Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.249087345222446e-19, 1.7906406714574198e-19, 2.22495871340214e-19, 2.59003068122538e-19, 2.89389950162982e-19, 3.1467870615403797e-19, 3.3674548493411997e-19, 3.5623596368673e-19, 3.73893552370044e-19, 3.9127556667230996e-19, 4.08008699437806e-19, 4.2378212839953596e-19, 4.38438840247368e-19, 4.5190994138604e-19, 4.64171399166042e-19, 4.75223213587374e-19, 4.85084610769644e-19, 4.936995145306619e-19, 5.0056804576062e-19, 5.05781528527656e-19, 5.0952421314468e-19, 5.1193548897885e-19, 5.13271704291606e-19, 5.137139050425899e-19, 5.1322363899258595e-19, 5.11610247122148e-19, 5.08630198582908e-19, 5.03991897227478e-19, 4.9734767072628e-19, 4.88274544447938e-19, 4.762630262228399e-19, 4.60693073693628e-19, 4.4079884642925e-19, 4.15641468922182e-19, 3.8405295440623796e-19, 3.44961446713272e-19, 2.9674714526631e-19, 2.3706446347317597e-19, 1.62894900555414e-19, 7.03671171122898e-20, -4.5539467556499e-20, -1.9129508356969798e-19, -3.7527943515845395e-19, -6.120074415384899e-19, -9.18697694995404e-19, -1.31505857030403e-18, -1.8269299722175198e-18, -2.50466671016586e-18, -3.4193653722827997e-18, -4.6991039586903e-18, -6.52263731644374e-18, -1.431234000212004e-17, -3.652161637203e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010794173109720626
Energy: 0.07006025817263824
Energy: 0.46443478131559707
Energy: 0.01117675953715123
Energy: 0.07006025817209076
Energy: 0.5253649146596645
Energy: 0.01117675953715123
Energy: 0.5253649146532468
Energy: 0.4644347813177261
Energy: 0.01117675953715123
Energy: 0.010794173109720626
Energy: 0.07006025817209076
Energy: 0.01117675953715123
Energy: 0.5253649146617935
Energy: 0.07006025816996171
Energy: 0.5253649146591169

minimum gb energy = 0.010794173109720626 eV
minimum distance =  2.6416321688997 Angstroms
sigma value = 1


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

Energy: 1.0058889718829744
Energy: 0.7855986917605395
Energy: 0.7874328080808576
Energy: 0.7257496838028671
Energy: 0.7205201205839324
Energy: 0.7789165383825423
Energy: 0.7206216444605706
Energy: 0.7789165383825423
Energy: 0.7850939881599914
Energy: 0.7859879941422334
Energy: 1.095997196088587
Energy: 0.7859879941422334
Energy: 0.7214690924558909
Energy: 0.7197853628172319
Energy: 0.7201805984440756
Energy: 0.7197853628185599
Energy: 0.9385339008088529
Energy: 0.7200173042051274
Energy: 0.7216791859167868
Energy: 0.7200173042071193
Energy: 0.7477281068200485
Energy: 0.7998658275763001
Energy: 0.7201850410196577
Energy: 0.7998658275756362
Energy: 0.7437745092173669
Energy: 0.7414986494035838
Energy: 0.9363924604250655
Energy: 0.7414986494035838
Energy: 0.7458324272930276
Energy: 0.7799464049233253
Energy: 0.7851946238902124
Energy: 0.7799464049239894
Energy: 0.8192681161345309
Energy: 0.7532012688790228
Energy: 0.7764170725287469
Energy: 0.7532012688790228
Energy: 0.7973872283133889
Energy: 0.7548834043814941
Energy: 0.7717225919672109
Energy: 0.7548834043814941
Energy: 0.7697957406810486
Energy: 0.7532215753120808
Energy: 0.8185129259672056
Energy: 0.7532215753120808
Energy: 0.7462271762978429
Energy: 0.7515484843475078
Energy: 0.7860057221967286
Energy: 0.7515484843475078
Energy: 0.7434230292597196
Energy: 0.7410697495620429
Energy: 0.7167929978906413
Energy: 0.7410697495627069
Energy: 0.7452782808798928
Energy: 0.7423036607665143
Energy: 0.757607339888077
Energy: 0.7423036607665143
Energy: 0.7176654671699939
Energy: 0.7199682821759227
Energy: 0.7206655743833441
Energy: 0.7199682821765867
Energy: 0.7464772138909664
Energy: 0.721020417279114
Energy: 0.7201388276541629
Energy: 0.721020417279114
Energy: 0.7862475704402363
Energy: 0.7859781423014512
Energy: 0.7217189491725501
Energy: 0.7859781423007872
Energy: 0.7203412874789669
Energy: 0.7213808892379536
Energy: 0.7169017920956502
Energy: 0.7213808892379536
Energy: 0.7191642632514269
Energy: 0.7861605626162267
Energy: 0.7872093209059617
Energy: 0.7861605626155628
Energy: 0.7441535493990068
Energy: 0.7199175608720801
Energy: 0.7217936145114846
Energy: 0.7199175608707522
Energy: 0.7223924824385399
Energy: 0.7210419737957082
Energy: 0.7443779395983295
Energy: 0.7210419737957082
Energy: 0.7201705558123711
Energy: 0.7207895736687413
Energy: 0.7475945166876719
Energy: 0.7207895736674135
Energy: 0.7451225477697491
Energy: 0.7407618954406997
Energy: 0.743903818356986
Energy: 0.7407618954420276
Energy: 0.7853485737781241
Energy: 0.7434157995312541
Energy: 0.7472021404872535
Energy: 0.7434157995325821
Energy: 0.7767381448256827
Energy: 0.7529113617180994
Energy: 0.8199755254452509
Energy: 0.7529113617180994
Energy: 0.7725846683079406
Energy: 0.7513379496137911
Energy: 0.798437935601142
Energy: 0.7513379496137911
Energy: 0.8200338379157696
Energy: 0.7528508183045044
Energy: 0.7697385145020531
Energy: 0.7528508183045044
Energy: 0.7846827554541195
Energy: 0.7510502526816029
Energy: 0.7462292343074834
Energy: 0.7510502526822668
Energy: 0.7168111581867825
Energy: 0.7413139452717623
Energy: 0.7440555219881911
Energy: 0.7413139452710983
Energy: 0.7577531079380664
Energy: 0.7420911124206329
Energy: 0.7466019868289606
Energy: 0.7420911124212969
Energy: 0.7203001339934564
Energy: 0.7201656276978966
Energy: 0.7169506143258758
Energy: 0.7201656276978966
Energy: 0.7197115096517177
Energy: 0.7208389326851476
Energy: 0.7455203129287905
Energy: 0.7208389326851476
Energy: 0.7218657366061324
Energy: 0.7209899459267431
Energy: 0.7867166959852521
Energy: 0.7209899459274071

minimum gb energy = 0.7167929978906413 eV
minimum distance =  2.44400086258222 Angstroms
sigma value = 1


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

Energy: 1.1535486130050554
Energy: 0.8219675505988941
Energy: 0.8208020054819191
Energy: 0.7528709763486319
Energy: 0.7497655544073195
Energy: 0.8105707708838967
Energy: 0.7500311145688581
Energy: 0.8105707708876819
Energy: 0.8208986443723648
Energy: 0.8222248066957841
Energy: 1.059713013573673
Energy: 0.822224806692756
Energy: 0.7516980288659486
Energy: 0.7495102409733593
Energy: 0.7496424369429843
Energy: 0.7495102409703311
Energy: 0.7493127318280713
Energy: 0.7499842502619929
Energy: 0.7498795059381289
Energy: 0.7499842502642642
Energy: 0.7828900822454389
Energy: 0.8051011459333745
Energy: 0.7496289337034967
Energy: 0.8051011459295893
Energy: 0.7840009759767514
Energy: 0.7799800861155524
Energy: 0.8933879833399102
Energy: 0.7799800861140382
Energy: 0.786020582766462
Energy: 0.78262252518384
Energy: 0.8357071212984412
Energy: 0.782622525184597
Energy: 0.7826770438528073
Energy: 0.7937637574208836
Energy: 0.8217772366443572
Energy: 0.7937637574246686
Energy: 0.8340146871106751
Energy: 0.7960196519880844
Energy: 0.7855003936029793
Energy: 0.7960196519843337
Energy: 0.7501006218816443
Energy: 0.7796999632109864
Energy: 0.7881401224915051
Energy: 0.7796999632064443
Energy: 0.7946969790411758
Energy: 0.780501536815921
Energy: 0.7837154696040869
Energy: 0.780501536814407
Energy: 0.7510516656453408
Energy: 0.7498863674695199
Energy: 0.7494719754164055
Energy: 0.7498863674672488
Energy: 0.7500181319481649
Energy: 0.7506035203298094
Energy: 0.7791268102017187
Energy: 0.7506035203343515
Energy: 0.7485284595027424
Energy: 0.8216619690962821
Energy: 0.8205797415316379
Energy: 0.8216619690985532
Energy: 0.7498061169701402
Energy: 0.7503797999283166
Energy: 0.7494220569993095
Energy: 0.750379799933616
Energy: 0.8214251590405418
Energy: 0.8215837494489918
Energy: 0.7496912891274959
Energy: 0.8215837494444497
Energy: 0.7519210904178799
Energy: 0.7513004216819008
Energy: 0.7845634186578833
Energy: 0.7513004216856861
Energy: 0.7496106561869587
Energy: 0.752650383556572
Energy: 0.7517182089961916
Energy: 0.7526503835603572
Energy: 0.7831243309739726
Energy: 0.750409646886776
Energy: 0.7501499977457811
Energy: 0.7504096468829908
Energy: 0.7827825695577421
Energy: 0.8068120933803556
Energy: 0.8928556316518244
Energy: 0.8068120933818695
Energy: 0.78357078921307
Energy: 0.7814215433489472
Energy: 0.8249301374987933
Energy: 0.7814215433512183
Energy: 0.894487197553808
Energy: 0.7938858412229712
Energy: 0.8166521876689063
Energy: 0.7938858412191862
Energy: 0.8326730246968809
Energy: 0.794005582467113
Energy: 0.7851611657301798
Energy: 0.7940055824708981
Energy: 0.7500316212783014
Energy: 0.7800106892721356
Energy: 0.7887815334277756
Energy: 0.7800106892683848
Energy: 0.7950509037743503
Energy: 0.7801087782772023
Energy: 0.7840448119134419
Energy: 0.7801087782817443
Energy: 0.7508974695820454
Energy: 0.750040081028952
Energy: 0.7496612000870847
Energy: 0.750040081028952
Energy: 0.750420169512895
Energy: 0.7502423445369986
Energy: 0.7787838054305221
Energy: 0.7502423445400266
Energy: 0.7483171095001732
Energy: 0.7519410494005677
Energy: 0.8207288804714455
Energy: 0.7519410494005677

minimum gb energy = 0.7483171095001732 eV
minimum distance =  2.44708008075111 Angstroms
sigma value = 25


