Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_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=4.0419338792562485
cohesive_energy=3.3704402760057754
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010426114794874361
Energy: 0.01217952561585863
Energy: 0.010660990156319963
Energy: 0.01217952561585863
Energy: 0.01217952561585863
Energy: 0.4879153528950177
Energy: 0.01217952561585863
Energy: 0.4879153528950177
Energy: 0.010660990230852256
Energy: 0.01217952561585863
Energy: 0.010426114794874361
Energy: 0.01217952561585863
Energy: 0.01217952561585863
Energy: 0.4879153528950177
Energy: 0.01217952561585863
Energy: 0.4879153528940143

minimum gb energy = 0.010426114794874361 eV
minimum distance =  2.7388621994061 Angstroms
sigma value = 1


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

Energy: 0.5948594241315944
Energy: 0.5665536740639792
Energy: 0.6212932435310536
Energy: 0.5665536740621536
Energy: 0.5725867040231598
Energy: 0.5840401048947416
Energy: 0.5689741084621261
Energy: 0.5840342222154322
Energy: 0.571702189298512
Energy: 0.5640471629956548
Energy: 0.6280439299557239
Energy: 0.5640471629950463
Energy: 0.5628592515341214
Energy: 0.6044731086491381
Energy: 0.5552854283605965
Energy: 0.6044731086473125
Energy: 0.5632754869011554
Energy: 0.5789210603018222
Energy: 0.5866057185005731
Energy: 0.5789210603024307
Energy: 0.5480465930828907
Energy: 0.6423770639268229
Energy: 0.5735589483163321
Energy: 0.6423770639262144
Energy: 0.5739955230772545
Energy: 0.5922022203938606
Energy: 0.544724783875665
Energy: 0.5922022203932521
Energy: 0.5366045302605906
Energy: 0.5762783776181337
Energy: 0.5846857426380373
Energy: 0.5762783776187421
Energy: 0.5568460190294098
Energy: 0.6773468965842949
Energy: 0.6268994245765093
Energy: 0.677346896564243
Energy: 0.5680841291722817
Energy: 0.561286276347852
Energy: 0.5483598542210127
Energy: 0.5612862763484604
Energy: 0.5851688425857251
Energy: 0.5965673504085125
Energy: 0.5573543205119266
Energy: 0.5965673503744381
Energy: 0.5978433229948286
Energy: 0.5813747795383396
Energy: 0.570268200139768
Energy: 0.5813747795377312
Energy: 0.5719536331389259
Energy: 0.5803118597647657
Energy: 0.5888169348130337
Energy: 0.580311859761115
Energy: 0.565119711182781
Energy: 0.5685996253558491
Energy: 0.5622096031729962
Energy: 0.5685996253558491
Energy: 0.5889955090917032
Energy: 0.5742568464176697
Energy: 0.562242313960088
Energy: 0.5742568464097597
Energy: 0.5788304443184071
Energy: 0.5921676140869501
Energy: 0.565594313049332
Energy: 0.5921676140924262
Energy: 0.6106161425275574
Energy: 0.5662736701841132
Energy: 0.5571342857339434
Energy: 0.5662736701841132
Energy: 0.5729921742039042
Energy: 0.6404425295622123
Energy: 0.586075600905839
Energy: 0.6404425295622123
Energy: 0.5899201367667501
Energy: 0.5676198406134442
Energy: 0.5633968829356814
Energy: 0.5676198406146612
Energy: 0.6272161931582149
Energy: 0.6861566640196717
Energy: 0.5535459208313536
Energy: 0.6861566640208886
Energy: 0.5749181993205453
Energy: 0.5645499244458113
Energy: 0.5610672791928272
Energy: 0.564549924445203
Energy: 0.558177975093509
Energy: 0.7126652622392522
Energy: 0.6208434468025045
Energy: 0.7126652622386437
Energy: 0.6260547638795215
Energy: 0.5772636663192089
Energy: 0.5443659701809666
Energy: 0.5772636663216428
Energy: 0.5854874736584814
Energy: 0.5682357057580235
Energy: 0.5423064750759762
Energy: 0.5682357057634998
Energy: 0.5527068371160592
Energy: 0.6392178753037822
Energy: 0.6108191839842402
Energy: 0.6392178753031735
Energy: 0.5595543633648237
Energy: 0.5737550154990821
Energy: 0.5649842416139288
Energy: 0.5737550154990821
Energy: 0.5743040914822399
Energy: 0.6662896384982218
Energy: 0.5531197078790019
Energy: 0.6662896241526043
Energy: 0.5622071832025101
Energy: 0.5615837477137712
Energy: 0.6145470334323134
Energy: 0.5615837477137712
Energy: 0.5683270423316233
Energy: 0.6028790671547191
Energy: 0.5668408550337031
Energy: 0.6028790667745916
Energy: 0.5814034581837267
Energy: 0.5788054600736192
Energy: 0.6271384521258616
Energy: 0.5788054600736192
Energy: 0.5573801597788038
Energy: 0.599172866332137
Energy: 0.5844603646523762
Energy: 0.5991728663290946
Energy: 0.5801125790508717
Energy: 0.5737099952470532
Energy: 0.5553856349557368
Energy: 0.5737099952476618
Energy: 0.5543694042717949
Energy: 0.586633206567034
Energy: 0.5577452382083355
Energy: 0.5866332065560815

