920253
Energy: 0.6646910995237696
Energy: 0.6767001909279472
Energy: 0.6574448952455356
Energy: 0.658708436580129
Energy: 0.6787670340362885
Energy: 0.6881020025082332
Energy: 0.6706086095235662
Energy: 0.678945265617511
Energy: 0.6574253224030725
Energy: 0.6762878244007808
Energy: 0.6841751811583664
Energy: 0.6910215139116984
Energy: 0.6753134929972252
Energy: 0.6690859898930138
Energy: 0.6908869765025353
Energy: 0.7198061844915074
Energy: 0.6648147831130081
Energy: 0.6644926411060901
Energy: 0.7204667759656468
Energy: 0.6570519328218236
Energy: 0.7579333167983948
Energy: 0.6745222729308789
Energy: 0.6736926235165075
Energy: 0.6910926256578945
Energy: 0.6836579292402739
Energy: 0.6736331713107409
Energy: 0.6945278349082143
Energy: 0.7100300272447353
Energy: 0.6893553604176872
Energy: 0.6881907114864505
Energy: 0.6849382414640285
Energy: 0.6479698872809327
Energy: 0.6915678189579313
Energy: 0.6721061038447552
Energy: 0.6782804645073409
Energy: 0.6896163865569466
Energy: 0.684741191921903
Energy: 0.6788814864518125
Energy: 0.6884901146117939
Energy: 0.7179036318379468
Energy: 0.6783417151382595
Energy: 0.6842184432941257
Energy: 0.6757882838148231
Energy: 0.6813319548553031
Energy: 0.6491372432279043
Energy: 0.7178522071561437
Energy: 0.6806378267779446
Energy: 0.6854112420469841
Energy: 0.6475156293618742
Energy: 0.6842782301877155
Energy: 0.6667519906678301
Energy: 0.6761181977568258
Energy: 0.6522505532428259
Energy: 0.6631795047430462
Energy: 0.6463691102811099
Energy: 0.6503521163698164
Energy: 0.6530872455271043
Energy: 0.6479106908179323
Energy: 0.650481813500968
Energy: 0.6565040495153163
Energy: 0.6478582313472038
Energy: 0.6881784080914669
Energy: 0.6562027490607466
Energy: 0.6448040948847085
Energy: 0.652518887984207
Energy: 0.6525313420926062
Energy: 0.7134481853992356
Energy: 0.6538730350521748
Energy: 0.6542963303765961
Energy: 0.6647559566012926
Energy: 0.7002929873238676
Energy: 0.6581866806342576
Energy: 0.6686975157047881
Energy: 0.7228572083265048
Energy: 0.6812211044572605

minimum gb energy = 0.6380154955130702 eV
minimum distance =  2.35566517387648 Angstroms
sigma value = 57


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

Energy: 0.8332456873909845
Energy: 0.7341320506792652
Energy: 0.673228464121033
Energy: 0.6642460747312384
Energy: 0.7340481467687952
Energy: 0.6722613338147415
Energy: 0.6346876366435574
Energy: 0.6907205973403457
Energy: 0.6542301266536481
Energy: 0.7011940287922322
Energy: 0.6995051175260463
Energy: 0.6570660424791613
Energy: 0.6475454388416592
Energy: 0.6191626866772812
Energy: 0.6205436997284679
Energy: 0.6726961746415554
Energy: 0.6187018946985441
Energy: 0.6276996499920985
Energy: 0.6846417666632213
Energy: 0.6183525206139909
Energy: 0.6214154461331458
Energy: 0.6849326524541867
Energy: 0.6179636117843071
Energy: 0.6671216825521155
Energy: 0.6837104262496841
Energy: 0.6369493224825971
Energy: 0.6376846424742502
Energy: 0.6382975135654815
Energy: 0.643620159105157
Energy: 0.6424395924062845
Energy: 0.6302530274347452
Energy: 0.6402245039265413
Energy: 0.6470470510513107
Energy: 0.6424036044256062
Energy: 0.647650100971087
Energy: 0.6409691948934505
Energy: 0.6422750241745022
Energy: 0.6866036617001522
Energy: 0.6672814654704718
Energy: 0.6701327490343927
Energy: 0.6864551957595584
Energy: 0.6650289570633439
Energy: 0.6884063764146677
Energy: 0.6597593850628699
Energy: 0.6442447816665762
Energy: 0.6597679509045373
Energy: 0.67103058733211
Energy: 0.6460903971842691
Energy: 0.636466227435952
Energy: 0.6817107974757945
Energy: 0.677727542757487
Energy: 0.6989710200184162
Energy: 0.6895061521748099
Energy: 0.6585180625373663
Energy: 0.7343535594970533
Energy: 0.690150405781677
Energy: 0.6754466714466826
Energy: 0.721947206874066
Energy: 0.6513148842735453
Energy: 0.6756531656913675
Energy: 0.6401829919139149
Energy: 0.6592207837343413
Energy: 0.6580324173073596
Energy: 0.6379503835824742
Energy: 0.6612188181020726
Energy: 0.6472727628733729
Energy: 0.6179362160080429
Energy: 0.676166307883807
Energy: 0.6879587323670133
Energy: 0.6315161788826685
Energy: 0.7026573785095749
Energy: 0.6643968001165024
Energy: 0.6312968789281171
Energy: 0.6737148352456289
Energy: 0.6554295911236415
Energy: 0.6514411254117284
Energy: 0.6851556706252637
Energy: 0.6558943032390319
Energy: 0.6371139571285881
Energy: 0.6593298888784198
Energy: 0.6566130603863929
Energy: 0.6997000650008518
Energy: 0.7011583158253664
Energy: 0.6511583036141754
Energy: 0.6409670642224071
Energy: 0.6317776183641175
Energy: 0.6542037572442493
Energy: 0.6386314004777842
Energy: 0.6258903794095568
Energy: 0.6539641640243555
Energy: 0.6857587415096126
Energy: 0.6639114040282766
Energy: 0.6644639300254146
Energy: 0.6859219704546188
Energy: 0.6533553605318944
Energy: 0.6641431028654576
Energy: 0.6888374575320977
Energy: 0.6437342242272215
Energy: 0.642279325965009
Energy: 0.6532946856241014
Energy: 0.6435143646200434
Energy: 0.6479673559314302
Energy: 0.688765724176221
Energy: 0.6472859450744439
Energy: 0.6410231413062281
Energy: 0.6462915711200368
Energy: 0.6380180024402774
Energy: 0.6438705413211254
Energy: 0.7048925980623068
Energy: 0.6847991008929735
Energy: 0.6758708163954309
Energy: 0.6526357158094451
Energy: 0.6846872576589083
Energy: 0.6546418310998973
Energy: 0.7053664447937519
Energy: 0.6749513609913307
Energy: 0.6746953058165647
Energy: 0.652876761734503
Energy: 0.6740576864048218
Energy: 0.6624475757710427
Energy: 0.6370346968675445
Energy: 0.6803445714076861
Energy: 0.6554444694898096
Energy: 0.6378755666702715
Energy: 0.6922662658247396
Energy: 0.656702914239883
Energy: 0.786528764927088
Energy: 0.6710515776946293
Energy: 0.6481325299528679
Energy: 0.7871433868315832
Energy: 0.688929079833741
Energy: 0.6484722489335237
Energy: 0.6414388566699369
Energy: 0.6818532007107312
Energy: 0.6555686812282956
Energy: 0.6361946641296483
Energy: 0.7012487378758069
Energy: 0.6590017127056487
Energy: 0.6312412227157843
Energy: 0.6739233703382325
Energy: 0.6548166675470408
Energy: 0.6233191086034399
Energy: 0.6850407020664742
Energy: 0.6553685348336571

minimum gb energy = 0.6179362160080429 eV
minimum distance =  2.35781707128563 Angstroms
sigma value = 17


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

Energy: 0.6272166605604577
Energy: 0.7010694964837296
Energy: 0.801312216977687
Energy: 0.6582426347109537
Energy: 0.6737648918073982
Energy: 0.6585566886644327
Energy: 0.8097707265292525
Energy: 0.7151036715524556
Energy: 0.6380552563315289
Energy: 0.7281852441025591
Energy: 0.7175128086283602
Energy: 0.6396796418697379
Energy: 0.6967924668818795
Energy: 0.608319308469112
Energy: 0.60868133810433
Energy: 0.6982414128256313
Energy: 0.6103470352329025
Energy: 0.621069981277159
Energy: 0.7073012570587753
Energy: 0.608291845842945
Energy: 0.6343464105795471
Energy: 0.7073290162614659
Energy: 0.6316190117757309
Energy: 0.657946182138155
Energy: 0.6474071443940543
Energy: 0.5969049928008751
Energy: 0.5963075602460643
Energy: 0.6482561964958184
Energy: 0.6098370435672501
Energy: 0.5893972655573279
Energy: 0.6350880134626933
Energy: 0.613244970631926
Energy: 0.6006179753467454
Energy: 0.5863944543644859
Energy: 0.6433057119061272
Energy: 0.585455946077117
Energy: 0.6473547848534581
Energy: 0.6391932952375737
Energy: 0.6400391750207444
Energy: 0.6266515294688477
Energy: 0.6426429224291891
Energy: 0.6091660660995493
Energy: 0.6116816216928822
Energy: 0.5811964143672758
Energy: 0.5796564176254297
Energy: 0.5794328670969581
Energy: 0.5811898340159616
Energy: 0.5768746554431566
Energy: 0.6409044659968699
Energy: 0.5793235692098477
Energy: 0.5797217715048422
Energy: 0.6422980541647364
Energy: 0.5764052493537262
Energy: 0.6101260284451518
Energy: 0.6431983236310046
Energy: 0.6058269754094421
Energy: 0.5996750215803743
Energy: 0.6431579082249789
Energy: 0.5942205599864979
Energy: 0.6005415479563029
Energy: 0.5896918765659446
Energy: 0.5893395119671928
Energy: 0.5892895248828971
Energy: 0.6247810437749283
Energy: 0.7291770872774441
Energy: 0.6034830347425513
Energy: 0.64860757664603
Energy: 0.7282017938268808
Energy: 0.7079182948869935
Energy: 0.6150408080337005
Energy: 0.7282199933963377
Energy: 0.7080120281023181
Energy: 0.6286642885153817
Energy: 0.6894413302969056
Energy: 0.6893999906964455
Energy: 0.5981607533789028
Energy: 0.6895126783715155
Energy: 0.6898900073747352
Energy: 0.7270079963882307
Energy: 0.7163454724706089
Energy: 0.6252317532546727
Energy: 0.7197693400529254
Energy: 0.7206901254777048
Energy: 0.633274185033757
Energy: 0.7302140021950975
Energy: 0.6989324246205816
Energy: 0.6997627707112257
Energy: 0.6995002496618262
Energy: 0.6990449344577724
Energy: 0.7026921348953308
Energy: 0.6813251211715498
Energy: 0.7192350361673113
Energy: 0.6340108910057761
Energy: 0.7171747068947888
Energy: 0.7191732831950953
Energy: 0.715506482118174
Energy: 0.6207257106748009
Energy: 0.6897638924626941
Energy: 0.7424919736328279
Energy: 0.6354570546973493
Energy: 0.689633852509311
Energy: 0.7427724529398623

minimum gb energy = 0.5764052493537262 eV
minimum distance =  2.3356736299095 Angstroms
sigma value = 17