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

Energy: 1.105678318171962
Energy: 0.8572392418107777
Energy: 0.8571636416638873
Energy: 0.7770640427047274
Energy: 0.7827697704576245
Energy: 0.8407291632069381
Energy: 0.7825621796954921
Energy: 0.8407291632069381
Energy: 0.8565451930374561
Energy: 0.8567301571514613
Energy: 0.7809155200630249
Energy: 0.8567301571532213
Energy: 0.7853196070649292
Energy: 0.7827610354889972
Energy: 0.7824628131297737
Energy: 0.7827610354872372
Energy: 0.7810195039125142
Energy: 0.7822621275334906
Energy: 0.7823018782487189
Energy: 0.7822621275334906
Energy: 0.8400884320986642
Energy: 0.8473023839965069
Energy: 0.7814649899449869
Energy: 0.8473023839956267
Energy: 0.8070749950658114
Energy: 0.8274984408488152
Energy: 0.8450143299896682
Energy: 0.8274984408470552
Energy: 0.8062632499463889
Energy: 0.8290318378709881
Energy: 0.8780214147513971
Energy: 0.8290318378718681
Energy: 0.8477352657402758
Energy: 0.827111296556052
Energy: 0.789196646966894
Energy: 0.827111296556052
Energy: 0.8400434048596899
Energy: 0.8279000820448341
Energy: 0.7820542936859117
Energy: 0.8279000820465942
Energy: 0.7743751789616127
Energy: 0.7825252959625439
Energy: 0.7814359754932024
Energy: 0.782525295965184
Energy: 0.7903801582784541
Energy: 0.782654774817196
Energy: 0.7818852483145223
Energy: 0.782654774817196
Energy: 0.856406471981934
Energy: 0.8574061761648442
Energy: 0.7733334327179564
Energy: 0.8574061761657242
Energy: 0.7821021380673756
Energy: 0.7834034790571953
Energy: 0.7893352015117987
Energy: 0.7834034790571953
Energy: 0.7810830902560224
Energy: 0.8571043486404007
Energy: 0.8587643525676052
Energy: 0.8571043486395207
Energy: 0.8054627883621684
Energy: 0.7824682815867429
Energy: 0.7852697462050962
Energy: 0.782468281587623
Energy: 0.781997474994145
Energy: 0.7854575961055402
Energy: 0.7805783967809956
Energy: 0.7854575961055402
Energy: 0.7817136031151304
Energy: 0.7828290488684615
Energy: 0.8406559419186559
Energy: 0.7828290488684615
Energy: 0.8453323706193228
Energy: 0.8294468536534862
Energy: 0.8098470032407691
Energy: 0.8294468536534862
Energy: 0.8795778828173849
Energy: 0.8286057369377113
Energy: 0.8080315201091233
Energy: 0.8286057369377113
Energy: 0.7884630057853905
Energy: 0.8272499080834554
Energy: 0.8467898050380029
Energy: 0.8272499080834554
Energy: 0.7885756831360541
Energy: 0.8273158912990586
Energy: 0.841082459797413
Energy: 0.8273158912990586
Energy: 0.7817194893426933
Energy: 0.7819786869821567
Energy: 0.7734995133091803
Energy: 0.7819786869821567
Energy: 0.7817074037753959
Energy: 0.7821391851213326
Energy: 0.7737939936436424
Energy: 0.7821391851213326
Energy: 0.7733669630523414
Energy: 0.785365552707614
Energy: 0.8578323750237113
Energy: 0.785365552707614

minimum gb energy = 0.7733334327179564 eV
minimum distance =  2.44908692622347 Angstroms
sigma value = 9


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

Energy: 1.0299832823748734
Energy: 0.8923272026056415
Energy: 0.8921359613836863
Energy: 0.799459081754895
Energy: 0.8315037135500661
Energy: 0.8661541948710489
Energy: 0.8319261310778269
Energy: 0.8661541948710489
Energy: 0.8914891062849319
Energy: 0.8917015651149711
Energy: 0.8189646131627513
Energy: 0.8917015651149711
Energy: 0.82113326501702
Energy: 0.8194527925251736
Energy: 0.8187414788062379
Energy: 0.8194527925230739
Energy: 0.8294438541208909
Energy: 0.8192444731211439
Energy: 0.8193772008605529
Energy: 0.8192444731190441
Energy: 0.8878434220592446
Energy: 0.8205024195254867
Energy: 0.8196513791106929
Energy: 0.8205024195244368
Energy: 0.8404323408991192
Energy: 0.8840147790167565
Energy: 0.8316738772063645
Energy: 0.8840147790125572
Energy: 0.8331422190144034
Energy: 0.8847595735516486
Energy: 0.8933463939971085
Energy: 0.8847595735505988
Energy: 0.8182195789610792
Energy: 0.8192188611436163
Energy: 0.7930549713922286
Energy: 0.8192188611415168
Energy: 0.819041316311449
Energy: 0.8200471069892489
Energy: 0.7928609580834477
Energy: 0.8200471069892489
Energy: 0.7922050571877748
Energy: 0.891947041665886
Energy: 0.8909838185696184
Energy: 0.891947041665886
Energy: 0.8464316557358341
Energy: 0.8201710119026052
Energy: 0.8191501886122512
Energy: 0.8201710119026052
Energy: 0.8916554466589686
Energy: 0.8920986070329763
Energy: 0.8181364248331882
Energy: 0.8920986070319264
Energy: 0.8222947414233038
Energy: 0.8196652460213691
Energy: 0.8172244203927519
Energy: 0.8196652460213691
Energy: 0.8292347873405375
Energy: 0.8225675991143809
Energy: 0.8191867790257209
Energy: 0.8225675991164805
Energy: 0.8240231370638577
Energy: 0.8193008889264807
Energy: 0.8194785849231668
Energy: 0.819300888924381
Energy: 0.8416052001084122
Energy: 0.8840178939355152
Energy: 0.8321279646620379
Energy: 0.8840178939355152
Energy: 0.8415786187838862
Energy: 0.8847197864401993
Energy: 0.8334851325272636
Energy: 0.8847197864401993
Energy: 0.8179271389575898
Energy: 0.8193362172119929
Energy: 0.7926474958696117
Energy: 0.8193362172119929
Energy: 0.8190445711750498
Energy: 0.8197683735899509
Energy: 0.7925808658415322
Energy: 0.8197683735899509
Energy: 0.7917262977878856
Energy: 0.8221438288292061
Energy: 0.8932445137679479
Energy: 0.8221438288302559

minimum gb energy = 0.7917262977878856 eV
minimum distance =  2.45013412999822 Angstroms
sigma value = 25


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

Energy: 0.9206939940392999
Energy: 0.923437180338697
Energy: 0.9242299391667101
Energy: 0.8139589063997825
Energy: 0.8267690099277889
Energy: 0.8614540030497936
Energy: 0.8258743514079703
Energy: 0.8614540030497936
Energy: 0.9233489131542549
Energy: 0.9235369882678803
Energy: 0.8069544257150983
Energy: 0.923536988266582
Energy: 0.8097755173590883
Energy: 0.8617742079167111
Energy: 0.8255268406323278
Energy: 0.8617742079167111
Energy: 0.8613096276684691
Energy: 0.8710097981682056
Energy: 0.8259550639236252
Energy: 0.8710097981669072
Energy: 0.8089434927827908
Energy: 0.8664671125083472
Energy: 0.8250746511046202
Energy: 0.8664671125005574
Energy: 0.8061805178781613
Energy: 0.8683767656993817
Energy: 0.8618574738644009
Energy: 0.8683767656967851
Energy: 0.806396780939117
Energy: 0.826356069617909
Energy: 0.8280191701337414
Energy: 0.8263560701746162
Energy: 0.9228907730626886
Energy: 0.9234428961474564
Energy: 0.8084241689620799
Energy: 0.9234428961487547
Energy: 0.8276573468061358
Energy: 0.8270879600784161
Energy: 0.8061150502024198
Energy: 0.8270879600849077
Energy: 0.8074762186991126
Energy: 0.9242094850226877
Energy: 0.9237517744518862
Energy: 0.9242094850226877
Energy: 0.808384399240308
Energy: 0.8631528013920053
Energy: 0.9250943488936346
Energy: 0.8631528013920053
Energy: 0.8256542894320544
Energy: 0.8091914302766787
Energy: 0.8614522133552625
Energy: 0.8091914302014361
Energy: 0.8265691804737373
Energy: 0.8711310596828686
Energy: 0.8105492714964131
Energy: 0.8711310596815705
Energy: 0.863716629743558
Energy: 0.8255856918383542
Energy: 0.8059476519333352
Energy: 0.8255856918760051
Energy: 0.8253107180932518
Energy: 0.8681339560044895
Energy: 0.8060905061070993
Energy: 0.8681339560005944
Energy: 0.8066292593369232
Energy: 0.8093531500531992
Energy: 0.9256609806157872
Energy: 0.8093531500285609

minimum gb energy = 0.8059476519333352 eV
minimum distance =  2.51378535675462 Angstroms
sigma value = 17