minimum gb energy = 0.5366045302605906 eV
minimum distance =  2.58542932723609 Angstroms
sigma value = 1


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

Energy: 0.6245562292710526
Energy: 0.6095374245420235
Energy: 0.6540781305254253
Energy: 0.6095374245392484
Energy: 0.5924085889878334
Energy: 0.6190761217420881
Energy: 0.5964370434362194
Energy: 0.6190761217400069
Energy: 0.5913610363071418
Energy: 0.6049650223366948
Energy: 0.6071847029836258
Energy: 0.604965022338776
Energy: 0.5950100166321781
Energy: 0.6175269417061339
Energy: 0.5938717878099814
Energy: 0.6175269415667506
Energy: 0.5882949450086916
Energy: 0.6075266499906531
Energy: 0.6174186333632667
Energy: 0.6075266499906531
Energy: 0.6169879884040748
Energy: 0.612135649321886
Energy: 0.6163039906110174
Energy: 0.6121356493204986
Energy: 0.5875878435764854
Energy: 0.6866912820154322
Energy: 0.5716223249266501
Energy: 0.6866912820140446
Energy: 0.5635193827729853
Energy: 0.6004262734186286
Energy: 0.5944310714502566
Energy: 0.6004262734338598
Energy: 0.5640005884460897
Energy: 0.7076480206661198
Energy: 0.6156691210902809
Energy: 0.7076480204490981
Energy: 0.5871188234847293
Energy: 0.5994346019348218
Energy: 0.6297013032260751
Energy: 0.5994346018890649
Energy: 0.6226744942227476
Energy: 0.6104897670726144
Energy: 0.5990875876639975
Energy: 0.6104897671870535
Energy: 0.5713530045093358
Energy: 0.6038527006612784
Energy: 0.5942050824222109
Energy: 0.603852700661972
Energy: 0.5956206657836379
Energy: 0.6188408840057719
Energy: 0.6063122771494607
Energy: 0.6188408840057719
Energy: 0.5754362815325669
Energy: 0.6162273985099671
Energy: 0.6149394593463902
Energy: 0.6162273985092733
Energy: 0.5745702159071869
Energy: 0.6062067026291664
Energy: 0.6325261171977743
Energy: 0.6062067026291664
Energy: 0.5846320026256769
Energy: 0.6122403802904258
Energy: 0.5763527720053362
Energy: 0.6122403892644
Energy: 0.593602793396569
Energy: 0.603721699682208
Energy: 0.6133317635843339
Energy: 0.6037216996898394
Energy: 0.5706308689124203
Energy: 0.7085861911413952
Energy: 0.6158934512947803
Energy: 0.7085861924679635
Energy: 0.5676581995263392
Energy: 0.6029969055276148
Energy: 0.5745311494741353
Energy: 0.6029969055283084
Energy: 0.6101638123040903
Energy: 0.6556814998659343
Energy: 0.5668594172860352
Energy: 0.6556814999061725
Energy: 0.6579246069130499
Energy: 0.6202842032306972
Energy: 0.6073771606447306
Energy: 0.6202842032300033
Energy: 0.5847500825044516
Energy: 0.6109576774105913
Energy: 0.6134433150673654
Energy: 0.6109576774105913
Energy: 0.586429525216523
Energy: 0.6247422252465251
Energy: 0.5809751981848282
Energy: 0.6247422251965744
Energy: 0.5922213201715976
Energy: 0.6016429472951198
Energy: 0.5933890297551513
Energy: 0.6016429472999761
Energy: 0.5932669243793153
Energy: 0.6141831872895924
Energy: 0.5992388329925883
Energy: 0.6141831871841721
Energy: 0.6245562153069715
Energy: 0.6095374245406361
Energy: 0.7167395202082467
Energy: 0.6095374245406361
Energy: 0.5924085889885273
Energy: 0.6190761218287769
Energy: 0.5964370434362194
Energy: 0.6190761218516395
Energy: 0.5913610363064481
Energy: 0.6049650223366948
Energy: 0.607184702805392
Energy: 0.6049650223366948
Energy: 0.5950100166314843
Energy: 0.6175269416097638
Energy: 0.570737005097612
Energy: 0.6175269418330608