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

Energy: 1.178359247089566
Energy: 0.8605277635741905
Energy: 0.6323335065659136
Energy: 0.5926321364391898
Energy: 0.8750047432785841
Energy: 0.6310720692495083
Energy: 0.7734381442245675
Energy: 0.6838542347928898
Energy: 0.5584377163738642
Energy: 0.6748749071422273
Energy: 0.6903277499553739
Energy: 0.6347300823997383
Energy: 0.850908514368084
Energy: 0.5428936470188558
Energy: 0.5755466679645821
Energy: 0.7180520168252184
Energy: 0.5428129468782131
Energy: 0.5760591519920784
Energy: 0.7142402324285917
Energy: 0.6169963435375994
Energy: 0.5823499563116372
Energy: 0.7152038245257388
Energy: 0.5410399771794948
Energy: 0.6201185205511094
Energy: 0.6269064038655028
Energy: 0.5642426694760897
Energy: 0.5671331822304274
Energy: 0.6276015208014364
Energy: 0.5704338487372895
Energy: 0.5584291377913342
Energy: 0.6195311802332898
Energy: 0.5669138637493141
Energy: 0.537563229423574
Energy: 0.5394575981522239
Energy: 0.6176280816426574
Energy: 0.5381042630971812
Energy: 0.5798749704489027
Energy: 0.6174778713678608
Energy: 0.617351142086968
Energy: 0.5317382462806611
Energy: 0.6211446274492011
Energy: 0.5347464239243457
Energy: 0.5827798367768192
Energy: 0.5257714950091028
Energy: 0.5306847147280735
Energy: 0.5346315440078
Energy: 0.5263515740019615
Energy: 0.5303195186854428
Energy: 0.5803932831469671
Energy: 0.534033033903731
Energy: 0.5367124503990522
Energy: 0.5815474509175681
Energy: 0.560910093510931
Energy: 0.5799800047573188
Energy: 0.5798421905246743
Energy: 0.5329344938520872
Energy: 0.5334360102427639
Energy: 0.5799781758926799
Energy: 0.5326650557718001
Energy: 0.533363832659299
Energy: 0.5950335138400749
Energy: 0.5299301407922232
Energy: 0.5316329858315806
Energy: 0.5312060011378412
Energy: 0.5798138719986553
Energy: 0.5320718236565765
Energy: 0.582810584719716
Energy: 0.5803234767686122
Energy: 0.580063980430069
Energy: 0.5841337861065664
Energy: 0.5841487214629082
Energy: 0.5389384250802991
Energy: 0.5964118750878895
Energy: 0.5299529384753797
Energy: 0.5302441225336609
Energy: 0.5318771687017191
Energy: 0.5471660351885842
Energy: 0.530825159715094
Energy: 0.6185515852845429
Energy: 0.5353168581009251
Energy: 0.5347166183864872
Energy: 0.6188128253013317
Energy: 0.5383879950906901
Energy: 0.6175558042468301
Energy: 0.6177952447207303
Energy: 0.5494390855313058
Energy: 0.5408776901620177
Energy: 0.617753817351403
Energy: 0.5339557580840539
Energy: 0.5629382166448974
Energy: 0.7161569083676413
Energy: 0.5987126339294495
Energy: 0.5583764630804157
Energy: 0.5985500593338182
Energy: 0.611791434342749
Energy: 0.5653379130302888
Energy: 0.5807731759293999
Energy: 0.712245707225543
Energy: 0.7122288987452969
Energy: 0.562405388500575
Energy: 0.7178951584842486
Energy: 0.5589153604259808
Energy: 0.5812204056459003
Energy: 0.6852966785674569
Energy: 0.65392470767797
Energy: 0.6120609998884012
Energy: 0.6870633153625263
Energy: 0.5590759943675289
Energy: 0.7912121822637734
Energy: 0.6476346766500353
Energy: 0.6259149344285713
Energy: 0.7121694200217131
Energy: 0.610693008044275
Energy: 0.5674075917458076
Energy: 0.8591627076868351
Energy: 0.5942604822035324
Energy: 0.5817679895940188
Energy: 0.6511983962254394
Energy: 0.5724594223203459
Energy: 0.6692958561835377
Energy: 0.8447375883814616
Energy: 0.6438472711725692
Energy: 0.5603332961563628
Energy: 0.714043089144896
Energy: 0.6468100433548064
Energy: 0.6807528502242567
Energy: 0.5889055859961877
Energy: 0.6893171184897884
Energy: 0.7771813845655647
Energy: 0.5765048496617141
Energy: 0.6950531829828952
Energy: 0.5926338678934497
Energy: 0.5910830299730542
Energy: 0.6858797302136332
Energy: 0.687193116045766
Energy: 0.5714032811353262
Energy: 0.693293510653668
Energy: 0.6229241173526388
Energy: 0.843312055746529
Energy: 0.5711699549307916
Energy: 0.5616144720116736
Energy: 0.7128047764051362
Energy: 0.5379276252773589
Energy: 0.6387579427578842
Energy: 0.711677902195183
Energy: 0.5443003453466351
Energy: 0.5764504480165271
Energy: 0.71209518021515
Energy: 0.5445287821176423
Energy: 0.5765156276250168
Energy: 0.6283097661509528
Energy: 0.5620465984124242
Energy: 0.5638123416550304
Energy: 0.6137453120428966
Energy: 0.5681566786487711
Energy: 0.598431041420922
Energy: 0.5704768234670865
Energy: 0.5769405143243551
Energy: 0.5809161332205253
Energy: 0.5398598735923986
Energy: 0.5705039098741755
Energy: 0.538874717074723
Energy: 0.5768360209885226
Energy: 0.6179591176029055
Energy: 0.6176346929178629
Energy: 0.5709594028553496
Energy: 0.6197477059712241
Energy: 0.617627493759072
Energy: 0.5931779208932434
Energy: 0.5337443082812308
Energy: 0.5367848853268509
Energy: 0.5365360380332704
Energy: 0.6184724785676062
Energy: 0.5373813181314872
Energy: 0.5794641759955451
Energy: 0.5257113586141205
Energy: 0.5317486440995426
Energy: 0.579685041322029
Energy: 0.5288681001481612
Energy: 0.5307238492978349
Energy: 0.5845581265905343
Energy: 0.5280012332520734
Energy: 0.5296197735923777
Energy: 0.5855944129371836
Energy: 0.527737981628737
Energy: 0.5302299788732922
Energy: 0.5880358919704479
Energy: 0.5284729972646638
Energy: 0.5288048363757454
Energy: 0.547951690908209
Energy: 0.5297267432824406
Energy: 0.5288410076027283
Energy: 0.5884782819841227
Energy: 0.5851361006288212
Energy: 0.5801171112131399
Energy: 0.5894928134774601
Energy: 0.5810413269584627
Energy: 0.5801038037211033
Energy: 0.5953959455958392
Energy: 0.5408071456127017
Energy: 0.5353522364845635
Energy: 0.533398821648588
Energy: 0.5384737046533813
Energy: 0.5357483831977045
Energy: 0.625169950674625
Energy: 0.5351465270998733
Energy: 0.5350690674408066
Energy: 0.6256188317467469
Energy: 0.5331406325229967
Energy: 0.5346081976319477
Energy: 0.624982223328746
Energy: 0.5350062955019502
Energy: 0.5568357167816183
Energy: 0.625701302420763
Energy: 0.5354951411614147
Energy: 0.5996874369798683
Energy: 0.7962383931928734
Energy: 0.5589149577617418
Energy: 0.5588625993025821
Energy: 0.6000183231307312
Energy: 0.6109771641608313
Energy: 0.556624248018003
Energy: 0.5860626136222205
Energy: 0.7165016844543258
Energy: 0.6920503424650299
Energy: 0.5842561567376242
Energy: 0.7136320763958817
Energy: 0.5991178786157995
Energy: 0.5798734683008678
Energy: 0.6617226544562015
Energy: 0.5852701225164977
Energy: 0.5602358672256167
Energy: 0.6657702950169322
Energy: 0.5815165558016919
Energy: 0.6179421191823345
Energy: 0.6508127665798136
Energy: 0.6469057223898352
Energy: 0.6287294762316624
Energy: 0.6848178152834427
Energy: 0.5859450172262668
Energy: 0.7962350129370087
Energy: 0.5707476531789055
Energy: 0.6584639199033056
Energy: 0.6943707447933564
Energy: 0.5632919462687481
Energy: 0.6643593405123377
Energy: 0.851532254391175
Energy: 0.6267619524045293
Energy: 0.5587225641121708
Energy: 0.7130252250472958
Energy: 0.5872030757654585
Energy: 0.6388985884172576
Energy: 0.5921373109430549
Energy: 0.6855113961781897
Energy: 0.6410589634381307
Energy: 0.5716935020218947
Energy: 0.6924981112216494
Energy: 0.6292594496218927

minimum gb energy = 0.5257113586141205 eV
minimum distance =  2.36776990642015 Angstroms
sigma value = 57