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

Energy: 1.3161308477577527
Energy: 1.009829550701098
Energy: 1.0079011376884899
Energy: 0.9385714632588172
Energy: 0.8542841861757622
Energy: 0.8707216972849855
Energy: 0.8692056724428081
Energy: 0.8707216972849855
Energy: 0.8812498048449304
Energy: 0.8809180296841079
Energy: 0.9169794672997852
Energy: 0.8809180296826373
Energy: 0.8706627392403916
Energy: 0.9155892049293328
Energy: 0.8694651215269126
Energy: 0.9155892049285975
Energy: 0.8708838349410803
Energy: 0.9215802166604145
Energy: 0.8807713094818083
Energy: 0.9215802166589439
Energy: 0.8716452446124451
Energy: 0.9372325938735604
Energy: 0.8702306873849022
Energy: 0.9372325938735604
Energy: 0.9164943769491085
Energy: 0.8795735925226786
Energy: 0.88078126964738
Energy: 0.8795735925219433
Energy: 0.9177886539949711
Energy: 0.8698722494695323
Energy: 0.8372488221959323
Energy: 0.869872249478356
Energy: 1.0122305845788688
Energy: 1.0094320874006109
Energy: 0.9170325995473491
Energy: 1.0094320874013463
Energy: 1.0084169858420187
Energy: 0.9155256682301316
Energy: 0.8692823341756724
Energy: 0.9155256682316022
Energy: 0.869534203566052
Energy: 0.8371123277424636
Energy: 0.8341020276065865
Energy: 0.8371123240962902
Energy: 0.9200824788678553
Energy: 0.85549249744751
Energy: 0.852499940205534
Energy: 0.85549249744751
Energy: 0.916173017657691
Energy: 0.8555623021706064
Energy: 0.8545861334290185
Energy: 0.8555623021713418
Energy: 0.9180967241344125
Energy: 0.8700760615582778
Energy: 0.8349691293212406
Energy: 0.8700760615590131
Energy: 1.0119981982323298
Energy: 0.9417286078732763
Energy: 0.918496940884224
Energy: 0.9417286078732763
Energy: 1.010022260087117
Energy: 0.9294286620024595
Energy: 0.9204859888360898
Energy: 0.929428662000989
Energy: 0.9180062373726706
Energy: 0.8698111582683173
Energy: 0.8798564593441017
Energy: 0.8698111582690526
Energy: 0.918820387419849
Energy: 0.8697710125410355
Energy: 0.8796165929247577
Energy: 0.8697710125410355
Energy: 0.8756148666404012
Energy: 0.9379090747078725
Energy: 0.8702590539935309
Energy: 0.9379090747078725
Energy: 0.885547603733881
Energy: 0.9218184708317202
Energy: 0.8705581207973039
Energy: 0.9218184708324554
Energy: 0.8732536070590999
Energy: 0.8701926400618064
Energy: 0.9167570160945366
Energy: 0.8701926400618064
Energy: 0.8801423495397398
Energy: 0.880760572542254
Energy: 0.9162135239852198
Energy: 0.8807605725429893
Energy: 0.8690451423867017
Energy: 0.9138851475794982
Energy: 0.8708169333890973
Energy: 0.9138851475809688
Energy: 0.9171233661025768
Energy: 1.009539025169906
Energy: 1.0094866760633328
Energy: 1.009539025169906
Energy: 0.8388269624546033
Energy: 0.8703283363469415
Energy: 0.9190780141094457
Energy: 0.8703283363469415
Energy: 0.8549321719203979
Energy: 0.8557379375392773
Energy: 0.8701602374019068
Energy: 0.8557379375400126
Energy: 0.8335535226850528
Energy: 0.8400219148865157
Energy: 0.9186478385381543
Energy: 0.8400219148865157
Energy: 0.8518339944271125
Energy: 0.8555225735761218
Energy: 0.9171280663484274
Energy: 0.8555225735783277
Energy: 0.8536543929701093
Energy: 0.8704358168123206
Energy: 0.9160062508052751
Energy: 0.87043581681085
Energy: 0.9151316721853778
Energy: 1.0092675229816772
Energy: 1.00813707383443
Energy: 1.0092675229824126

minimum gb energy = 0.8335535226850528 eV
minimum distance =  2.47584056800377 Angstroms
sigma value = 53


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

Energy: 1.189638572387815
Energy: 0.9228114180341354
Energy: 0.9229590017445071
Energy: 0.7754505255733706
Energy: 0.9246421797757446
Energy: 0.8141306032900631
Energy: 0.924678322727319
Energy: 0.8141306032900631
Energy: 0.9218023126216455
Energy: 0.9224340713552848
Energy: 0.9283678017577198
Energy: 0.9224340713552848
Energy: 0.9221018159196552
Energy: 0.8146447736916104
Energy: 0.9203074183863189
Energy: 0.8146447736916104
Energy: 0.9351319835358975
Energy: 0.8144606401826084
Energy: 0.7703264413993288
Energy: 0.8144606401826084
Energy: 0.9195231221693018
Energy: 0.8158080445002329
Energy: 0.7731082265190502
Energy: 0.8158080445002329
Energy: 1.0689937110129002
Energy: 0.9223374027777563
Energy: 0.9205980268067281
Energy: 0.9223374027777563
Energy: 1.0679188598876244
Energy: 0.815743110087349
Energy: 0.9225887374266142
Energy: 0.8157431100856561
Energy: 0.9225551832969701
Energy: 0.9229356551951512
Energy: 0.9312173827694549
Energy: 0.9229356551934584
Energy: 0.9245650341172456
Energy: 0.8155008341486207
Energy: 0.9230894437354407
Energy: 0.815500834146928
Energy: 0.9338198691546781
Energy: 0.8176647180329816
Energy: 0.7740548549849092
Energy: 0.8176647180329816
Energy: 0.9252123090551633
Energy: 0.814246822989409
Energy: 0.7667929984500625
Energy: 0.814246822989409
Energy: 1.067560151617153
Energy: 0.8163382166663657
Energy: 0.9234123081190724
Energy: 0.8163382166680585

minimum gb energy = 0.7667929984500625 eV
minimum distance =  2.50429375775506 Angstroms
sigma value = 9


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

Energy: 1.1699094751361636
Energy: 1.0450661642886152
Energy: 1.0430832529832095
Energy: 0.9737338673958099
Energy: 0.8516418348733976
Energy: 0.849289705924988
Energy: 1.0598517726090573
Energy: 0.8492897059256144
Energy: 0.8477090946889426
Energy: 0.8478988999518952
Energy: 1.038438186192456
Energy: 0.8478988999525217
Energy: 0.847772206213985
Energy: 0.848593865104583
Energy: 1.055561229345274
Energy: 0.8485938651052096
Energy: 0.8498415008694137
Energy: 0.8503626206858402
Energy: 1.1229265344906008
Energy: 0.850362620683334
Energy: 0.8499610830040293
Energy: 0.8515069196543347
Energy: 1.1205969982087183
Energy: 0.8515069196543347
Energy: 1.0545643068824828
Energy: 1.0415318691461959
Energy: 1.0498073286391127
Energy: 1.0415318691474489
Energy: 1.053726194447286
Energy: 0.8502491947202343
Energy: 1.044296656702151
Energy: 0.8502491947196077
Energy: 0.9049841919236409
Energy: 0.9386406265494447
Energy: 0.9113324629585035
Energy: 0.9386406265500714
Energy: 0.8509442526506564
Energy: 0.940258926036061
Energy: 1.040079814242259
Energy: 0.940258926037314
Energy: 0.9066383330891686
Energy: 0.8857347768745325
Energy: 0.9816554257302008
Energy: 0.8857347768764121
Energy: 0.9113675773543591
Energy: 0.908900507955804
Energy: 1.1144528064601
Energy: 0.908900507955804
Energy: 1.0548166167373743
Energy: 0.8862050447524905
Energy: 0.9188489633425597
Energy: 0.8862050447512375
Energy: 1.0544473983485185
Energy: 0.906518353153291
Energy: 0.906625338957439
Energy: 0.9065183531539175
Energy: 1.0403126936847267
Energy: 0.8881888255088729
Energy: 0.9085726902392371
Energy: 0.8881888255094995
Energy: 0.9627619250040595
Energy: 0.9380052190487154
Energy: 0.9090990224742871
Energy: 0.9380052190487154
Energy: 1.0469289304825933
Energy: 0.8507380721269973
Energy: 0.9059405027139014
Energy: 0.8507380721282504
Energy: 1.0442740361393772
Energy: 1.0427890599954814
Energy: 1.1144237114831095
Energy: 1.0427890599948548
Energy: 1.0591151578628062
Energy: 0.8490725063928446
Energy: 0.9094807713995863
Energy: 0.8490725063966038
Energy: 1.0831596609789667
Energy: 0.8488118060693478
Energy: 0.8482404817208713
Energy: 0.8488118060693478
Energy: 1.0550000224029736
Energy: 0.848616789025918
Energy: 0.847727853062621
Energy: 0.848616789025918
Energy: 1.1201236699152215
Energy: 0.8509856951072393
Energy: 0.85089478605837
Energy: 0.8509856951084923
Energy: 1.1221268054481512
Energy: 0.850341057211916
Energy: 0.8488437550120261
Energy: 0.850341057210663
Energy: 1.0522223431295172
Energy: 1.042397388419422
Energy: 1.0549917946190754
Energy: 1.042397388418169
Energy: 1.0432506619687192
Energy: 0.9394355240319966
Energy: 1.0540869532227048
Energy: 0.9394355240332496
Energy: 0.9124506678976766
Energy: 0.8515819406397586
Energy: 0.9053879268362215
Energy: 0.8515819406403851
Energy: 1.040815470183768
Energy: 0.9418965849190619
Energy: 0.8522130201298578
Energy: 0.9418965849203148
Energy: 0.9835205645565257
Energy: 0.8830165250715674
Energy: 0.9057550613615908
Energy: 0.8830165250721939
Energy: 1.114287998097177
Energy: 0.9103717819883179
Energy: 0.9132650390557775
Energy: 0.9103717819914505
Energy: 0.9199006960349149
Energy: 0.8822377567619437
Energy: 1.0538537492595672
Energy: 0.8822377567631967
Energy: 0.9074475410134745
Energy: 0.9065513070308517
Energy: 1.0494226355288705
Energy: 0.9065513070321047
Energy: 0.9075755885386735
Energy: 0.8841803170866509
Energy: 1.0407924091096024
Energy: 0.8841803170866509
Energy: 0.910713434691828
Energy: 0.9386697684724558
Energy: 0.9752128170743228
Energy: 0.9386697684730824
Energy: 0.907967307010688
Energy: 0.8518893543503938
Energy: 0.9628800223070209
Energy: 0.8518893543516469
Energy: 1.11379105530977
Energy: 1.0425048129013172
Energy: 1.04325308075809
Energy: 1.0425048128994376

minimum gb energy = 0.8477090946889426 eV
minimum distance =  2.46969691760378 Angstroms
sigma value = 73