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

Energy: 0.5381638520261911
Energy: 0.7724009934346824
Energy: 0.5889498776062021
Energy: 0.5135267173362135
Energy: 0.8780925892611458
Energy: 0.5947389735301916
Energy: 0.761846016637708
Energy: 0.52996728748847
Energy: 0.5317916076299604
Energy: 0.6529782405163892
Energy: 0.6523703561227144
Energy: 0.6038130146957076
Energy: 0.8020537960168188
Energy: 0.5086887241064889
Energy: 0.5079840735139601
Energy: 0.6904610529951684
Energy: 0.5078504442818014
Energy: 0.5488693476803899
Energy: 0.6859849964773569
Energy: 0.5079194796536819
Energy: 0.5420967174861124
Energy: 0.6867175055457995
Energy: 0.5156929784695362
Energy: 0.5952550448073639
Energy: 0.5916849970789858
Energy: 0.5305260619435427
Energy: 0.5323214225746209
Energy: 0.5921419175376671
Energy: 0.5373259691907314
Energy: 0.5261627123085819
Energy: 0.5268549266180043
Energy: 0.5285914989629998
Energy: 0.5055338810701349
Energy: 0.4928342555717169
Energy: 0.5972356811603372
Energy: 0.5064294870442877
Energy: 0.5516898064942299
Energy: 0.6036674651564953
Energy: 0.5976244157402871
Energy: 0.4999684497920621
Energy: 0.602323464694049
Energy: 0.49849778698721436
Energy: 0.7242592471516477
Energy: 0.4882841529070457
Energy: 0.48815617986755727
Energy: 0.49938929740332927
Energy: 0.48851351910524216
Energy: 0.49640417727882213
Energy: 0.5540944705782898
Energy: 0.5352995152384655
Energy: 0.5056167562903092
Energy: 0.555743543125404
Energy: 0.5578153879700034
Energy: 0.5520806693926761
Energy: 0.5515079406545089
Energy: 0.4868170710351307
Energy: 0.48677786718207355
Energy: 0.551526993255991
Energy: 0.48692373482061463
Energy: 0.48729403738564564
Energy: 0.5367866240515372
Energy: 0.5318750554967089
Energy: 0.4838324811469078
Energy: 0.4835206521602505
Energy: 0.5429126713220281
Energy: 0.48451729523585196
Energy: 0.5556671765199228
Energy: 0.5385820713015085
Energy: 0.5437894600803399
Energy: 0.5179989966883313
Energy: 0.5356829488867789
Energy: 0.4891909140605657
Energy: 0.5312394881868151
Energy: 0.557640759469465
Energy: 0.4937156015494406
Energy: 0.4912244400598863
Energy: 0.49726921821900166
Energy: 0.4931315472329713
Energy: 0.5324436387227867
Energy: 0.4874245400780444
Energy: 0.5133431250034757
Energy: 0.5336018813362241
Energy: 0.5245769776813937
Energy: 0.5429710881018962
Energy: 0.5312584455030168
Energy: 0.484795221512077
Energy: 0.4842682589908149
Energy: 0.5315074537629043
Energy: 0.48865885730445746
Energy: 0.4837896340764729
Energy: 0.5647046060313817
Energy: 0.5518639827355857
Energy: 0.4911980028624096
Energy: 0.4923974406030434
Energy: 0.5615065807173929
Energy: 0.49173319041685976
Energy: 0.5332082836524543
Energy: 0.5614862813475979
Energy: 0.5526806941249716
Energy: 0.4922196860367823
Energy: 0.5578133762572836
Energy: 0.49637845668929825
Energy: 0.5342421490625414
Energy: 0.4971549835040609
Energy: 0.49740064248801735
Energy: 0.5354919641497718
Energy: 0.4977657031925119
Energy: 0.4971242677737459
Energy: 0.5978385920386333
Energy: 0.500491214248067
Energy: 0.548909831459082
Energy: 0.5992139066382508
Energy: 0.5070213530426594
Energy: 0.5974624504913035
Energy: 0.6783662360012157
Energy: 0.5152420734664394
Energy: 0.5151727130390868
Energy: 0.5354052865744552
Energy: 0.5122802139603359
Energy: 0.530184632109211
Energy: 0.7546933910779479
Energy: 0.5715967115201317
Energy: 0.52913852497375
Energy: 0.57349289961845
Energy: 0.5711530863930884
Energy: 0.5296358107901278
Energy: 0.5320877242758193
Energy: 0.6935533134138944
Energy: 0.5247921538383753
Energy: 0.4998276976810324
Energy: 0.6928468168893361
Energy: 0.5306294867255618
Energy: 0.5555579305244546
Energy: 0.621460501895682
Energy: 0.6036205759588941
Energy: 0.5342637967528978
Energy: 0.6192755791471011
Energy: 0.5910968127797009
Energy: 0.7487201672838637
Energy: 0.5734400670229154
Energy: 0.5259442383898252
Energy: 0.5751041954875689
Energy: 0.5841287408696103
Energy: 0.5332278813742009
Energy: 0.8066876135943262
Energy: 0.5268417160531158
Energy: 0.5293565248598474
Energy: 0.6164297868829802
Energy: 0.5313921775952216
Energy: 0.6159621557050554
Energy: 0.796980742584774
Energy: 0.594447456827862
Energy: 0.5973060492600929
Energy: 0.6496311252141251
Energy: 0.5983580836499247
Energy: 0.5589913654010836
Energy: 0.5365227016513303
Energy: 0.6165308621101371
Energy: 0.5676117513414911
Energy: 0.5115921203243675
Energy: 0.6144100698919626
Energy: 0.5412004697502184

minimum gb energy = 0.4835206521602505 eV
minimum distance =  2.36903824957941 Angstroms
sigma value = 43


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

Energy: 0.4591646026271646
Energy: 0.5754365843844276
Energy: 0.5205301597271489
Energy: 0.4398629642254074
Energy: 0.6170177577546564
Energy: 0.4962207922661253
Energy: 0.6375593564499524
Energy: 0.4434143493612324
Energy: 0.43566362927311547
Energy: 0.4956718285807391
Energy: 0.44028804918911435
Energy: 0.43688575497057797
Energy: 0.6845869778054762
Energy: 0.42398129906026905
Energy: 0.4355044733971278
Energy: 0.48999443086503836
Energy: 0.42316701754373764
Energy: 0.435562176865088
Energy: 0.5959574342012165
Energy: 0.43593159887090027
Energy: 0.4359567018199618
Energy: 0.49401110902464307
Energy: 0.4519894638618651
Energy: 0.46719183183055735
Energy: 0.5288547774934728
Energy: 0.4423048464989552
Energy: 0.4353892770088387
Energy: 0.4861377335674677
Energy: 0.4440597675911651
Energy: 0.43584954451820734
Energy: 0.444657864764359
Energy: 0.44011300560175237
Energy: 0.42496836229470697
Energy: 0.4093595741152949
Energy: 0.5274195096232571
Energy: 0.44720764648275385
Energy: 0.6263234448827624
Energy: 0.5279441288020894
Energy: 0.5278625764829018
Energy: 0.41458942387306025
Energy: 0.5278227374971034
Energy: 0.4152477378161344
Energy: 0.6249625491118314
Energy: 0.4060412807132609
Energy: 0.40909550031471364
Energy: 0.4126502769992258
Energy: 0.4061012028602502
Energy: 0.40837059010038845
Energy: 0.48977522312021254
Energy: 0.41041024912571145
Energy: 0.41414821714088484
Energy: 0.49113915713406453
Energy: 0.43203475084776394
Energy: 0.48766662671289557
Energy: 0.48861073639097957
Energy: 0.4063954744793518
Energy: 0.40568010892139234
Energy: 0.48820579177951556
Energy: 0.4056205969183657
Energy: 0.4052501444664507
Energy: 0.44071882589264366
Energy: 0.46327849227052786
Energy: 0.40119714115470306
Energy: 0.3982727148985156
Energy: 0.4633942892375709
Energy: 0.39890906181565555
Energy: 0.49236089722175524
Energy: 0.4633055564982395
Energy: 0.46312293046846387
Energy: 0.4026500750249474
Energy: 0.4633886666436618
Energy: 0.40203530960316797
Energy: 0.6007061403120013
Energy: 0.44892179844845603
Energy: 0.4542120677054033
Energy: 0.453259620272878
Energy: 0.42374752501287605
Energy: 0.45370046076785747
Energy: 0.4488380456026491
Energy: 0.3992721059515061
Energy: 0.4535304220505372
Energy: 0.4503027213348071
Energy: 0.44240737536004576
Energy: 0.44891805822773423
Energy: 0.4488865707823988
Energy: 0.39789276365396287
Energy: 0.39833062274026004
Energy: 0.4489823092828389
Energy: 0.3970874970022819
Energy: 0.3976797460716823
Energy: 0.4448551823765667
Energy: 0.4424613718300938
Energy: 0.3937231263123326
Energy: 0.3942882367769003
Energy: 0.4422953597157412
Energy: 0.3933333682284237
Energy: 0.4520079641070434
Energy: 0.44234848190435055
Energy: 0.4429087162470031
Energy: 0.3972539121632321
Energy: 0.4423725585344136
Energy: 0.39706487740462043
Energy: 0.4426622473865662
Energy: 0.40082784444365244
Energy: 0.39820684625941305
Energy: 0.44269392506400657
Energy: 0.44488551110028224
Energy: 0.3978907182688363
Energy: 0.44278772830300556
Energy: 0.43237415401103024
Energy: 0.44247071509156305
Energy: 0.44319045835227233
Energy: 0.5248130880445816
Energy: 0.4424984442400301
Energy: 0.44245432201551765
Energy: 0.4051499060262736
Energy: 0.40309166120140755
Energy: 0.44263881385705806
Energy: 0.4447618820204178
Energy: 0.4036326412672749
Energy: 0.4661187294801159
Energy: 0.4489817685953864
Energy: 0.4494348948394048
Energy: 0.4063638047216734
Energy: 0.44909041747159356
Energy: 0.4026492115132449
Energy: 0.44617812708751137
Energy: 0.44916830217556286
Energy: 0.3951191953894328
Energy: 0.3973292408479532
Energy: 0.4491229312344602
Energy: 0.39520405042536116
Energy: 0.4631223134705861
Energy: 0.3962482490877145
Energy: 0.3998514021528656
Energy: 0.4633233293007932
Energy: 0.3967428670659145
Energy: 0.3996685888016139
Energy: 0.46337390521409555
Energy: 0.4063981804625582
Energy: 0.4678486224878915
Energy: 0.46489534880528044
Energy: 0.42667924872491386
Energy: 0.4631335193383663
Energy: 0.6104122171810621
Energy: 0.43062065143592687
Energy: 0.43361561103743484
Energy: 0.46709429054271345
Energy: 0.42956118449911956
Energy: 0.4349310398914382
Energy: 0.5621973386027632
Energy: 0.48796292180478484
Energy: 0.48768515236277626
Energy: 0.4043708941534861
Energy: 0.4879797122489132
Energy: 0.4020048789207715
Energy: 0.4429224183764462
Energy: 0.48771027238393433
Energy: 0.4136100712343099
Energy: 0.4066477473424892
Energy: 0.4875309136241406
Energy: 0.40719941831009004
Energy: 0.5028179493243166
Energy: 0.414183126038202
Energy: 0.4137507051892627
Energy: 0.4812968976091471
Energy: 0.4137585784463902
Energy: 0.41406117436319934
Energy: 0.530199033990659
Energy: 0.42158696679852703
Energy: 0.4414962546552256
Energy: 0.531572563869429
Energy: 0.40778446782734434
Energy: 0.4870713572071096
Energy: 0.6452935891857334
Energy: 0.41517050186575416
Energy: 0.4216390279772958
Energy: 0.4386322209528685
Energy: 0.41489992237669476
Energy: 0.4209425114405162
Energy: 0.6447437003938512
Energy: 0.4919309545982202
Energy: 0.48999872381883347
Energy: 0.4471952396934146
Energy: 0.491871900499235
Energy: 0.44105643323024274
Energy: 0.4508507750330567
Energy: 0.49995432294969927
Energy: 0.44482615534058395
Energy: 0.4219582674305376
Energy: 0.5502535832878395
Energy: 0.4466317881822939
Energy: 0.5922087954795048
Energy: 0.4981486842837523
Energy: 0.47772551890035014
Energy: 0.4989003662732183
Energy: 0.49740696197180995
Energy: 0.4791389714211089
Energy: 0.645680291914559
Energy: 0.45368130062653184
Energy: 0.4554016988824162
Energy: 0.493881867891238
Energy: 0.49933010029136465
Energy: 0.5007503585884702
Energy: 0.6854518961394219
Energy: 0.43896066102781933
Energy: 0.45593945476467224
Energy: 0.5423434935951963
Energy: 0.4379604828085484
Energy: 0.501241247869867
Energy: 0.654598000810205
Energy: 0.49696568306952016
Energy: 0.47787684403816516
Energy: 0.4956836193209765
Energy: 0.49662716099681387
Energy: 0.4320112473134371

minimum gb energy = 0.3933333682284237 eV
minimum distance =  2.38623422463973 Angstroms
sigma value = 81