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

Energy: 1.252443475375709
Energy: 0.9933197258484868
Energy: 0.9934174090501197
Energy: 0.9177902105939852
Energy: 0.8768348987797453
Energy: 0.8666931934916184
Energy: 0.9906893028720737
Energy: 0.8666931934916184
Energy: 0.8654929850527818
Energy: 0.8654538402883616
Energy: 1.0247794388418816
Energy: 0.8654538402873676
Energy: 0.8640992176585096
Energy: 0.8663883385230127
Energy: 1.1087530583847223
Energy: 0.8663883385249782
Energy: 0.8703494749478131
Energy: 0.8733650640149664
Energy: 1.094509597092079
Energy: 0.8733650640169545
Energy: 0.8660428303862807
Energy: 0.8742253718089595
Energy: 1.0942540449165614
Energy: 0.8742253718109477
Energy: 0.9700912843076622
Energy: 1.0296104841328308
Energy: 1.034423462017004
Energy: 1.0296104841328308
Energy: 0.9704519338037968
Energy: 0.9520691435913012
Energy: 1.0303749294862112
Energy: 0.9520691435922952
Energy: 0.9148714811809527
Energy: 0.8472544217095488
Energy: 1.020263556365136
Energy: 0.8472544217095488
Energy: 0.9092401154489881
Energy: 0.8834317188308697
Energy: 1.020022001466668
Energy: 0.8834317188308697
Energy: 0.8996990041605826
Energy: 0.8490604119304668
Energy: 0.8611321562128402
Energy: 0.8490604119324549
Energy: 0.8891932885368229
Energy: 0.8469145933129495
Energy: 1.0823997853026055
Energy: 0.8469145933169256
Energy: 1.0243103277686334
Energy: 0.9005958276509312
Energy: 0.9071499062545647
Energy: 0.9005958276489431
Energy: 1.027824051049024
Energy: 0.9022575494694862
Energy: 0.9019989891189454
Energy: 0.9022575494694862
Energy: 1.0317768230689521
Energy: 0.925288305983792
Energy: 0.8991789012719182
Energy: 0.925288305984786
Energy: 1.0948092047060711
Energy: 0.9072368970296216
Energy: 0.9071871493088344
Energy: 0.9072368970316097
Energy: 1.0963754171041726
Energy: 0.9375466021047073
Energy: 0.9125881699650967
Energy: 0.9375466021047073
Energy: 0.9957035582948844
Energy: 0.9956631913625044
Energy: 0.969858615898197
Energy: 0.9956631913644698
Energy: 0.9902447917271858
Energy: 0.9225096577836309
Energy: 0.9716920480021025
Energy: 0.9225096577826369
Energy: 0.9875013208465953
Energy: 0.9188295984882697
Energy: 0.9833137807401537
Energy: 0.9188295984872757
Energy: 0.9901617750998076
Energy: 0.9253525475970464
Energy: 0.9089025191506026
Energy: 0.9253525475970464
Energy: 1.0931278709218712
Energy: 0.919076680858513
Energy: 0.9940100716671905
Energy: 0.919076680859507

minimum gb energy = 0.8469145933129495 eV
minimum distance =  2.44872393604997 Angstroms
sigma value = 7


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

Energy: 1.4576267311738125
Energy: 0.9931046854678159
Energy: 0.9929936277403982
Energy: 0.8750164694414463
Energy: 0.8724142975725679
Energy: 0.8694488138514205
Energy: 1.066234350039247
Energy: 0.8694488138465004
Energy: 0.8610504362955896
Energy: 0.8616686998945413
Energy: 0.9649625323968255
Energy: 0.8616686998938384
Energy: 0.8617866101344486
Energy: 0.861854763102453
Energy: 1.0682359142387057
Energy: 0.8618547631031559
Energy: 0.8701900931624408
Energy: 0.8721330395114291
Energy: 1.048274810621773
Energy: 0.8721330395072117
Energy: 0.8693169278111003
Energy: 0.8666370487019222
Energy: 1.0478965837787433
Energy: 0.8666370487054365
Energy: 1.0702451906854136
Energy: 0.8621203568925561
Energy: 0.8650970133956972
Energy: 0.8621203568960705
Energy: 1.0666885642539436
Energy: 0.8643155606357584
Energy: 0.8718464559512216
Energy: 0.8643155606350554
Energy: 1.067500987539441
Energy: 0.8627734383513932
Energy: 0.8640492733701102
Energy: 0.862773438352096
Energy: 1.066335120900723
Energy: 0.8628556462974376
Energy: 0.8637214766250726
Energy: 0.8628556463002491
Energy: 0.9785202896191338
Energy: 0.9188911646991089
Energy: 0.962227991226364
Energy: 0.9188911647012176
Energy: 0.9782309920907927
Energy: 0.9746382736647647
Energy: 0.9644117957938285
Energy: 0.9746382736612502
Energy: 0.964184531867854
Energy: 0.9129294742036979
Energy: 0.9658986926842644
Energy: 0.9129294742051037
Energy: 0.9635898308494517
Energy: 0.9111103957623135
Energy: 0.8733025480669333
Energy: 0.9111103957559873
Energy: 0.9774212366120877
Energy: 0.9124347080193562
Energy: 0.8739554890672011
Energy: 0.9124347080214649
Energy: 0.8766390510829979
Energy: 0.9730352552420077
Energy: 0.9784485772062216
Energy: 0.9730352552441165
Energy: 1.0748087590357454
Energy: 0.9196312656296781
Energy: 0.9783322095488659
Energy: 0.9196312656289752
Energy: 0.863846578224237
Energy: 0.8636572228712541
Energy: 0.9674727148451691
Energy: 0.8636572228733628
Energy: 0.8637234031732204
Energy: 0.8626301218525027
Energy: 1.0678693211092192
Energy: 0.8626301218539084
Energy: 0.8726528293711021
Energy: 0.8649639919593666
Energy: 1.0816660735931318
Energy: 0.8649639919586638
Energy: 0.8655129096391233
Energy: 0.8613194630750918
Energy: 1.0516768296585508
Energy: 0.861319463068063
Energy: 1.0691135815220774
Energy: 0.8667226310655833
Energy: 0.8701639276512255
Energy: 0.8667226310683949
Energy: 1.0690165255067745
Energy: 0.8686408360271088
Energy: 0.8704807341080272
Energy: 0.8686408360285146
Energy: 1.0695636756886995
Energy: 0.8621253407591142
Energy: 0.8619011206520141
Energy: 0.8621253407541939
Energy: 1.054885060653525
Energy: 0.8618113670579736
Energy: 0.8618084565087067
Energy: 0.8618113670593796
Energy: 1.0550009406757923
Energy: 0.8690476219867973
Energy: 0.8794407903848276
Energy: 0.8690476219924204
Energy: 0.9934756038804213
Energy: 0.9925580816530847
Energy: 1.2624252927316277
Energy: 0.9925580816495702
Energy: 0.9694225148744019
Energy: 0.9163715052237261
Energy: 0.8794413981508251
Energy: 0.9163715052244289
Energy: 0.9661988646900191
Energy: 0.9132656348731514
Energy: 0.9658296330731149
Energy: 0.9132656348647167
Energy: 0.9740022831011819
Energy: 0.9757476281973121
Energy: 0.87306788798018
Energy: 0.9757476281966092
Energy: 1.075208517565792
Energy: 0.9680269696053767
Energy: 0.9825358915729514
Energy: 0.9680269696095619

minimum gb energy = 0.8610504362955896 eV
minimum distance =  2.42251884608267 Angstroms
sigma value = 29


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

Energy: 0.8167513285322492
Energy: 0.9442906394226396
Energy: 0.904327288663777
Energy: 0.8187502530558596
Energy: 0.8273038916354797
Energy: 0.872198679928652
Energy: 0.8268325630234126
Energy: 0.8721986799296041
Energy: 0.8200120496851171
Energy: 0.8599220929282564
Energy: 0.818462947414198
Energy: 0.8599220929282564
Energy: 0.8142487502487935
Energy: 0.8209813258705091
Energy: 0.8281060986835895
Energy: 0.8209813258705091
Energy: 0.8176111181174748
Energy: 0.8246355473244483
Energy: 0.8126980390339199
Energy: 0.8246355473234962
Energy: 0.8278702173306108
Energy: 0.8744385280739376
Energy: 0.8139845507906076
Energy: 0.8744385280739376
Energy: 0.8113948710594728
Energy: 0.85817706434683
Energy: 0.8219460195374679
Energy: 0.8581770643473197
Energy: 0.8238028911778154
Energy: 0.8253569256248366
Energy: 0.8226399131269534
Energy: 0.8253569256212728
Energy: 0.8128532065891888
Energy: 0.8235698306754353
Energy: 0.8219392271251387
Energy: 0.8235698306749457

minimum gb energy = 0.8113948710594728 eV
minimum distance =  2.4877326818912 Angstroms
sigma value = 5


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

Energy: 1.2338951181923183
Energy: 0.9479484659158958
Energy: 0.9499546537588942
Energy: 0.8171403983453701
Energy: 0.905150131672749
Energy: 0.8299059043105524
Energy: 0.9617201159948151
Energy: 0.8299059043112164
Energy: 0.9719758717003932
Energy: 0.8939668598084664
Energy: 0.975215416926032
Energy: 0.8939668598111223
Energy: 0.9165127960490915
Energy: 0.8307716320292661
Energy: 0.9772329052525267
Energy: 0.8307716320286022
Energy: 0.907441972644162
Energy: 0.8301085952136382
Energy: 0.9203157894434534
Energy: 0.8301085952162942
Energy: 0.8487521208441241
Energy: 0.8488792190063891
Energy: 0.9201822056046384
Energy: 0.8488792190063891
Energy: 0.8292604306409515
Energy: 0.8302511791915477
Energy: 0.9723599177301858
Energy: 0.8302511791908838
Energy: 0.8363429113712594
Energy: 0.8307991424795476
Energy: 1.0407891337188828
Energy: 0.8307991424768918
Energy: 0.8762380284364857
Energy: 0.8432695078369346
Energy: 1.0167656727403196
Energy: 0.8432695078389264
Energy: 1.0675592687846638
Energy: 0.8097134775893646
Energy: 0.816920591012736
Energy: 0.8097134775887006
Energy: 0.8763205624135179
Energy: 0.8091172500693323
Energy: 0.8118953888752144
Energy: 0.8091172500693323
Energy: 1.030816401864962
Energy: 0.8136301339843555
Energy: 0.8160383167156576
Energy: 0.8136301339836916
Energy: 1.036980698227641
Energy: 0.8089537413584397
Energy: 0.8260200653016403
Energy: 0.8089537413604314
Energy: 0.8612680711574174
Energy: 0.7957344280863742
Energy: 1.032009229323266
Energy: 0.795734428091022
Energy: 0.8696804302184512
Energy: 0.7996909913257503
Energy: 1.0288401959559925
Energy: 0.7996909913264142
Energy: 0.8704734308048152
Energy: 0.7948676908010432
Energy: 0.8560581053828876
Energy: 0.7948676907990513
Energy: 0.8481250029603377
Energy: 0.8589119207204292
Energy: 0.8524666231067578
Energy: 0.8589119207157815
Energy: 0.995433531888132
Energy: 0.7956003107121147
Energy: 0.8212097949775644
Energy: 0.7956003107141066
Energy: 1.0101200276443332
Energy: 0.862853969474795
Energy: 0.8621346621840265
Energy: 0.8628539694708113
Energy: 0.983931078085161
Energy: 0.9181056833909589
Energy: 0.917232281626534
Energy: 0.9181056833936146
Energy: 0.9339787053176563
Energy: 0.8398965754461221
Energy: 0.893793175557587
Energy: 0.8398965754461221
Energy: 0.9198329743433117
Energy: 0.8380637263054714
Energy: 0.8382581602618472
Energy: 0.8380637263074633
Energy: 0.9709068967594138
Energy: 0.837452291816225
Energy: 0.8373795575939496
Energy: 0.8374522918195448
Energy: 1.0376215543301774
Energy: 0.8384975207674427
Energy: 0.8441781653796864
Energy: 0.8384975207700984
Energy: 1.019372460560315
Energy: 0.8012878512591973
Energy: 0.8810635011059624
Energy: 0.8012878512578695
Energy: 0.8022513299494672
Energy: 0.8023596400796541
Energy: 1.068206235247581
Energy: 0.8023596400796541
Energy: 0.8098549423307141
Energy: 0.8016948387892032
Energy: 0.8621050968586472
Energy: 0.8016948387872114
Energy: 0.8119598645991568
Energy: 0.8021704736473358
Energy: 0.861067700515262
Energy: 0.8021704736460078
Energy: 0.8236536244010492
Energy: 0.8622596061630693
Energy: 1.0393756183666796
Energy: 0.8622596061630693
Energy: 1.029694525403563
Energy: 0.8376923853806991
Energy: 0.8897976626742852
Energy: 0.8376923853806991
Energy: 1.0302685247998695
Energy: 0.8292569720057318
Energy: 0.8311538252804358
Energy: 0.8292569720050679
Energy: 0.9041910750938231
Energy: 0.8283991898913121
Energy: 0.8307747780332555
Energy: 0.8283991898946319
Energy: 0.8400272336306918
Energy: 0.8292283692332953
Energy: 0.8307319554036616
Energy: 0.8292283692346233

minimum gb energy = 0.7948676907990513 eV
minimum distance =  2.44328733143835 Angstroms
sigma value = 1


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

Energy: 1.2173973736472279
Energy: 0.787477015659879
Energy: 0.9225264148194656
Energy: 0.766423027965853
Energy: 0.7866214355690411
Energy: 0.7872803264393763
Energy: 0.8067680042878628
Energy: 0.7872803264384584
Energy: 0.8071203267616388
Energy: 0.8699165089596406
Energy: 0.8070256634952568
Energy: 0.8699165089614767
Energy: 0.8176025363125691
Energy: 0.7883854798830264
Energy: 0.7888084759731748
Energy: 0.7883854798839445
Energy: 0.7879754325889599
Energy: 0.7868040779251702
Energy: 0.8236398747619241
Energy: 0.7868040779224161
Energy: 0.7868537869814788
Energy: 0.8066872907811141
Energy: 0.8241331092124606
Energy: 0.8066872907829502
Energy: 0.7850582692674369
Energy: 0.7857438027070515
Energy: 0.7898027235009285
Energy: 0.7857438027070515
Energy: 0.7870375017424674
Energy: 0.7879743821136763
Energy: 0.7565534143008444
Energy: 0.787974382087992
Energy: 0.956694432398409
Energy: 0.811795364034096
Energy: 0.7553561429792244
Energy: 0.811795364034096
Energy: 0.8233955018521547
Energy: 0.7888880243584089
Energy: 0.7876897689788186
Energy: 0.7888880243611629
Energy: 0.7902281410421924
Energy: 0.7860517345879026
Energy: 0.7858133517401555
Energy: 0.7860517345888206
Energy: 0.7518445192356101
Energy: 0.7934024805165808
Energy: 0.7868674391951105
Energy: 0.7934024805138267
Energy: 0.7503327575363866
Energy: 0.7862622059954879
Energy: 0.7871631581898481
Energy: 0.7862622059936518
Energy: 0.7880153501543119
Energy: 0.7865604772021365
Energy: 0.8087722205877572
Energy: 0.7865604772021365
Energy: 0.8210567035174923
Energy: 0.8689764042374071
Energy: 0.8064422741127486
Energy: 0.8689764042374071
Energy: 0.8235162007359881
Energy: 0.7870933775821181
Energy: 0.8107801405822997
Energy: 0.7870933775775278
Energy: 0.7976625089933665
Energy: 0.7877146062513471
Energy: 0.8239297504763592
Energy: 0.7877146062531833
Energy: 0.7932014434106452
Energy: 0.788195447854312
Energy: 0.8139311134578396
Energy: 0.7881954478533939
Energy: 0.7857372609781951
Energy: 0.786963714733326
Energy: 0.7549884782772486
Energy: 0.786963714732408
Energy: 0.7871042394178525
Energy: 0.8050314728523634
Energy: 0.7517200633277478
Energy: 0.8050314728523634
Energy: 0.8038660908429723
Energy: 0.8126372508885606
Energy: 0.789618950882306
Energy: 0.8126372508858065
Energy: 0.8043178178355302
Energy: 0.787248708966423
Energy: 0.7905640937927157
Energy: 0.7872487089691771
Energy: 0.7887134751713244
Energy: 0.7858024154440548
Energy: 0.7864114255378681
Energy: 0.7858024154449729
Energy: 0.7503150792280505
Energy: 0.7866807721996414
Energy: 0.787331830666371
Energy: 0.7866807722005595

minimum gb energy = 0.7503150792280505 eV
minimum distance =  2.46285716532778 Angstroms
sigma value = 17


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

Energy: 1.2996078425535156
Energy: 0.7861022440228442
Energy: 0.931728238620731
Energy: 0.7696510449338486
Energy: 0.8069487534075214
Energy: 0.7833149972861897
Energy: 0.9125173344857898
Energy: 0.783314997287892
Energy: 1.0101033029553719
Energy: 0.8155603703187881
Energy: 0.9108290304894049
Energy: 0.8155603703210579
Energy: 1.0176244505480474
Energy: 0.8170809771203659
Energy: 0.9016341725142349
Energy: 0.8170809771203659
Energy: 0.8564957141870836
Energy: 0.7615120653320198
Energy: 0.8958030116417293
Energy: 0.7615120653337221
Energy: 0.7624869312073778
Energy: 0.7616220164863159
Energy: 0.8666159645077026
Energy: 0.7616220164885855
Energy: 0.7621809529162805
Energy: 0.7614057881258958
Energy: 0.8279003417877976
Energy: 0.7614057881247609
Energy: 0.7689598472383053
Energy: 0.7631768748037693
Energy: 0.772193125112814
Energy: 0.7631768748032018
Energy: 0.8612905878925928
Energy: 0.7626532131391349
Energy: 0.9510945365785674
Energy: 0.7626532131397024
Energy: 0.9106335283237634
Energy: 0.8169152293368369
Energy: 0.8954758346353118
Energy: 0.8169152293113028
Energy: 0.85845546752464
Energy: 0.7828615860432185
Energy: 0.7996882564694852
Energy: 0.7828615860415163
Energy: 0.8842605417056606
Energy: 0.7839451189814014
Energy: 0.8931183861108374
Energy: 0.783945118982536
Energy: 0.8928985222375438
Energy: 0.7817007485465276
Energy: 0.7833999548590374
Energy: 0.7817007485419882
Energy: 0.8019140452206579
Energy: 0.7815336950385692
Energy: 0.7834897739816503
Energy: 0.7815336950391366
Energy: 1.0118365464223589
Energy: 0.7830119890581164
Energy: 0.7907497712296457
Energy: 0.783011989058684
Energy: 0.7684654101436383
Energy: 0.7934275151014146
Energy: 0.7858781442303941
Energy: 0.7934275151019821
Energy: 0.7861501263845984
Energy: 0.7842860348893352
Energy: 0.9009066710654663
Energy: 0.7842860348887678
Energy: 0.7818845488275821
Energy: 0.7824456557936337
Energy: 0.861757641783043
Energy: 0.7824456557936337
Energy: 0.8097307574432295
Energy: 0.7838963921393335
Energy: 0.8754721329672066
Energy: 0.7838963921381986
Energy: 0.7905705729018307
Energy: 0.8749926808010131
Energy: 0.7740465494926918
Energy: 0.8749926808004457
Energy: 0.9117975645687708
Energy: 0.7829725669052618
Energy: 0.7859371015093838
Energy: 0.7829725669063966
Energy: 0.9105440141742466
Energy: 0.9044484007010959
Energy: 1.0096085381837197
Energy: 0.9044484007016633
Energy: 0.895955536964127
Energy: 0.8154489981180205
Energy: 1.013445184869264
Energy: 0.815448998118588
Energy: 0.8980568496654578
Energy: 0.7622631628310681
Energy: 0.8938548385802512
Energy: 0.7622631628197197
Energy: 0.8636887380603759
Energy: 0.7628572045798082
Energy: 0.7612745674222767
Energy: 0.7628572045786735
Energy: 0.8955378146804981
Energy: 0.7618896202610821
Energy: 0.765556578065963
Energy: 0.7618896202599472
Energy: 0.7629221208076729
Energy: 0.7637073872634921
Energy: 0.7702063183811713
Energy: 0.7637073872629246
Energy: 0.8760976989761883
Energy: 0.762272893868108
Energy: 0.86270191773648
Energy: 0.7622728938647036
Energy: 0.8834715128215692
Energy: 0.7832962778887943
Energy: 0.9108035539269416
Energy: 0.7832962778791481
Energy: 0.8008209588560555
Energy: 0.7819212853213636
Energy: 0.8569998110274458
Energy: 0.7819212853207962
Energy: 0.8754688644773807
Energy: 0.7819657038102457
Energy: 0.8851003918969098
Energy: 0.7819657038102457
Energy: 0.7823755792877977
Energy: 0.7818564869141572
Energy: 0.8876630766441426
Energy: 0.7818564869118876
Energy: 0.7819205588039246
Energy: 0.7813209709068881
Energy: 0.7830142834651778
Energy: 0.7813209708683551
Energy: 0.7896920416298456
Energy: 0.7841217718987689
Energy: 1.0161587257733455
Energy: 0.7841217718964992
Energy: 0.7848817875544206
Energy: 0.7968782089373175
Energy: 0.769643859032108
Energy: 0.7968782089361828
Energy: 0.8899606775565733
Energy: 0.7845854953918645
Energy: 0.7887768320857901
Energy: 0.7845854953952692
Energy: 0.8595407313848632
Energy: 0.7820989335879508
Energy: 0.782996145250226
Energy: 0.7820989335885181
Energy: 0.9814695949867132
Energy: 0.7836880532481489
Energy: 0.7988790293276888
Energy: 0.7836880532515534

minimum gb energy = 0.7612745674222767 eV
minimum distance =  2.45359830784656 Angstroms
sigma value = 89