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

Energy: 0.014683940348058673
Energy: 0.01643389446968121
Energy: 0.015236638424741135
Energy: 0.01687441905401698
Energy: 0.015620550265631463
Energy: 0.015330495215245944
Energy: 0.04741779701728706
Energy: 0.015419771766176201
Energy: 0.015744108852007995
Energy: 0.04646334369710423
Energy: 0.01833025302577224
Energy: 0.015556643160793185
Energy: 0.0460877565818958
Energy: 0.015432144578687615
Energy: 0.015379509746961851
Energy: 0.045703176108107216
Energy: 0.015303742767023369
Energy: 0.046370609463398986
Energy: 0.016862789012731156
Energy: 0.01546698812823986
Energy: 0.015514215438152398
Energy: 0.01927040108562536
Energy: 0.015345690497119955
Energy: 0.0468399272540881
Energy: 0.0463095336627288
Energy: 0.04587393305807921
Energy: 0.0459709611038985
Energy: 0.04708778913109851
Energy: 0.04583192373279454
Energy: 0.046824168938792717
Energy: 0.015832217077065936
Energy: 0.015770505069569896
Energy: 0.015379102717808556
Energy: 0.01709507936981366
Energy: 0.015486853792856055
Energy: 0.01523971451259439
Energy: 0.046393883999185745
Energy: 0.015420600140493663
Energy: 0.015599070965883142
Energy: 0.046147198980791414
Energy: 0.015452031606829645
Energy: 0.015543155102622126
Energy: 0.0458101691274826
Energy: 0.015320698832210924
Energy: 0.015479658477732118
Energy: 0.045902947041847816
Energy: 0.015180809661013215
Energy: 0.0476009773572413
Energy: 0.0163284906089198
Energy: 0.015495274413091798
Energy: 0.04831235860255984
Energy: 0.01747996534608798
Energy: 0.015376547342627655
Energy: 0.048167323556611845
Energy: 0.015936682614854546
Energy: 0.04571189892352837
Energy: 0.045685456732823336
Energy: 0.01592526785382794
Energy: 0.04567370391587842
Energy: 0.04584149096848571

minimum gb energy = 0.014683940348058673 eV
minimum distance =  2.51469669369137 Angstroms
sigma value = 3


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

Energy: 0.5134743695187886
Energy: 0.49970932299828924
Energy: 0.5017632612434304
Energy: 0.47365950866798184
Energy: 0.4994399314856333
Energy: 0.4779885488517711
Energy: 0.5223166813175378
Energy: 0.5060744391430666
Energy: 0.5076412718249175
Energy: 0.5066738673145843
Energy: 0.5082813334537063
Energy: 0.5088418606875695
Energy: 0.5274256246748251
Energy: 0.484393801820746
Energy: 0.48429818735944047
Energy: 0.5075709273542482
Energy: 0.48561887607979454
Energy: 0.4970218040445997
Energy: 0.495886918521295
Energy: 0.48538341687997344
Energy: 0.4849638122775227
Energy: 0.49566113232364545
Energy: 0.44288660638908844
Energy: 0.4944239686132664
Energy: 0.45347533480954944
Energy: 0.5098809883008917
Energy: 0.5088730104778472
Energy: 0.4538692985224436
Energy: 0.5081457955514167
Energy: 0.509324129729104
Energy: 0.48407363389288494
Energy: 0.5069116006254171
Energy: 0.4974514006997735
Energy: 0.41867821799868815
Energy: 0.5066866983948757
Energy: 0.4730876663915475
Energy: 0.4970230388368701
Energy: 0.46616390028823573
Energy: 0.5099244834185045
Energy: 0.4935342929798845
Energy: 0.46918665543842686
Energy: 0.5086640610223554
Energy: 0.49515226755366065
Energy: 0.4833807210723981
Energy: 0.48410453423784605
Energy: 0.49513177886597537
Energy: 0.4614910853836473
Energy: 0.46664872478487535
Energy: 0.5423576871436262
Energy: 0.4848733637101256
Energy: 0.5015011257487645
Energy: 0.5073152697913713
Energy: 0.42710980932657433
Energy: 0.502314417439022
Energy: 0.4690914965134746
Energy: 0.46302481968475956
Energy: 0.46226330180299874
Energy: 0.46936710223598904
Energy: 0.46779525886728335
Energy: 0.47531060689471594
Energy: 0.48777744892855174
Energy: 0.49163241469091495
Energy: 0.4930577416535293
Energy: 0.4137714270959967
Energy: 0.4960413870822398
Energy: 0.47063732064633723
Energy: 0.4341756948913221
Energy: 0.4975452765457225
Energy: 0.4988820752055053
Energy: 0.43399396092198483
Energy: 0.4976201152589513
Energy: 0.43308227521920306
Energy: 0.4350570808545698
Energy: 0.4609136096980384
Energy: 0.47721630714917473
Energy: 0.4351736965395124
Energy: 0.3999184745756216
Energy: 0.45610307798842015
Energy: 0.4898649319429335
Energy: 0.4446219205873513
Energy: 0.47740559031331525
Energy: 0.4379749580734238
Energy: 0.44645363133854316
Energy: 0.47944325933895543
Energy: 0.4859597538713078
Energy: 0.413844385906821
Energy: 0.41345143171589377
Energy: 0.4836322071569879
Energy: 0.4183498737849743
Energy: 0.41305508243342215
Energy: 0.4829558922900143
Energy: 0.4690605578148698
Energy: 0.46864820766729176
Energy: 0.465915785947513
Energy: 0.48068759949206064
Energy: 0.4689230868709558
Energy: 0.40286301448152756
Energy: 0.4687202058197336
Energy: 0.46751895635656365
Energy: 0.4028691199949412
Energy: 0.47035316494891233
Energy: 0.40259088157774964
Energy: 0.40333754175781206
Energy: 0.4631193475893187
Energy: 0.46390847568081744
Energy: 0.4034485343492163
Energy: 0.4067009203947456
Energy: 0.46425108293722
Energy: 0.4761267537140764
Energy: 0.43287270226265656
Energy: 0.46217073335268755
Energy: 0.40702074520446224
Energy: 0.43093334057249355
Energy: 0.46296870843201277
Energy: 0.48065005509207986
Energy: 0.40264652962966313
Energy: 0.402596021095045
Energy: 0.48202545592680646
Energy: 0.4096182294940201
Energy: 0.40231594496695544
Energy: 0.4802799685734422
Energy: 0.46530212422906486
Energy: 0.46921274055385387
Energy: 0.47994928423354966
Energy: 0.48382195893179186
Energy: 0.46771644192733214
Energy: 0.4170853362445913
Energy: 0.46546373858772366
Energy: 0.46648240876485414
Energy: 0.41483583477454355
Energy: 0.46697742306390927
Energy: 0.413573946717382
Energy: 0.4134088230243427
Energy: 0.4791151082756934
Energy: 0.47672983132432517
Energy: 0.4133793888279896
Energy: 0.4361463710291749
Energy: 0.4769888992776613
Energy: 0.4856571748308137
Energy: 0.43464442714083446
Energy: 0.46060074104874155
Energy: 0.4456193304190103
Energy: 0.4339283219452357
Energy: 0.46746487773635276
Energy: 0.5049978859711557
Energy: 0.4339430165775752
Energy: 0.4335460180416167
Energy: 0.5027294205039912
Energy: 0.4405785835888816
Energy: 0.43328070079388153
Energy: 0.5000249246167618
Energy: 0.4799368276446425
Energy: 0.4804706662955178
Energy: 0.5007563031451903
Energy: 0.4601016047954199
Energy: 0.4930437576514146
Energy: 0.46598684256710443
Energy: 0.4797191610289828
Energy: 0.4804031711436302
Energy: 0.46569267830412536
Energy: 0.4997073184110216
Energy: 0.47657162529983865
Energy: 0.44237266275474363
Energy: 0.5120731616208897
Energy: 0.5108392138516972
Energy: 0.4423467819777227
Energy: 0.5278677658633104
Energy: 0.5095283203123149
Energy: 0.4888257520491903
Energy: 0.49586056133633455
Energy: 0.48804291417714407
Energy: 0.4162049855065063
Energy: 0.4959759871123492
Energy: 0.47265456872157985
Energy: 0.46469350026055656
Energy: 0.5000526817588514
Energy: 0.500731957947241
Energy: 0.4644281276958618
Energy: 0.49688138741958704
Energy: 0.5022367192975371
Energy: 0.49640608980719503
Energy: 0.48589260390966865
Energy: 0.4867210869731265
Energy: 0.49653068446924875
Energy: 0.4457887384896383
Energy: 0.4869814910263867
Energy: 0.5229922173560014
Energy: 0.4884481954713824
Energy: 0.5143654198403074
Energy: 0.5058820892506305
Energy: 0.4558834514558527
Energy: 0.5093838443126399
Energy: 0.4624896865402785
Energy: 0.49543475077934074
Energy: 0.5004994858421944
Energy: 0.4624452690013391
Energy: 0.5017216335623002
Energy: 0.4829683446727399

minimum gb energy = 0.3999184745756216 eV
minimum distance =  2.34571216752174 Angstroms
sigma value = 67


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

Energy: 0.6268439606406312
Energy: 0.614810650947998
Energy: 0.6194024924001201
Energy: 0.5386000184587534
Energy: 0.6148292257757942
Energy: 0.6192734545842622
Energy: 0.6460298451353157
Energy: 0.6231934040559524
Energy: 0.6219651356931488
Energy: 0.6221734885500428
Energy: 0.6213130590704545
Energy: 0.6168078488231801
Energy: 0.6426202133304607
Energy: 0.5980079187095233
Energy: 0.6011767213723459
Energy: 0.6186851324616225
Energy: 0.5983729445778151
Energy: 0.5999326384206892
Energy: 0.6023446631995123
Energy: 0.6101910662238692
Energy: 0.6047881208957857
Energy: 0.6034173764531602
Energy: 0.6055277168826189
Energy: 0.6018540780781334
Energy: 0.5930876650200242
Energy: 0.6215206680339782
Energy: 0.6192023245188758
Energy: 0.5930942365134182
Energy: 0.6211881011581386
Energy: 0.6179358359516787
Energy: 0.5937960947076625
Energy: 0.6084014359391453
Energy: 0.6055466151355983
Energy: 0.5566312521442468
Energy: 0.6081836966091093
Energy: 0.6051763167247907
Energy: 0.6075498118093654
Energy: 0.6068462305175264
Energy: 0.6112073807244524
Energy: 0.6069828035734878
Energy: 0.6051871064828278
Energy: 0.6000021730574246
Energy: 0.596871690182216
Energy: 0.5391006028891318
Energy: 0.5995836630218878
Energy: 0.5969485830548817
Energy: 0.5325086761711595
Energy: 0.5996047779228247
Energy: 0.614276671978124
Energy: 0.6164446468221572
Energy: 0.6151093197423381
Energy: 0.6156512180908762
Energy: 0.5595029645666699
Energy: 0.6201336205130275
Energy: 0.6146065588985112
Energy: 0.5625260989062453
Energy: 0.5581844426405543
Energy: 0.6151939057288104
Energy: 0.560666655487083
Energy: 0.5564134269434494
Energy: 0.6072509257569405
Energy: 0.6017006498119265
Energy: 0.601058494780526
Energy: 0.5346068244932638
Energy: 0.6016222907701542
Energy: 0.6020387514487306
Energy: 0.5393403159330565
Energy: 0.562874390705301
Energy: 0.5995245670880538
Energy: 0.5398596435964009
Energy: 0.5622502586905996
Energy: 0.5336937457605936
Energy: 0.5418049109728802
Energy: 0.5407360463597275
Energy: 0.5931776324990172
Energy: 0.5425764154808974
Energy: 0.535656762923144
Energy: 0.53355878980815
Energy: 0.5992174647228637
Energy: 0.5952579721929331
Energy: 0.5927968436665466
Energy: 0.5342165624482288
Energy: 0.5716618353091396
Energy: 0.5922751759865865
Energy: 0.6015472336647565
Energy: 0.5372112141132555
Energy: 0.5345161284020841
Energy: 0.6023752388783089
Energy: 0.5358112944622969
Energy: 0.5348468811405862
Energy: 0.6023468173423591
Energy: 0.6037148992219139
Energy: 0.6010108235648844
Energy: 0.5623402381975381
Energy: 0.5793242616072273
Energy: 0.598766907127307
Energy: 0.563200063696722
Energy: 0.5335245887061039
Energy: 0.5908215909071882
Energy: 0.5636016087216004
Energy: 0.527562101728372
Energy: 0.5593234708067898
Energy: 0.5579943812273127
Energy: 0.6178952598787963
Energy: 0.6219294804419297
Energy: 0.5579125587844022
Energy: 0.6191443859345389
Energy: 0.5589759397281268
Energy: 0.5936158240327134
Energy: 0.6113462197840834
Energy: 0.6042561050967565
Energy: 0.5413924339540435
Energy: 0.6109541568506659
Energy: 0.6046165558947656
Energy: 0.607858360154649
Energy: 0.6020370921877154
Energy: 0.6002345873293277
Energy: 0.6084956505407448
Energy: 0.6033155033753081
Energy: 0.6011888009496075
Energy: 0.6001849094619917
Energy: 0.6140557944702411
Energy: 0.6137920272640026
Energy: 0.6007036627628384
Energy: 0.598960269526576
Energy: 0.6279672380974041
Energy: 0.6418873518444884
Energy: 0.5950165681363503
Energy: 0.6134056546518766
Energy: 0.618184086701985
Energy: 0.5954942503998216
Energy: 0.6100066247472364
Energy: 0.6090676944629683
Energy: 0.606717407384389
Energy: 0.6081704234622078
Energy: 0.609307252949165
Energy: 0.6036448217166199
Energy: 0.6005035717941763

minimum gb energy = 0.527562101728372 eV
minimum distance =  2.34365666028201 Angstroms
sigma value = 33