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

Energy: 1.3671075603187715
Energy: 0.7165616572468049
Energy: 0.7193003370105108
Energy: 0.7478569858522671
Energy: 0.7375839691195206
Energy: 0.7765953274233989
Energy: 0.7189722154016001
Energy: 0.7765953274233989
Energy: 0.7108203854591133
Energy: 0.7766925465607752
Energy: 0.7364154402838857
Energy: 0.7766925465607752
Energy: 0.7131355571639163
Energy: 0.7778560655306017
Energy: 0.7177059627067416
Energy: 0.7778560655306017
Energy: 0.7165707170413059
Energy: 0.7163839737432544
Energy: 0.7308839782134393
Energy: 0.716383973744739
Energy: 0.7166284001323099
Energy: 0.7163512220278364
Energy: 0.7318341241260802
Energy: 0.7163512220278364
Energy: 0.7171970518870702
Energy: 0.7156402927314423
Energy: 0.7179553744205649
Energy: 0.7156402927314423
Energy: 0.7180902078750394
Energy: 0.7183634976119144
Energy: 0.7106561578848337
Energy: 0.7183634976252763
Energy: 0.7175169775282517
Energy: 0.7164385731957452
Energy: 0.7148260866023958
Energy: 0.71643857319723
Energy: 0.7374639043603617
Energy: 0.7770482942784841
Energy: 0.7370848349047983
Energy: 0.7770482942784841
Energy: 0.7175795644199866
Energy: 0.7769754460035501
Energy: 0.7101392748905669
Energy: 0.7769754460035501
Energy: 0.7315288735802077
Energy: 0.7177783117952111
Energy: 0.7180625107222911
Energy: 0.7177783117937265
Energy: 0.7324809070339614
Energy: 0.7174932722467894
Energy: 0.7176392766083239
Energy: 0.7174932722467894
Energy: 0.7181829179921886
Energy: 0.7153483770112395
Energy: 0.715669714942197
Energy: 0.7153483770112395
Energy: 0.7103367446380955
Energy: 0.7173305695969351
Energy: 0.7174675739413123
Energy: 0.7173305695969351

minimum gb energy = 0.7101392748905669 eV
minimum distance =  2.48168292253405 Angstroms
sigma value = 13


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

Energy: 1.206005198114775
Energy: 0.6899999482871375
Energy: 0.8730015968425168
Energy: 0.6837530900434508
Energy: 0.7963918296633148
Energy: 0.6879778736438351
Energy: 0.8245707917949721
Energy: 0.687977873645702
Energy: 1.067514576303998
Energy: 0.6867569211842185
Energy: 0.810465969183843
Energy: 0.6867569211867077
Energy: 0.9254648580199589
Energy: 0.6876407823526299
Energy: 0.7909220989463999
Energy: 0.6876407823544969
Energy: 0.79584983403017
Energy: 0.6873956889452805
Energy: 0.998723068054542
Energy: 0.6873956889483918
Energy: 0.8109394764418782
Energy: 0.6875193527165279
Energy: 0.9963313130349409
Energy: 0.6875193527140387
Energy: 0.8089353270371621
Energy: 0.6872403006230635
Energy: 0.7889995805180177
Energy: 0.6872403006230635
Energy: 0.7894024940041936
Energy: 0.6890221894915387
Energy: 0.9729689235948512
Energy: 0.6890221894952724
Energy: 0.7024970047166792
Energy: 0.6874806745985024
Energy: 0.7906702177486944
Energy: 0.687480674596664
Energy: 0.6935971203894115
Energy: 0.6872827627821638
Energy: 0.7971330785414636
Energy: 0.6872827627802971
Energy: 0.6870425814055202
Energy: 0.6925382945718602
Energy: 1.2064458679774643
Energy: 0.6925382945718602
Energy: 0.9788596333667666
Energy: 0.6870844375547523
Energy: 0.7982615209060266
Energy: 0.6870844375547523
Energy: 1.0007120833457646
Energy: 0.7173796062454223
Energy: 0.9963580093004909
Energy: 0.7173796062454223
Energy: 0.7919468797550572
Energy: 0.7194602306002558
Energy: 0.9257220239443457
Energy: 0.7194602305977666
Energy: 0.974329745321216
Energy: 0.6881234866938932
Energy: 0.7928192607385491
Energy: 0.6881234866963826
Energy: 0.9740569448005708
Energy: 0.6877548368673744
Energy: 0.6911258872042426
Energy: 0.687754836871108
Energy: 0.7933932514559155
Energy: 0.6874911828854247
Energy: 0.6885394466153043
Energy: 0.6874911828854247
Energy: 1.062501578694059
Energy: 0.6886687587690778
Energy: 0.6942500241753468
Energy: 0.6886687587616104
Energy: 0.8805868087601177
Energy: 0.687906809608016
Energy: 0.7876596132237274
Energy: 0.6879068096036601
Energy: 0.9304068391669461
Energy: 0.6867526389219957
Energy: 0.810747843312048
Energy: 0.6867526389213735
Energy: 0.9311656288631195
Energy: 0.6897330895302933
Energy: 0.7893963517626675
Energy: 0.689733089534027
Energy: 0.7919131299959727
Energy: 0.7294761602657064
Energy: 0.9964766430967464
Energy: 0.7294761602657064
Energy: 0.7949398732469146
Energy: 0.6885343113826278
Energy: 0.9992730371278261
Energy: 0.68853431138325
Energy: 0.6928666229262387
Energy: 0.6865117843977667
Energy: 0.79210550304662
Energy: 0.6865117844002557
Energy: 0.789776633244243
Energy: 0.687644559207711
Energy: 0.9731955008305219
Energy: 0.687644559205844
Energy: 0.688341861880358
Energy: 0.6883480784698923
Energy: 0.9733326407246067
Energy: 0.6883480784674031
Energy: 0.6872503362226735
Energy: 0.6868554800101584
Energy: 0.7949256402175591
Energy: 0.686855480013892
Energy: 0.6865492079833925
Energy: 0.6883462072565851
Energy: 1.0627363213922072
Energy: 0.6883462072565851
Energy: 0.9764629077175991
Energy: 0.6876675096429213
Energy: 0.8812165926667969
Energy: 0.6876675096404322
Energy: 0.8104481911371683
Energy: 0.719756491974099
Energy: 0.7875558838595987
Energy: 0.7197564919734766
Energy: 0.7935337036082171
Energy: 0.7235550170908573
Energy: 0.9318125552925031
Energy: 0.7235550170896127
Energy: 0.9849582210063456
Energy: 0.6886834085216148
Energy: 0.7875000975261042
Energy: 0.6886834085253485
Energy: 0.9744037543088919
Energy: 0.6878003388847431
Energy: 0.6957567397230967
Energy: 0.6878003388834987
Energy: 0.924728225046764
Energy: 0.686759974730279
Energy: 0.687523013550052
Energy: 0.6867599747365019
Energy: 0.880888790945556
Energy: 0.6874393804679961
Energy: 0.6910101941033703
Energy: 0.6874393804692407

minimum gb energy = 0.6837530900434508 eV
minimum distance =  2.46735879373863 Angstroms
sigma value = 37


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

Energy: 1.180019727762514
Energy: 0.6511985607516384
Energy: 0.6531237271430897
Energy: 0.6634453804801526
Energy: 0.9801857688297755
Energy: 0.6509955812650589
Energy: 0.8310627942197906
Energy: 0.6509955812639883
Energy: 1.045894238610761
Energy: 0.7136611696156969
Energy: 0.8305663510681983
Energy: 0.7136611696167675
Energy: 1.0432088348238713
Energy: 0.7864448088985084
Energy: 0.8244386039578842
Energy: 0.7864448088974378
Energy: 0.9797805659117013
Energy: 0.6403861994857157
Energy: 0.9097091495906087
Energy: 0.6403861994867864
Energy: 0.8129982880407335
Energy: 0.6399469171164861
Energy: 0.999171012398786
Energy: 0.6399469171154155
Energy: 0.7368692734790164
Energy: 0.6397729875932402
Energy: 0.9745770189097597
Energy: 0.6397729875943109
Energy: 0.7373824573256993
Energy: 0.6289693688850303
Energy: 1.0432795700957693
Energy: 0.6289693688839597
Energy: 0.7249223698894839
Energy: 0.6335330032012307
Energy: 1.0428866429296346
Energy: 0.63353300320016
Energy: 0.7239837987312739
Energy: 0.6281884594143367
Energy: 0.9731328778106306
Energy: 0.6281884594143367
Energy: 0.7756366239089313
Energy: 0.775727431679833
Energy: 1.0452723215255224
Energy: 0.775727431679833
Energy: 0.8978818953830191
Energy: 0.6282406168768582
Energy: 0.9732367843629122
Energy: 0.6282406168757876
Energy: 0.8962877928049585
Energy: 0.6885080774266884
Energy: 1.0458321635993915
Energy: 0.6885080774288296
Energy: 0.8966660673904024
Energy: 0.6882104322084912
Energy: 1.043221121837892
Energy: 0.6882104322084912
Energy: 0.9097091495906087
Energy: 0.7033689111833364
Energy: 0.9747513676772945
Energy: 0.7033689111833364
Energy: 0.9802670962187516
Energy: 0.7028467164806008
Energy: 0.8288881731434983
Energy: 0.7028467164784594
Energy: 0.9802938700015671
Energy: 0.6884744627197722
Energy: 0.7370154690245284
Energy: 0.6884744627187016
Energy: 1.0432795700957693
Energy: 0.7300880926612647
Energy: 0.6621665222212827
Energy: 0.7300880926612647
Energy: 1.042886642933893
Energy: 0.6523829870350404
Energy: 0.651212225058197
Energy: 0.6523829870350404
Energy: 0.9803912413852311
Energy: 0.6513513574652117
Energy: 0.6636039160009315
Energy: 0.6513513574662823

minimum gb energy = 0.6281884594143367 eV
minimum distance =  2.46852665179739 Angstroms
sigma value = 25