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

Energy: 0.7328023406455901
Energy: 0.7379965791301335
Energy: 0.7276349008229146
Energy: 0.6424471919862955
Energy: 0.736306326304991
Energy: 0.7065331587608689
Energy: 0.7510924578397066
Energy: 0.6746240702916332
Energy: 0.6346080325881053
Energy: 0.7214050501549175
Energy: 0.6745604129948012
Energy: 0.6713892953592038
Energy: 0.7425804575076732
Energy: 0.6645825262334322
Energy: 0.6963746426884312
Energy: 0.7106428038668453
Energy: 0.6672300391035257
Energy: 0.6953686240257811
Energy: 0.674967068988168
Energy: 0.6848282277255283
Energy: 0.695550573057807
Energy: 0.6748007050683567
Energy: 0.6993184875953962
Energy: 0.6947856637130375
Energy: 0.6755082838574181
Energy: 0.7267058391270249
Energy: 0.6285453999449582
Energy: 0.6758038378487082
Energy: 0.7229313096642265
Energy: 0.6341263766855926
Energy: 0.690659472178522
Energy: 0.7094386609550782
Energy: 0.6774305166036182
Energy: 0.6272161444768373
Energy: 0.7086403313935605
Energy: 0.6728707645748777
Energy: 0.6740720058748715
Energy: 0.6268089220581927
Energy: 0.6744056500359474
Energy: 0.6741561330543335
Energy: 0.6735556457721171
Energy: 0.6690307818982114
Energy: 0.6758118311807535
Energy: 0.6250744395150429
Energy: 0.6290657986699322
Energy: 0.675774380416323
Energy: 0.6297295930598719
Energy: 0.6705679380346887
Energy: 0.6909513538525843
Energy: 0.6724059281936656
Energy: 0.6994539567879091
Energy: 0.6737612625133704
Energy: 0.6748150286203962
Energy: 0.6957304239157156
Energy: 0.69110427828821
Energy: 0.6305612650476871
Energy: 0.6268558900632999
Energy: 0.6917473297359493
Energy: 0.6268352500809197
Energy: 0.6265910571361404
Energy: 0.6930184893596545
Energy: 0.6270560390366936
Energy: 0.6835378144263292
Energy: 0.6282219749558355
Energy: 0.6607134976745724
Energy: 0.681643023752424
Energy: 0.6255855013136141
Energy: 0.625982464465658
Energy: 0.6264096313684032
Energy: 0.6256240524118114
Energy: 0.6435499368878225
Energy: 0.6264533887028845
Energy: 0.6258044182301364
Energy: 0.6725194354325409
Energy: 0.6704149400120816
Energy: 0.6258598442894694
Energy: 0.635205175623441
Energy: 0.6261230001578947
Energy: 0.6939823620289095
Energy: 0.6319989678179824
Energy: 0.6942115719225199
Energy: 0.6131922977642001
Energy: 0.6919308592686839
Energy: 0.6107375306763078
Energy: 0.696097799572507
Energy: 0.6788606359723969
Energy: 0.6697992432988504
Energy: 0.6943158624278022
Energy: 0.676029508290359
Energy: 0.6692750909669977
Energy: 0.6706003482502005
Energy: 0.6969350238270169
Energy: 0.6976990074522483
Energy: 0.6711241418651296
Energy: 0.6371246129817197
Energy: 0.670982664221368
Energy: 0.7472389450624514
Energy: 0.6374026425872987
Energy: 0.6954791447730316
Energy: 0.7116195233194493
Energy: 0.6410607934217405
Energy: 0.7017818189045736
Energy: 0.7538262546968856
Energy: 0.6729296619588053
Energy: 0.6693993836942923
Energy: 0.7225814876551842
Energy: 0.6740510237720417
Energy: 0.7200225583161418
Energy: 0.6808027251339922
Energy: 0.7104101594239219
Energy: 0.701505470245194
Energy: 0.6400183870943866
Energy: 0.7097800308408658
Energy: 0.6903558623822124
Energy: 0.6994977049142171
Energy: 0.7261479599328676
Energy: 0.6701676672667011
Energy: 0.7001287394462449
Energy: 0.7237295913933354
Energy: 0.6694233609784089
Energy: 0.7464523130379049
Energy: 0.6990288361925869
Energy: 0.6982685446697785
Energy: 0.7112263254636839
Energy: 0.6757471429254029
Energy: 0.7019032143356903
Energy: 0.7128139906287169
Energy: 0.6647359748508621
Energy: 0.6958742978538549
Energy: 0.7135567586468682
Energy: 0.6653556740806055
Energy: 0.6960055565633069
Energy: 0.6756639861476614
Energy: 0.6753977905247107
Energy: 0.6331244112418851
Energy: 0.6753956986780058
Energy: 0.7386758751204007
Energy: 0.6731456179842074
Energy: 0.6897109486262815
Energy: 0.708206362977265
Energy: 0.709154686254577
Energy: 0.6233105273150464
Energy: 0.7083793968520674
Energy: 0.6851347797351905
Energy: 0.6736438943615289
Energy: 0.6265142791469358
Energy: 0.6730384199453296
Energy: 0.6738466809694279
Energy: 0.6741058876565468
Energy: 0.7163284456715074
Energy: 0.6795417468976909
Energy: 0.6251019414638218
Energy: 0.6397587707741806
Energy: 0.680125532436352
Energy: 0.6289201334009665
Energy: 0.6709408485196279
Energy: 0.6901829408091414
Energy: 0.6265855921678093
Energy: 0.6997488039768237
Energy: 0.6927202862996492
Energy: 0.6407299183323221
Energy: 0.6960581021795398
Energy: 0.6912291588106811
Energy: 0.6268331335035382
Energy: 0.6271115670883003
Energy: 0.6915823101029192
Energy: 0.627209594804684
Energy: 0.6266929487997893
Energy: 0.6934577116634377
Energy: 0.661418089641111
Energy: 0.6804717444086658
Energy: 0.6293410960709758
Energy: 0.6579878824298363
Energy: 0.6834029556342234
Energy: 0.6256935925940015
Energy: 0.6258506866686034
Energy: 0.627083718796687
Energy: 0.6256068007018253
Energy: 0.638362771902075
Energy: 0.62625313501543
Energy: 0.628806222767979
Energy: 0.6719532085298479
Energy: 0.6253654368179764
Energy: 0.6263719924752127
Energy: 0.6731517088472077
Energy: 0.6262911158109169
Energy: 0.6935544029837649
Energy: 0.6721715487549476
Energy: 0.6937385596916247
Energy: 0.6129058821912654
Energy: 0.6941572122299507
Energy: 0.6800196598787162
Energy: 0.6932400750392638
Energy: 0.6759362487747084
Energy: 0.6698029608506707
Energy: 0.6949111835043417
Energy: 0.6770492205658406
Energy: 0.6698356835081318
Energy: 0.6691290210190883
Energy: 0.68869594603223
Energy: 0.6671241922494602
Energy: 0.669755952323228
Energy: 0.6369671997348624
Energy: 0.6684636422268319
Energy: 0.7962582277041521
Energy: 0.6375461649091855
Energy: 0.6936685115173655
Energy: 0.7134626928672945
Energy: 0.6128627431624124
Energy: 0.6992848906890479
Energy: 0.7428186772534361
Energy: 0.6728829277354574
Energy: 0.6714713589291302
Energy: 0.7170325357207628
Energy: 0.6781075196719004
Energy: 0.7196588169582744
Energy: 0.6811714549777201
Energy: 0.7104772386175409
Energy: 0.7018128843196543
Energy: 0.6374766018759005
Energy: 0.7104915049686542
Energy: 0.6905677185671985

minimum gb energy = 0.6107375306763078 eV
minimum distance =  2.3609279170894 Angstroms
sigma value = 41


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

Energy: 0.8628127294212109
Energy: 0.8054850063215129
Energy: 0.8438066506451711
Energy: 0.7384651785096994
Energy: 0.8057849556294581
Energy: 0.8444099342066791
Energy: 0.8742332108140792
Energy: 0.7785766617033547
Energy: 0.7797947527113716
Energy: 0.776088690974812
Energy: 0.7779246702945197
Energy: 0.7550628581356639
Energy: 0.8747034293320111
Energy: 0.7396489682995817
Energy: 0.7368805409221572
Energy: 0.776202290341917
Energy: 0.7422593289592712
Energy: 0.7539304692511248
Energy: 0.7801178364063496
Energy: 0.7395701030932862
Energy: 0.737264553416101
Energy: 0.7801965772051251
Energy: 0.7406838212771657
Energy: 0.7636011455925471
Energy: 0.7627582404633907
Energy: 0.7796449045738566
Energy: 0.7565605839720838
Energy: 0.7627244445553649
Energy: 0.7792705200075452
Energy: 0.7400774484202167
Energy: 0.7764929137129148
Energy: 0.7804983388001221
Energy: 0.7396110667495053
Energy: 0.7652257849622063
Energy: 0.7800903310424471
Energy: 0.7387429815748134
Energy: 0.761476654875006
Energy: 0.7421842783662125
Energy: 0.7551355297212629
Energy: 0.7615242153250262
Energy: 0.7408129868485958
Energy: 0.7417376235485573
Energy: 0.7647903433285947
Energy: 0.740392891206635
Energy: 0.7393888071402418
Energy: 0.7658018521549556
Energy: 0.7444289271782902
Energy: 0.762841870025476
Energy: 0.8033477050296756
Energy: 0.7412165759146759
Energy: 0.739141592328349
Energy: 0.8066466860766263
Energy: 0.7819634612851946
Energy: 0.7388862434278283
Energy: 0.7797065375775021
Energy: 0.7668020556131935
Energy: 0.744438949177424
Energy: 0.768193164991209
Energy: 0.7627413645072715
Energy: 0.7383718730977357
Energy: 0.7689057770493335
Energy: 0.7558463948876477
Energy: 0.7427689282095786
Energy: 0.7398926504482848
Energy: 0.7248236767338554
Energy: 0.7422280270171246
Energy: 0.8801772750058984
Energy: 0.7244252340293726
Energy: 0.7249052538695795
Energy: 0.880684919887593
Energy: 0.7245482528296924
Energy: 0.7765768586204587
Energy: 0.8788031549819867
Energy: 0.7631067836196246
Energy: 0.7548521234396547
Energy: 0.7768415488584074
Energy: 0.7662683841185332
Energy: 0.7546857042424224
Energy: 0.7233793482717963
Energy: 0.7781695001615401
Energy: 0.7304827804462152
Energy: 0.7279219367159065
Energy: 0.7779100553175832
Energy: 0.7256161465678126

minimum gb energy = 0.7233793482717963 eV
minimum distance =  2.35443507280023 Angstroms
sigma value = 11