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

Energy: 1.2584780339093262
Energy: 0.5687244786722239
Energy: 0.7929566436097943
Energy: 0.5769173204218453
Energy: 1.085855388564657
Energy: 0.5681128455633373
Energy: 0.714792580445782
Energy: 0.5681128455633373
Energy: 1.0807488666804428
Energy: 0.5677808220334
Energy: 0.7192530150666925
Energy: 0.567780822032564
Energy: 0.8722446222516219
Energy: 0.5689623454808294
Energy: 0.7124592071880225
Energy: 0.5689623454799935
Energy: 0.971360225912105
Energy: 0.6184051216805684
Energy: 0.9696478976846991
Energy: 0.6184051216805684
Energy: 0.864388837233509
Energy: 0.6156787890553399
Energy: 0.9722550493448118
Energy: 0.6156787890553399
Energy: 0.8657956240014295
Energy: 0.617785834515603
Energy: 0.9705223711563404
Energy: 0.617785834515603
Energy: 0.7130539739875315
Energy: 0.5695307856770768
Energy: 0.9736707485696006
Energy: 0.5695307856754047
Energy: 0.7172115157872323
Energy: 0.5676962904823459
Energy: 1.0810134468476371
Energy: 0.5676962904823459
Energy: 0.7179863380513245
Energy: 0.5681884900239057
Energy: 1.084632875780638
Energy: 0.5681884900239057
Energy: 0.5684323097016755
Energy: 0.570342164953799
Energy: 1.066182217611908
Energy: 0.5703421649279208
Energy: 0.5725341681010139
Energy: 0.5680659210462817
Energy: 1.0850026073660706
Energy: 0.5680659210454456
Energy: 0.5703917367954999
Energy: 0.56935452067067
Energy: 1.0773505137068806
Energy: 0.56935452067067
Energy: 0.5838658192565565
Energy: 0.5706003482955624
Energy: 1.0756628040092269
Energy: 0.5706003482972345
Energy: 0.7187560291270867
Energy: 0.567766910105806
Energy: 1.0826591927536409
Energy: 0.5677669101066419
Energy: 0.7182090727908433
Energy: 0.5684034020613276
Energy: 1.0769375279326088
Energy: 0.5684034020621636
Energy: 0.871480513614832
Energy: 0.5679691565909784
Energy: 1.0772307036486641
Energy: 0.5679691565909784
Energy: 0.7192213478115705
Energy: 0.6200103621958878
Energy: 0.9757390945027962
Energy: 0.6200103621958878
Energy: 0.9699633879197593
Energy: 0.6163371519659527
Energy: 0.8654069229688002
Energy: 0.6163371519667887
Energy: 1.0837987664156283
Energy: 0.6166628424924858
Energy: 0.8644113296431574
Energy: 0.6166628424916499
Energy: 1.0667300690296213
Energy: 0.5686494901562268
Energy: 0.7169325526466357
Energy: 0.5686494901562268
Energy: 1.0855818973154814
Energy: 0.5674618261243676
Energy: 0.5684591088765315
Energy: 0.5674618261260396
Energy: 1.0788717318744867
Energy: 0.5689060303509468
Energy: 0.7123920667046705
Energy: 0.5689060303509468
Energy: 0.9729733735308492
Energy: 0.5707620545508137
Energy: 0.5688208939218424
Energy: 0.5707620545499776
Energy: 1.0830105195767592
Energy: 0.5675518050243058
Energy: 0.5683864990676113
Energy: 0.5675518050251418
Energy: 1.0758082720086668
Energy: 0.5685759821410381
Energy: 0.5686988120621941
Energy: 0.5685759821410381

minimum gb energy = 0.5674618261243676 eV
minimum distance =  2.48210796766676 Angstroms
sigma value = 41


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

Energy: 1.393415744710337
Energy: 0.5208331195494568
Energy: 0.7608248099932665
Energy: 0.530772590745042
Energy: 1.1485023012323454
Energy: 0.5185354041420605
Energy: 0.65397851035594
Energy: 0.5185354041420605
Energy: 1.1481511635859951
Energy: 0.5177503968573013
Energy: 0.6461894838947234
Energy: 0.5177503968566158
Energy: 0.961336341243828
Energy: 0.5205826865846208
Energy: 0.7793842997687032
Energy: 0.520582686586677
Energy: 1.062114638357223
Energy: 0.5173881511226421
Energy: 0.867552242049283
Energy: 0.5173881511226421
Energy: 0.9646003821891233
Energy: 0.6589179466511188
Energy: 0.864484049264878
Energy: 0.6589179466504336
Energy: 0.9689838813874561
Energy: 0.5592778363715862
Energy: 0.9715456265935107
Energy: 0.559277836367474
Energy: 0.8648916803777059
Energy: 0.5629216265070635
Energy: 0.8692142516727427
Energy: 0.5629216265077488
Energy: 0.7644145604051991
Energy: 0.6618663885073562
Energy: 1.0554258906067464
Energy: 0.661866388506671
Energy: 0.7660177741453784
Energy: 0.5173681186764657
Energy: 0.9697318894560427
Energy: 0.5173681186668702
Energy: 0.641769731877227
Energy: 0.5201048732277964
Energy: 1.052492913121842
Energy: 0.5201048732291673
Energy: 0.6435391090031682
Energy: 0.5175966445336044
Energy: 1.14777905675683
Energy: 0.51759664453429
Energy: 0.6409085334164625
Energy: 0.518845727104325
Energy: 1.1514163814317044
Energy: 0.5188457271056958
Energy: 0.5184844565533305
Energy: 0.5182489510650392
Energy: 1.051680038432687
Energy: 0.5182489510657248
Energy: 0.5196742574324567
Energy: 0.5183932677763311
Energy: 1.1451009608050224
Energy: 0.5183932677770164
Energy: 0.5245614421653559
Energy: 0.5185820070698506
Energy: 1.1494619843165617
Energy: 0.5185820070705359
Energy: 0.6496579819253165
Energy: 0.5196184689202267
Energy: 1.140663459875697
Energy: 0.5196184689209121
Energy: 0.6413460230688567
Energy: 0.5170002015139166
Energy: 1.1443312429755823
Energy: 0.5170002015146019
Energy: 0.6424400341451417
Energy: 0.5192216126709611
Energy: 0.9668761001201156
Energy: 0.519221612668905
Energy: 0.8662513665122858
Energy: 0.5179742812487772
Energy: 0.9654020774413556
Energy: 0.5179742812480919
Energy: 0.8719407316487252
Energy: 0.520360641251561
Energy: 1.0540156853200557
Energy: 0.5203606412563587
Energy: 0.8667869066870656
Energy: 0.5570578128620584
Energy: 0.9717424343697079
Energy: 0.5570578128586314
Energy: 1.0560379356084542
Energy: 0.5567718595750991
Energy: 0.962285379308857
Energy: 0.5567718595764697
Energy: 0.870430359412135
Energy: 0.5572048573044893
Energy: 0.866674305861326
Energy: 0.5572048573099726
Energy: 1.0541942043398222
Energy: 0.5220964879136103
Energy: 0.7627337593012278
Energy: 0.5220964879136103
Energy: 1.057192098185855
Energy: 0.5182598198186111
Energy: 0.8639738855478274
Energy: 0.5182598198199819
Energy: 1.0521099206582305
Energy: 0.5193952614799372
Energy: 0.6411329876930094
Energy: 0.5193952614826787
Energy: 1.143626298638166
Energy: 0.5175035269228716
Energy: 0.6402657780401397
Energy: 0.5175035269242424
Energy: 1.0515059767371304
Energy: 0.5196419945375116
Energy: 0.6486436034757501
Energy: 0.5196419945340847
Energy: 1.0571639582156502
Energy: 0.5192899981679375
Energy: 0.5232908803569916
Energy: 0.5192899981693083
Energy: 1.1443837850590148
Energy: 0.5183884202335463
Energy: 0.5193030672002876
Energy: 0.5183884202342316
Energy: 1.1409307132723676
Energy: 0.5202168367673092
Energy: 0.5201413323453689
Energy: 0.5202168367673092

minimum gb energy = 0.5170002015139166 eV
minimum distance =  2.47930964366481 Angstroms
sigma value = 15