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

Energy: 0.894666348696016
Energy: 0.9373584765705495
Energy: 0.9092243194905981
Energy: 0.8824051478339116
Energy: 0.9360310951497601
Energy: 0.8580332987332553
Energy: 1.004902956455519
Energy: 0.8537750635189149
Energy: 0.8552819650627655
Energy: 0.8602395642422805
Energy: 0.8531735924932835
Energy: 0.879570458592899
Energy: 1.0145330891175475
Energy: 0.871313970024933
Energy: 0.8613874798497394
Energy: 0.8634882902023568
Energy: 0.8465157664312556
Energy: 0.8614575724606557
Energy: 0.88011712693552
Energy: 0.8456325832721782
Energy: 0.8484489573558841
Energy: 0.8579931213337566
Energy: 0.8480369978130093
Energy: 0.8827587250926057
Energy: 0.8786048433416161
Energy: 0.8554102088424437
Energy: 0.8558357124684403
Energy: 0.8512686571569135
Energy: 0.85760622324208
Energy: 0.8889091090873651
Energy: 0.9028351224172485
Energy: 0.8595309357838498
Energy: 0.8549821673467829
Energy: 0.8498811567157183
Energy: 0.8744284714623243
Energy: 0.8661279204635886
Energy: 0.8746746250007278
Energy: 0.8670396293651594
Energy: 0.8665801044258461
Energy: 0.8749076971833628
Energy: 0.8604704887409924
Energy: 0.8443142958258603
Energy: 0.869794630562496
Energy: 0.8666429647672974
Energy: 0.8867218211675195
Energy: 0.8556806910645878
Energy: 0.8499805299701425
Energy: 0.8579450445764645
Energy: 0.8475729576050939
Energy: 0.8785077060933043
Energy: 0.8707149234753128
Energy: 0.842312079557624
Energy: 0.8630238633833065
Energy: 0.845355963063553
Energy: 0.8479428531734903
Energy: 0.8785875247868956
Energy: 0.8697766532760888
Energy: 0.843526106224237
Energy: 0.863415290794004
Energy: 0.8442191455905459
Energy: 0.8705061394678809
Energy: 0.8561348575545027
Energy: 0.8891785653000313
Energy: 0.8559224366236783
Energy: 0.8591847912235979
Energy: 0.8558703487181958
Energy: 0.8549842803759814
Energy: 0.8484179705164177
Energy: 0.8591682858267558
Energy: 0.8551445687003774
Energy: 0.8583457212234972
Energy: 0.8691321920261792
Energy: 0.8530829864218659
Energy: 0.8567860045648842
Energy: 0.8576702133015163
Energy: 0.8531734052888065
Energy: 0.8603465301622087
Energy: 0.8828070005522153
Energy: 0.8715450727123569
Energy: 0.8746672165642636
Energy: 0.8654867250289547
Energy: 0.8495212543791358
Energy: 0.9216861983384634
Energy: 0.8698112937905578
Energy: 0.8465083540815854
Energy: 0.8567774608628326
Energy: 0.8836028744975263
Energy: 0.850898557870815
Energy: 0.8588699921783676
Energy: 0.8818665048912068
Energy: 0.8469783762649843
Energy: 0.8846292673068065
Energy: 0.882890663386976
Energy: 0.8480739220193563
Energy: 0.8578634180610547
Energy: 0.8468526310092013
Energy: 0.8463757405096229
Energy: 0.849171925817685
Energy: 0.8735049019166651
Energy: 0.8465881143988029
Energy: 0.8534480112987037
Energy: 0.8634842888903104
Energy: 0.8902841135608291
Energy: 0.9023529381481936
Energy: 0.8932156605896339
Energy: 0.8555780106795152
Energy: 0.9020603223417802
Energy: 0.8564327802885515
Energy: 0.8638378337900263
Energy: 0.8538914872458171
Energy: 0.8529765924183693
Energy: 0.864365782944991
Energy: 0.8541260214183674
Energy: 0.8727469034304489
Energy: 0.8751155792382247
Energy: 0.843068042447834
Energy: 0.8567669408120988
Energy: 0.859837116077764
Energy: 0.8493091968096101
Energy: 0.8471441756502611
Energy: 0.9302873391556946
Energy: 0.8476820851200544
Energy: 0.8468725288446675
Energy: 0.8594725045033433
Energy: 0.8563724627499307
Energy: 0.8700728982663126
Energy: 0.8832635040476863
Energy: 0.8571811994704618
Energy: 0.8597132285461413
Energy: 0.8682751344070115
Energy: 0.8578609648098949
Energy: 0.8695900648639132
Energy: 0.8689186669742658
Energy: 0.8696179624264633
Energy: 0.8599662268203726
Energy: 0.8418538233925762
Energy: 0.860308905916595
Energy: 0.8594328909916588
Energy: 0.9278634462358222
Energy: 0.865210682021674
Energy: 0.8733200385735078
Energy: 0.8549128999903044
Energy: 0.8602591455873478
Energy: 0.8710181088019244
Energy: 0.9241472941897192
Energy: 0.8534186169297548
Energy: 0.8735565651722785
Energy: 0.9249814837186258
Energy: 0.8633420271676333
Energy: 0.8750922293480217
Energy: 0.9127961380940491
Energy: 0.8462560717670914
Energy: 0.8558752075033145
Energy: 0.8587026161979849
Energy: 0.8483763878092392
Energy: 0.8833215173327168
Energy: 0.8954334215156117
Energy: 0.8459809409763133
Energy: 0.8471452658864276
Energy: 0.8594391959325225
Energy: 0.8485441836963112
Energy: 0.847076103701419
Energy: 0.8958262758596597
Energy: 0.8527887940188625
Energy: 0.8472225876490136
Energy: 0.8588015790047788
Energy: 0.8505391390419365
Energy: 0.8829316426416413
Energy: 0.9338085311805325
Energy: 0.8591532577188657
Energy: 0.8589465796945768
Energy: 0.8659738425256701
Energy: 0.856285780754431
Energy: 0.8760279523890017
Energy: 1.0035334790374344
Energy: 0.8534071240664671
Energy: 0.8498072660903293
Energy: 0.8615484992286363
Energy: 0.8530875883748681
Energy: 0.8843970805518278
Energy: 0.8807179956720962
Energy: 0.8576716184818137
Energy: 0.8736190824429986
Energy: 0.8472246900134462
Energy: 0.8559865723666735
Energy: 0.854853595370113

minimum gb energy = 0.8418538233925762 eV
minimum distance =  2.33237201193511 Angstroms
sigma value = 57


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

Energy: 1.178067544456224
Energy: 0.8603922776185168
Energy: 0.9699123846093772
Energy: 0.963845285897676
Energy: 1.2670742479452106
Energy: 0.9673722647294853
Energy: 0.9110288339716818
Energy: 0.8621181125680856
Energy: 0.8599892608995944
Energy: 0.8688168716197774
Energy: 0.8713985781369763
Energy: 0.8589434612021071
Energy: 0.9116239854050635
Energy: 0.8840134020828315
Energy: 0.8670507828201507
Energy: 0.9124516246107547
Energy: 0.8644136457885712
Energy: 0.8614782991438545
Energy: 0.8660219883350823
Energy: 0.8638323094058425
Energy: 0.8586280913006008
Energy: 0.8667466560825224
Energy: 0.8638078236393574
Energy: 0.8589506551691624
Energy: 0.8669234527712806
Energy: 0.8646142754481276
Energy: 0.8616090176811904
Energy: 0.8687495489638538
Energy: 0.8670970365123255
Energy: 0.8587801904078015
Energy: 0.8676722333139736
Energy: 0.8721227074831447
Energy: 0.869885321911245
Energy: 0.8651621009899103
Energy: 0.9143018554354821
Energy: 0.8613977188035981
Energy: 0.9100341456019032
Energy: 0.8860795823072147
Energy: 0.8885123457783878
Energy: 0.9109612866933642
Energy: 0.8831720417490716
Energy: 0.8615458102533864
Energy: 0.9541692132961602
Energy: 0.8697101206689872
Energy: 0.8607439617177347
Energy: 0.8706845124861325
Energy: 0.8709253480650687
Energy: 0.8579531915162723
Energy: 0.8391072953934006
Energy: 0.8688577918172374
Energy: 0.8854801749887153
Energy: 0.8392999355131634
Energy: 0.8659048160220598
Energy: 0.84047828576213
Energy: 0.8857620802464711
Energy: 0.8682433033726401
Energy: 0.8853549182365819
Energy: 0.8397186388332574
Energy: 0.8663579808681062
Energy: 0.8408989227426769
Energy: 0.9531929386126743
Energy: 0.871178760477816
Energy: 0.8627435165760144
Energy: 0.8708911020415373
Energy: 0.8610817078982009
Energy: 0.8584890831552338
Energy: 0.9008137440595472
Energy: 0.8645953477571511
Energy: 0.8635141239305516
Energy: 0.9015231343104365
Energy: 0.8878967736919273
Energy: 0.8692534531881051
Energy: 0.8721007118442411
Energy: 0.8616816332766972
Energy: 0.8594517767369247
Energy: 0.8697039194353622
Energy: 0.8590947058732429
Energy: 0.858202527449111
Energy: 0.8671302354995113
Energy: 0.9126890851339179
Energy: 0.8680708179173915
Energy: 0.8639462037499339
Energy: 0.9125519120416555
Energy: 0.8691939012515132
Energy: 0.8683609687318135
Energy: 0.8829824128183753
Energy: 0.8593410806882177
Energy: 0.8704965760721993
Energy: 0.8816287824926828
Energy: 0.8591054010739094
Energy: 0.9135832355715825
Energy: 0.8836874441075359
Energy: 0.840124352960246
Energy: 0.9118628347827916
Energy: 0.8827589108964599
Energy: 0.861015328928238
Energy: 0.8396244822929791
Energy: 0.8632443326509575
Energy: 0.8602458050556245
Energy: 0.8395169656016336
Energy: 0.8721914887516625
Energy: 0.8604836843126539

minimum gb energy = 0.8391072953934006 eV
minimum distance =  2.35020930922231 Angstroms
sigma value = 9