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

Energy: 1.198196011323603
Energy: 0.48357126989729743
Energy: 0.7338681395975097
Energy: 0.4931573622418389
Energy: 1.1915308971474783
Energy: 0.4788973867456011
Energy: 0.5935480297251301
Energy: 0.4788973867461817
Energy: 1.1925450639908433
Energy: 0.4784048487279114
Energy: 0.5879591189236606
Energy: 0.4784048487255889
Energy: 1.043517901672857
Energy: 0.48056838424546994
Energy: 0.788182221659157
Energy: 0.48056838424721177
Energy: 1.116155326559233
Energy: 0.47773386939010126
Energy: 0.780698206893724
Energy: 0.4777338693964881
Energy: 1.0348369063667224
Energy: 0.47786818082820504
Energy: 0.7784105265770475
Energy: 0.4778681808502686
Energy: 0.8703271936339038
Energy: 0.4809228763107898
Energy: 0.9521137296279153
Energy: 0.48092287630556424
Energy: 0.9559695561289316
Energy: 0.5153973180915654
Energy: 0.7791914265492357
Energy: 0.515397318096791
Energy: 0.8693053265561154
Energy: 0.5109989288063479
Energy: 0.9484512665824425
Energy: 0.5109989288063479
Energy: 0.867395818976251
Energy: 0.5125516502753827
Energy: 1.1130368157192354
Energy: 0.5125516502823503
Energy: 0.7872031674042931
Energy: 0.4787869245623798
Energy: 0.9482640697616784
Energy: 0.47878692456005734
Energy: 0.6852609320061365
Energy: 0.47777589082732125
Energy: 1.108848714551436
Energy: 0.47777589082616007
Energy: 0.7792160491244814
Energy: 0.47823147825829604
Energy: 1.1123163299695926
Energy: 0.47823147825945733
Energy: 0.5934492457724214
Energy: 0.48125487843110043
Energy: 0.9573215538253318
Energy: 0.4812548784322616
Energy: 0.5817293323789356
Energy: 0.4780135839502335
Energy: 1.1872580224878542
Energy: 0.4780135839479639
Energy: 0.58991505156859
Energy: 0.480212341516364
Energy: 1.1146177412158813
Energy: 0.480212341516364
Energy: 0.48673284425919544
Energy: 0.4801763179355512
Energy: 1.1184328956855552
Energy: 0.4801763179372931
Energy: 0.4787269960392076
Energy: 0.4789576995825397
Energy: 1.1866160116192384
Energy: 0.4789576995825397
Energy: 0.4894949832539659
Energy: 0.47967524873215883
Energy: 1.0379338439479993
Energy: 0.4796752487298364
Energy: 0.5914957721153267
Energy: 0.47993174822308476
Energy: 1.1957576081934522
Energy: 0.479931748221343
Energy: 0.5803139783004821
Energy: 0.4798849168125947
Energy: 1.1873057029883336
Energy: 0.47988491681143347
Energy: 0.5923049854385929
Energy: 0.4803253692174739
Energy: 1.0413240666393613
Energy: 0.4803253692163654
Energy: 0.7790220408464713
Energy: 0.47866997544554485
Energy: 1.0324743678698947
Energy: 0.47866997544089984
Energy: 0.779890966891856
Energy: 0.4776687208118952
Energy: 1.1099119518868286
Energy: 0.4776687208078308
Energy: 0.7861521630265237
Energy: 0.4788028551128355
Energy: 0.8749727672144076
Energy: 0.4788028551122549
Energy: 0.951585364801561
Energy: 0.6122478253454441
Energy: 1.0375968241632991
Energy: 0.6122478253448635
Energy: 0.7787668121619101
Energy: 0.5114934293722527
Energy: 0.9496944641599085
Energy: 0.5114934293722527
Energy: 0.9568283848977682
Energy: 0.5155614767395587
Energy: 0.8784414137996455
Energy: 0.5155614767407198
Energy: 0.9532850072966461
Energy: 0.48111086895071026
Energy: 0.9517950237018223
Energy: 0.4811108689553552
Energy: 0.9515690018113747
Energy: 0.4778871595665143
Energy: 0.7788899512481986
Energy: 0.4778871595659337
Energy: 1.115485937666088
Energy: 0.47796705602774375
Energy: 0.6853498590733772
Energy: 0.4779670560254212
Energy: 0.9564661624494118
Energy: 0.48050358945807603
Energy: 0.7878067777685417
Energy: 0.48050358945749544
Energy: 1.1128658629336636
Energy: 0.4785157373922823
Energy: 0.5908929179425865
Energy: 0.47851573739286296
Energy: 1.109693789883475
Energy: 0.4786047060552072
Energy: 0.5854440459087086
Energy: 0.47860470605578787
Energy: 1.1076885409170925
Energy: 0.48052002300566765
Energy: 0.49559008096706575
Energy: 0.48052002300450636
Energy: 1.190900433413734
Energy: 0.4792905440281481
Energy: 0.4827652735640625
Energy: 0.47929054402582566
Energy: 1.1896322574856524
Energy: 0.48002660146910137
Energy: 0.48148186729808606
Energy: 0.48002660146910137

minimum gb energy = 0.4776687208078308 eV
minimum distance =  2.48490838339438 Angstroms
sigma value = 85


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

Energy: 1.2845544582502324
Energy: 0.4339735452620342
Energy: 0.434667379708781
Energy: 0.46095234630359333
Energy: 1.1385060678930445
Energy: 0.4345440709785505
Energy: 0.524515014056921
Energy: 0.4345440709790541
Energy: 1.0703763229434744
Energy: 0.4338531040964343
Energy: 0.5247579390416959
Energy: 0.43385310409593075
Energy: 0.9232611096456905
Energy: 0.43570031764339484
Energy: 0.6987487124016636
Energy: 0.43570031764339484
Energy: 1.0734137879802013
Energy: 0.43345750427075386
Energy: 0.6981488313430911
Energy: 0.433457504271761
Energy: 0.9256972519236106
Energy: 0.43349790640296426
Energy: 0.7002389491574957
Energy: 0.43349790640296426
Energy: 0.9233263578281861
Energy: 0.43545065703321734
Energy: 0.8511925022962171
Energy: 0.43545065703321734
Energy: 0.9978534502249328
Energy: 0.4341862495637314
Energy: 0.6961389073216091
Energy: 0.43418624956524215
Energy: 0.9241405836755267
Energy: 0.43395485974975645
Energy: 0.8515288123265268
Energy: 0.43395485975076353
Energy: 0.9242758719368119
Energy: 0.4924852603041883
Energy: 0.9968221803925166
Energy: 0.492485260305699
Energy: 0.8513081490762505
Energy: 0.5656078478220319
Energy: 0.8504621396133134
Energy: 0.5656078478225355
Energy: 0.7799430938081905
Energy: 0.433721481940356
Energy: 0.9974226763388704
Energy: 0.433721481943881
Energy: 0.8509044968215989
Energy: 0.4345502035599863
Energy: 0.9976803925410026
Energy: 0.4345502035635114
Energy: 0.6988930378076396
Energy: 0.43400990722692645
Energy: 0.8495334407146375
Energy: 0.43400990722743005
Energy: 0.6091565739947854
Energy: 0.43354886166253026
Energy: 1.1376083394526988
Energy: 0.43354886166303386
Energy: 0.7024579782623674
Energy: 0.4338467430435134
Energy: 0.9988076532652944
Energy: 0.43384674304401694
Energy: 0.5281850782841992
Energy: 0.43486671977910996
Energy: 0.9957335679308791
Energy: 0.43486671977910996
Energy: 0.5217260571508908
Energy: 0.4336742339805687
Energy: 1.206173383036659
Energy: 0.4336742339830865
Energy: 0.5257268158306465
Energy: 0.43563047185962245
Energy: 1.1358696055710558
Energy: 0.43563047185962245
Energy: 0.434629342364751
Energy: 0.43596950304801213
Energy: 1.135764140555735
Energy: 0.43596950304801213
Energy: 0.43467510045509555
Energy: 0.4339774799984341
Energy: 1.2064799327068843
Energy: 0.4339774799984341
Energy: 0.434103277752366
Energy: 0.43481470206665906
Energy: 1.069073854972843
Energy: 0.43481470206665906
Energy: 0.5305565091607778
Energy: 0.4347075446686009
Energy: 1.202969121511657
Energy: 0.4347075446686009
Energy: 0.5244080946048778
Energy: 0.4336386865849363
Energy: 1.1407267291222758
Energy: 0.4336386865849363
Energy: 0.5265640983143173
Energy: 0.4353401121837676
Energy: 0.922824057398864
Energy: 0.4353401121847748
Energy: 0.6986008729269467
Energy: 0.43355056151193994
Energy: 1.2044716231455448
Energy: 0.4335505615129471
Energy: 0.6981795137776592
Energy: 0.4335945561195105
Energy: 1.0694206901510241
Energy: 0.4335945561185033
Energy: 0.7956750999242121
Energy: 0.4338221587135094
Energy: 0.9236893513827147
Energy: 0.43382215871300583
Energy: 0.8510470126823786
Energy: 0.43546885879263314
Energy: 1.075320373399576
Energy: 0.435468858795151
Energy: 0.8525453712366927
Energy: 0.4340719104987708
Energy: 0.9251025135156455
Energy: 0.434071910499778
Energy: 0.9995364782178934
Energy: 0.4914740937095273
Energy: 0.7755099132750555
Energy: 0.49147409371003087
Energy: 0.8502165348321477
Energy: 0.4918706451688363
Energy: 0.9354819851373902
Energy: 0.49187064516531126
Energy: 0.9989300784238585
Energy: 0.4339071917575438
Energy: 0.7768318573904647
Energy: 0.4339071917686224
Energy: 1.0767462754432457
Energy: 0.43447031673521586
Energy: 0.778120104611339
Energy: 0.43447031673521586
Energy: 0.8499206111036353
Energy: 0.4340608837710973
Energy: 0.6994170793855117
Energy: 0.4340608837716009
Energy: 1.1399929794738364
Energy: 0.43369275929155077
Energy: 0.6978786381814605
Energy: 0.43369275929155077
Energy: 1.1385814222904675
Energy: 0.43349884945700273
Energy: 0.6996402809071209
Energy: 0.43349884945649914
Energy: 0.9972916058971306
Energy: 0.4348182181352001
Energy: 0.5265955765759167
Energy: 0.4348182181362072
Energy: 1.2080084838830758
Energy: 0.4334542061768937
Energy: 0.5234792264170057
Energy: 0.4334542061758865
Energy: 1.135823383244206
Energy: 0.43404144353571705
Energy: 0.5265636164233451
Energy: 0.43404144353722773
Energy: 0.9954328350354651
Energy: 0.4336656294923117
Energy: 0.43404514143547185
Energy: 0.4336656294923117
Energy: 1.2066041019369065
Energy: 0.43370294396915426
Energy: 0.4343059567220717
Energy: 0.43370294396915426
Energy: 1.0670332863168523
Energy: 0.4357367465008172
Energy: 0.4335705804634574
Energy: 0.4357367465008172

minimum gb energy = 0.4334542061758865 eV
minimum distance =  2.48402347730817 Angstroms
sigma value = 113


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

Energy: 0.012212212799418138
Energy: 0.37308532039619535
Energy: 0.9286889959967851
Energy: 0.01323325416659331
Energy: 0.6336120845474109
Energy: 0.08250079730637942
Energy: 0.6350971838580389
Energy: 0.08250079730676654
Energy: 0.012837114063498559
Energy: 0.08125333365633707
Energy: 0.6334287773451162
Energy: 0.08125333365633707
Energy: 0.013902094418422994
Energy: 0.08100654877088626
Energy: 0.6324297634330944
Energy: 0.08100654877052064
Energy: 0.6352812981816539
Energy: 0.08268832070341066
Energy: 0.6350392386639084
Energy: 0.08268832070304505
Energy: 0.012780265469321182
Energy: 0.08138818125271423
Energy: 0.6331345226573308
Energy: 0.08138818125307984

minimum gb energy = 0.012212212799418138 eV
minimum distance =  2.70169762481181 Angstroms
sigma value = 1