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

Energy: 1.4300799884062803
Energy: 0.9382345400712998
Energy: 0.9160156598050282
Energy: 0.9040310043572226
Energy: 0.9614655589736345
Energy: 0.9314474570323907
Energy: 0.927727555556158
Energy: 0.9104956280575391
Energy: 0.9110082917113721
Energy: 0.908864594028625
Energy: 0.9374983598758426
Energy: 0.9153134478057972
Energy: 0.9206359946859347
Energy: 0.9181852806141665
Energy: 0.9136499874361582
Energy: 0.9007399099201365
Energy: 0.9082137987945379
Energy: 0.9136146784721094
Energy: 0.9068664351941963
Energy: 0.9103461242154329
Energy: 0.9212225140731479
Energy: 0.9087749675629907
Energy: 0.9089804695517001
Energy: 0.9254529549096001
Energy: 0.9504623064248949
Energy: 0.8870089048431411
Energy: 0.8846906699879695
Energy: 0.8833934175956565
Energy: 0.8844144744313956
Energy: 0.8836500509263895
Energy: 0.9177406727758931
Energy: 0.9119356324131105
Energy: 0.90980396273885
Energy: 0.9187466936048874
Energy: 0.9150434787503218
Energy: 0.9095400728055715
Energy: 0.9016999650225469
Energy: 0.9098350365555555
Energy: 0.9181565087820466
Energy: 0.8823769718918457
Energy: 0.9115602650142468
Energy: 0.9120423096294817
Energy: 0.9370449446998049
Energy: 0.9082748713528349
Energy: 0.9144549804297818
Energy: 0.9018173313383772
Energy: 0.9093013560821337
Energy: 0.9140604935155526
Energy: 0.956001289342474
Energy: 0.8868482830500957
Energy: 0.8887791026810867
Energy: 0.907968870032267
Energy: 0.8842964159616199
Energy: 0.923580901917298
Energy: 0.9346807527889235
Energy: 0.886018542021881
Energy: 0.883874328955986
Energy: 0.9327534678093372
Energy: 0.9025760963467448
Energy: 0.8827901851846569
Energy: 0.9373191426074741
Energy: 0.9007053727850656
Energy: 0.8993719709609709
Energy: 0.9043467367955387
Energy: 0.8986206938154123
Energy: 0.8834995500602825
Energy: 0.9375918952494924
Energy: 0.9193345830939381
Energy: 0.9167035963058516
Energy: 0.922313956482594
Energy: 0.9100107652252177
Energy: 0.9157611297464643
Energy: 0.9499932135960893
Energy: 0.9111840751172764
Energy: 0.9120593532547784
Energy: 0.9176373955323113
Energy: 0.9086495653937418
Energy: 0.9087009571495057
Energy: 0.9285860762668963
Energy: 0.9097922096208105
Energy: 0.9104836824069319
Energy: 0.9027444891621771
Energy: 0.910668511830141
Energy: 0.9251156135672721
Energy: 0.9371905348542189
Energy: 0.8815375302310593
Energy: 0.8816679065434563
Energy: 0.9218497953833058
Energy: 0.9260420410679127
Energy: 0.8861136042856631
Energy: 0.9211630337939755
Energy: 0.9197194879934444
Energy: 0.8810146539938873
Energy: 0.9031626495676387
Energy: 0.9075939120927492
Energy: 0.8817616681012759
Energy: 0.9206661145206877
Energy: 0.9219209788065458
Energy: 0.9254685986850163
Energy: 0.9212041304921034
Energy: 0.908635794112462
Energy: 0.9114123117528159
Energy: 1.0280662509936986
Energy: 0.9114322314496905
Energy: 0.8829526798487044
Energy: 0.8891776927008319
Energy: 0.9276535561878851
Energy: 0.8834024314221465
Energy: 0.9254965868215519
Energy: 0.9100273010285168
Energy: 0.9181331964872566
Energy: 0.9261022820924175
Energy: 0.9025463177186527
Energy: 0.9143972733471314
Energy: 0.921434442041427
Energy: 0.9247731680669783
Energy: 0.9190111177783414
Energy: 0.8825586999895711
Energy: 0.9098229969498062
Energy: 0.9143990553908294
Energy: 0.9270157655325275
Energy: 0.8841503136353488
Energy: 0.9112445502533764
Energy: 0.9080825114290924
Energy: 0.9246825422738651
Energy: 0.8821130650018875

minimum gb energy = 0.8810146539938873 eV
minimum distance =  2.34817121132193 Angstroms
sigma value = 27


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

Energy: 1.2968576282321498
Energy: 0.9411782311823137
Energy: 0.897399514484678
Energy: 0.8783046702814802
Energy: 1.3061561604928114
Energy: 0.8977400258050026
Energy: 0.9607378919175668
Energy: 0.8925001639190125
Energy: 0.8928267434098505
Energy: 0.9005388255557887
Energy: 0.9115168932628771
Energy: 0.8865950407267965
Energy: 0.8966423583107344
Energy: 0.8987287814940857
Energy: 0.9003617574615902
Energy: 0.8820306043233812
Energy: 0.8833578085541908
Energy: 0.9194350153064904
Energy: 0.9039331548763159
Energy: 0.8868578691176865
Energy: 0.8986925587086081
Energy: 0.8985644518457818
Energy: 0.8871034266601766
Energy: 0.8975591360275884
Energy: 0.9152222419771198
Energy: 0.8850680321452127
Energy: 0.8808993379546308
Energy: 0.8794657765829987
Energy: 0.8847927042450999
Energy: 0.8818470043287373
Energy: 0.9192352757300676
Energy: 0.8994178918812333
Energy: 0.8973411486777684
Energy: 0.9013190300251549
Energy: 0.9002685341901574
Energy: 0.8971383961669077
Energy: 0.8966629296192523
Energy: 0.9126164718006322
Energy: 0.8982150569495834
Energy: 0.8831360612462807
Energy: 0.8796511579626743
Energy: 0.8976715691630646
Energy: 0.9042675910356683
Energy: 0.8810814638429052
Energy: 0.8823859397195524
Energy: 0.905367296063097
Energy: 0.8807134752397978
Energy: 0.8838871158553538
Energy: 0.9056104225532327
Energy: 0.8841246447130852
Energy: 0.9119156788625735
Energy: 0.8811699917848985
Energy: 0.9059497071636723
Energy: 0.8819007099025723
Energy: 0.9291413503904296
Energy: 0.9081842881735871
Energy: 0.9066803762355037
Energy: 0.8817665429835959
Energy: 0.9091605037868957
Energy: 0.9010453822757387
Energy: 0.9310686529273883
Energy: 0.9109108855463713
Energy: 0.9102421012920598
Energy: 0.883044036117586
Energy: 0.8801760802828988
Energy: 0.908699926602236
Energy: 0.9275061355071337
Energy: 0.9070310272725397
Energy: 0.9085899805620451
Energy: 0.9155638355292922
Energy: 0.9112768121455145
Energy: 0.9095592660918433
Energy: 0.9919566581526108
Energy: 0.909739787142498
Energy: 0.9077506391563125
Energy: 0.9025668328473537
Energy: 0.9128867523836856
Energy: 0.901439144265745
Energy: 0.9867764401963652
Energy: 0.9050944533922731
Energy: 0.9049805859820464
Energy: 0.9025519439247985
Energy: 0.9092495212664059
Energy: 0.9058703362598477
Energy: 0.9268321021187937
Energy: 0.9067770757388267
Energy: 0.9023326307682973
Energy: 0.9042817792902145
Energy: 0.9108904206771959
Energy: 0.9009513521168497
Energy: 0.911034865908567
Energy: 0.8958215937595774
Energy: 0.8945660940000403
Energy: 0.8982269775270376
Energy: 0.9053643065319276
Energy: 0.8949141713822254
Energy: 0.9302142615720204
Energy: 0.9092437545737525
Energy: 0.9108116061585037
Energy: 0.8806411136425732
Energy: 0.9183912125813882
Energy: 0.9030429716507139
Energy: 0.9229383962058558
Energy: 0.8806527382078504
Energy: 0.9016056648304339
Energy: 0.8802030232449994
Energy: 0.8830801663314923
Energy: 0.9013779905857991
Energy: 0.9005015244921041
Energy: 0.8896197690891144
Energy: 0.8826630448426516
Energy: 0.9050316609436859
Energy: 0.880340892684742
Energy: 0.8811417705939433
Energy: 0.895893790534234
Energy: 0.889627192542084
Energy: 0.8897535000385596
Energy: 0.8837290984052293
Energy: 0.8803544117145333
Energy: 0.881729403937463
Energy: 0.9229254851368778
Energy: 0.8841666754626094
Energy: 0.8802462730956114
Energy: 0.8818847293322936
Energy: 0.8833312551642002
Energy: 0.8815720669008325
Energy: 0.9089961106306365
Energy: 0.8803122477744925
Energy: 0.8861294113609822
Energy: 0.8783405414354427
Energy: 0.8834892268742852
Energy: 0.8869845455640634
Energy: 0.9254208741784861
Energy: 0.8976079296949041
Energy: 0.8974582196827994
Energy: 0.8911596677862933
Energy: 0.8963141586953444
Energy: 0.8987778409663042
Energy: 0.8961287614687721
Energy: 0.898670599657055
Energy: 0.8986585935272571
Energy: 0.8840972975770143
Energy: 0.8996152278517731
Energy: 0.8979471014057319
Energy: 0.9979179415673344
Energy: 0.9052464292404687
Energy: 0.9043894111494499
Energy: 0.880967421574249
Energy: 0.9053071014071723
Energy: 0.8793557801635038

minimum gb energy = 0.8783046702814802 eV
minimum distance =  2.32249609927816 Angstroms
sigma value = 19


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

Energy: 1.3878609855214759
Energy: 0.872708450810267
Energy: 0.8618947754485915
Energy: 0.8834012405513486
Energy: 0.8875398049609001
Energy: 0.8616949158770736
Energy: 0.9028841529524693
Energy: 0.8731880430466251
Energy: 0.8688444492136086
Energy: 0.8721825615023657
Energy: 0.8736733115660217
Energy: 0.8714773527785428
Energy: 0.902467063943956
Energy: 0.8715396992710523
Energy: 0.8724619232586195
Energy: 0.8798925107941168
Energy: 0.8711235583442487
Energy: 0.869606018757214
Energy: 0.901164523659505
Energy: 0.871795245495667
Energy: 0.8723998631723157
Energy: 0.8734596803121334
Energy: 0.8948616030781249
Energy: 0.8726149982280419
Energy: 0.9015702595520081
Energy: 0.8728733437369015
Energy: 0.8735897523322945
Energy: 0.8781401522316629
Energy: 0.8805191613376021
Energy: 0.874939173486585
Energy: 0.9121922763338108
Energy: 0.9044486967039485
Energy: 0.9076776714786837
Energy: 0.8731170770249306
Energy: 0.8714795004575379
Energy: 0.8720854501782067
Energy: 0.9077201738708588
Energy: 0.8769412168563316
Energy: 0.8743342822023549
Energy: 0.8796653486606097
Energy: 0.8799027082263147
Energy: 0.872284297084247
Energy: 0.9005881174429946
Energy: 0.8753725465107028
Energy: 0.8704950918585072
Energy: 0.8733440772829121
Energy: 0.8705002407076666
Energy: 0.868441763077409
Energy: 0.8887678623554425
Energy: 0.8687689714831329
Energy: 0.8720367415816939
Energy: 0.87111516110525
Energy: 0.8649051166372707
Energy: 0.8732458164433767
Energy: 0.8891142308839758
Energy: 0.8831574977634534
Energy: 0.8817411967177103
Energy: 0.8709536467278931
Energy: 0.8844994556406576
Energy: 0.8817676722903687
Energy: 0.9024901749768452
Energy: 0.864980630619143
Energy: 0.8652280806920715
Energy: 0.8819835860238051
Energy: 0.8620160604389541
Energy: 0.8506215540991688
Energy: 0.8989875822887067
Energy: 0.8853427149672365
Energy: 0.8542389753785379
Energy: 0.8457006217080233
Energy: 0.8716282013198717
Energy: 0.8544286612807629
Energy: 0.9187095843732821
Energy: 0.8719504040015577
Energy: 0.8724371083087653
Energy: 0.8718029696813518
Energy: 0.8979700467974769
Energy: 0.8726619895580239
Energy: 0.9372016582528321
Energy: 0.8830366819421369
Energy: 0.8791528851187469
Energy: 0.8618376743647641
Energy: 0.8858633966953303
Energy: 0.8718109116062228
Energy: 0.897916968465712
Energy: 0.8537885926673044
Energy: 0.8535486965418027
Energy: 0.8512761813618301
Energy: 0.8628352998613664
Energy: 0.8533641010150944
Energy: 0.8990410713669564
Energy: 0.8627936712302687
Energy: 0.8615277392567567
Energy: 0.8560188623999005
Energy: 0.8640986652302011
Energy: 0.8616232146366751
Energy: 0.9009432807155494
Energy: 0.8743267447212021
Energy: 0.8795964564215101
Energy: 0.8689837595802437
Energy: 0.8854077832605566
Energy: 0.8792968158612929
Energy: 0.9220625080246997
Energy: 0.8557191130043736
Energy: 0.8623380337090074
Energy: 0.8765402393234651
Energy: 0.8517043053982455
Energy: 0.8625158248551308
Energy: 0.9098939583780766
Energy: 0.8633712521201237
Energy: 0.8545231954129816
Energy: 0.8817782719245773
Energy: 0.8623742690187789
Energy: 0.8436487989852653
Energy: 0.8978287386638758
Energy: 0.862985470400852
Energy: 0.8627649871948108
Energy: 0.8746093539731845
Energy: 0.8628227731160606
Energy: 0.8680081219784133
Energy: 0.8749497461690554
Energy: 0.856259116834311
Energy: 0.862628832438757
Energy: 0.8644508130424845
Energy: 0.8464245234800402
Energy: 0.8632206320757776
Energy: 0.8717808802288756
Energy: 0.8455554772443599
Energy: 0.8562813836636401
Energy: 0.8538612765618125
Energy: 0.8452336146043101
Energy: 0.8538000140730079
Energy: 0.890502641740525
Energy: 0.877086020940402
Energy: 0.8770435957661097
Energy: 0.889886456475551
Energy: 0.8779954990443228
Energy: 0.8657616346897941
Energy: 0.9023327690434356
Energy: 0.8588575072153162
Energy: 0.8625420096069314
Energy: 0.8819810549702887
Energy: 0.8592378812095031
Energy: 0.8623559743592665
Energy: 0.9155850813205499
Energy: 0.8497671249117992
Energy: 0.8454718207761489
Energy: 0.8660122185162227
Energy: 0.8531998279579519
Energy: 0.8573041632211671
Energy: 0.9050835480967615
Energy: 0.8663447084458733
Energy: 0.8665511509636803
Energy: 0.8701801388974468
Energy: 0.8692132683491633
Energy: 0.871348328144348
Energy: 0.9035103275033778
Energy: 0.8723725815062433
Energy: 0.8724177508554363
Energy: 0.8882514604717664
Energy: 0.8717094573833291
Energy: 0.8718497109814409
Energy: 0.9020462668787491
Energy: 0.8721827020734336
Energy: 0.8737300131101354
Energy: 0.8642968134234736
Energy: 0.8718915608249951
Energy: 0.8719895393398955
Energy: 0.932539642586369
Energy: 0.9142265047634343
Energy: 0.9147485647158352
Energy: 0.8611603007697988
Energy: 0.9162719693995824
Energy: 0.861322558549148

minimum gb energy = 0.8436487989852653 eV
minimum distance =  2.32778398266795 Angstroms
sigma value = 101


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

Energy: 1.273166495551774
Energy: 0.8443698245557621
Energy: 0.8501799390800955
Energy: 0.8131131393194674
Energy: 0.8430353703356515
Energy: 0.8124401238762814
Energy: 0.889290754083613
Energy: 0.8334166009859831
Energy: 0.8403578098906443
Energy: 0.8397944511369037
Energy: 0.8344257491060212
Energy: 0.8476048577307681
Energy: 0.8882537485229847
Energy: 0.8393250461508799
Energy: 0.8437492969198916
Energy: 0.8347892333181014
Energy: 0.8411384634652039
Energy: 0.8353214602705603
Energy: 0.880881088899763
Energy: 0.8403101062676517
Energy: 0.8404985981760923
Energy: 0.8347785915776433
Energy: 0.8507417940171426
Energy: 0.8405781624299654
Energy: 0.8554633611728779
Energy: 0.8353912526627162
Energy: 0.8366813128176608
Energy: 0.8514299837646114
Energy: 0.8346620375130106
Energy: 0.8493163615660353
Energy: 0.8668825957315445
Energy: 0.8513694851974284
Energy: 0.8496548899858464
Energy: 0.8624126591913275
Energy: 0.8508336621338555
Energy: 0.8628875265408404
Energy: 0.8862496716218736
Energy: 0.8363834995634705
Energy: 0.8419590050483878
Energy: 0.8667975933840119
Energy: 0.8371985479046988
Energy: 0.8322341159924759
Energy: 0.8759321218062777
Energy: 0.8413456278826209
Energy: 0.8409078110089834
Energy: 0.8624057716330809
Energy: 0.8578924256544379
Energy: 0.8459143896774293
Energy: 0.8423725130138636
Energy: 0.8333613153565332
Energy: 0.8429580347112613
Energy: 0.8397399062176965
Energy: 0.832208595163706
Energy: 0.8398000251789111
Energy: 0.8580261444248407
Energy: 0.8415072486818357
Energy: 0.842034092692281
Energy: 0.8395087948396274
Energy: 0.841932708446014
Energy: 0.8423555226981637
Energy: 0.8864217636795625
Energy: 0.8398789397862523
Energy: 0.8091733683478994
Energy: 0.8346464231092513
Energy: 0.8271868377487813
Energy: 0.8093574168712493
Energy: 0.8885463116375226
Energy: 0.8415857254988809
Energy: 0.8415625203810532
Energy: 0.835744913526258
Energy: 0.8408133518439538
Energy: 0.8422066718903269
Energy: 0.8631238385968709
Energy: 0.8336519406728778
Energy: 0.8348496268301321
Energy: 0.836953375650329
Energy: 0.8334182047479712
Energy: 0.8339417605433332
Energy: 0.8807804926039378
Energy: 0.8520756854464079
Energy: 0.8458067642472984
Energy: 0.8345593911614108
Energy: 0.8354546316936365
Energy: 0.8464592523330826
Energy: 0.887601298194166
Energy: 0.8402051270044029
Energy: 0.8408197466752424
Energy: 0.838137743729145
Energy: 0.8393819747325175
Energy: 0.8426572053516479
Energy: 0.8879903020477765
Energy: 0.8462704336227631
Energy: 0.8407328872893944
Energy: 0.8382335911628123
Energy: 0.843240992748185
Energy: 0.852751543445202
Energy: 0.8642452442168566
Energy: 0.8972055208775749
Energy: 0.850407698597823
Energy: 0.8190375659830538
Energy: 0.8973959464069743
Energy: 0.835834633871326
Energy: 0.9318765212471238
Energy: 0.833928023633405
Energy: 0.8341906527257724
Energy: 0.8533266018171004
Energy: 0.8341414965572823
Energy: 0.8488185804434526
Energy: 0.8875100670384325
Energy: 0.8421955537472531
Energy: 0.8419529043059317
Energy: 0.8324795916748666
Energy: 0.8429074508000555
Energy: 0.8455082411863817
Energy: 0.8782110082329216
Energy: 0.8393899340332257
Energy: 0.8448780712673327
Energy: 0.8346393584148405
Energy: 0.8395833679777185
Energy: 0.8464680045030236
Energy: 0.8577296247269842
Energy: 0.8340601731011419
Energy: 0.8351129065353017
Energy: 0.8519896236692172
Energy: 0.8343216156715689
Energy: 0.8459787025101924
Energy: 0.8778314365434655
Energy: 0.8400024178662184
Energy: 0.8400883837388415
Energy: 0.8433373406533538
Energy: 0.8330277386662622
Energy: 0.8401201972529764
Energy: 0.8665858311292203
Energy: 0.8382336682009418
Energy: 0.8434438560152419
Energy: 0.8509662536569103
Energy: 0.8374171564963236
Energy: 0.8323506885464138
Energy: 0.8775341587554161
Energy: 0.8413811467283349
Energy: 0.8409228238898439
Energy: 0.864384991180803
Energy: 0.8382948225320918
Energy: 0.8346130934514312
Energy: 0.8542848786791903
Energy: 0.8356078883830321
Energy: 0.8477898133351963
Energy: 0.844221564241594
Energy: 0.8330598284266006
Energy: 0.8443927997132618
Energy: 0.8428327483575004
Energy: 0.8425352395870379
Energy: 0.8496839096482015
Energy: 0.8402046906488928
Energy: 0.8406747318142886
Energy: 0.8482875042433136
Energy: 0.8831582499070318
Energy: 0.8285600250892444
Energy: 0.829346456875905
Energy: 0.8281316692563995
Energy: 0.8281115338703581
Energy: 0.8367932194652185
Energy: 0.888459517683876
Energy: 0.8262866602634391
Energy: 0.827741633650534
Energy: 0.8381153301838482
Energy: 0.8245031478650322
Energy: 0.8467284269548591
Energy: 0.8621639361512868
Energy: 0.8358372992182299
Energy: 0.836625959834776
Energy: 0.8344862988452834
Energy: 0.8356128484112019
Energy: 0.843577765101297
Energy: 0.865218959507228
Energy: 0.844645877869473
Energy: 0.845378287947015
Energy: 0.8345922649171078
Energy: 0.843324175123257
Energy: 0.8508919551265095
Energy: 0.8886051375862178
Energy: 0.8448936542682208
Energy: 0.8459572580901834
Energy: 0.8355818098110555
Energy: 0.83825770548663
Energy: 0.8468198997191662
Energy: 0.8877902665859154
Energy: 0.8399629515196151
Energy: 0.8399888609957221
Energy: 0.8325393334983634
Energy: 0.8426405693754956
Energy: 0.8477060235468439
Energy: 0.865233856005393
Energy: 0.841748994601284
Energy: 0.8524107228621808
Energy: 0.8191890273825687
Energy: 0.841042728426118
Energy: 0.8494614700105283

minimum gb energy = 0.8091733683478994 eV
minimum distance =  2.3267299548152 Angstroms
sigma value = 33


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

Energy: 0.015599145799230257
Energy: 0.7658154806158367
Energy: 0.016274092824776095
Energy: 0.017390942161088656
Energy: 0.766929304754533
Energy: 0.016136018498144673
Energy: 0.41246166699694736
Energy: 0.11077949038180508
Energy: 0.10917932832377412
Energy: 0.1116339684847564
Energy: 0.11079451192565137
Energy: 0.10897910418825023
Energy: 1.0772862174156708
Energy: 0.7694625323267078
Energy: 0.7678853224481034
Energy: 0.7723761245499208
Energy: 0.7710753153341927
Energy: 0.7677949719787456
Energy: 0.016372554181437248
Energy: 0.11077949038180508
Energy: 0.10917932832377412
Energy: 0.1116339684847564
Energy: 0.11079451192565137
Energy: 0.10897910418825023

minimum gb energy = 0.015599145799230257 eV
minimum distance =  2.50242275892773 Angstroms
sigma value = 1