minimum gb energy = 0.5635193827729853 eV
minimum distance =  2.53918544251325 Angstroms
sigma value = 25


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

Energy: 0.6135363467028782
Energy: 0.6246899494005707
Energy: 0.6714112163607959
Energy: 0.6246899494005707
Energy: 0.6175935744950096
Energy: 0.7011383765117635
Energy: 0.5884464795652872
Energy: 0.7011383765117635
Energy: 0.6131098832334612
Energy: 0.630037119368269
Energy: 0.6313339723018766
Energy: 0.6300371193674625
Energy: 0.5977162461827489
Energy: 0.661160247483533
Energy: 0.5832232599809122
Energy: 0.6611602474811137
Energy: 0.5866693268334054
Energy: 0.6511923530855989
Energy: 0.6295280496576354
Energy: 0.6511923530855989
Energy: 0.6580160113292379
Energy: 0.6358651856780417
Energy: 0.679946236923275
Energy: 0.6358651856780417
Energy: 0.7159438182809158
Energy: 0.7252628724177731
Energy: 0.5951675079985802
Energy: 0.7252628723968045
Energy: 0.7120917368643348
Energy: 0.6304914084145936
Energy: 0.5795766675661789
Energy: 0.6304914084154001
Energy: 0.5805689309172336
Energy: 0.640038330152451
Energy: 0.6163772966237622
Energy: 0.6400383961353407
Energy: 0.6125242726863328
Energy: 0.6518690423672385
Energy: 0.600206862905584
Energy: 0.6518690423672385
Energy: 0.6295726983358696
Energy: 0.6444750899049432
Energy: 0.6023612728054525
Energy: 0.644475089996039
Energy: 0.6159107774000501
Energy: 0.635159826862069
Energy: 0.601817013594474
Energy: 0.635159826862069
Energy: 0.622393466694355
Energy: 0.6467781282415452
Energy: 0.5995905816972747
Energy: 0.6467781282415452
Energy: 0.5843045443870313
Energy: 0.6761516059573079
Energy: 0.64241742354987
Energy: 0.67615160674328
Energy: 0.6363172042218372
Energy: 0.6301384206171652
Energy: 0.5770393582918535
Energy: 0.6301384206163587
Energy: 0.6178607070416641
Energy: 0.6650054905500616
Energy: 0.5880755517824646
Energy: 0.6650054918978954
Energy: 0.5891160741147794
Energy: 0.637394519038778
Energy: 0.5793325426841367
Energy: 0.637394519038778
Energy: 0.5812493897133849
Energy: 0.6644157719935322
Energy: 0.619811831400138
Energy: 0.6644157719935322
Energy: 0.6223364989139119
Energy: 0.6552657326669696
Energy: 0.589572809818141
Energy: 0.6552657326798733
Energy: 0.6391291074202322
Energy: 0.6355300945045831
Energy: 0.6129651338442523
Energy: 0.6355300945029702
Energy: 0.5877709723590607
Energy: 0.666478216042191
Energy: 0.5848566170367047
Energy: 0.6664782160413846
Energy: 0.6125336777001672
Energy: 0.6259860744882972
Energy: 0.6581171302142979
Energy: 0.6259860744882972
Energy: 0.6165198676534948
Energy: 0.6434416843304517
Energy: 0.5905054269309475
Energy: 0.6434416838193617
Energy: 0.6779841585841072
Energy: 0.6316823688339519
Energy: 0.6139810923437204
Energy: 0.6316823688339519
Energy: 0.5895365661546534
Energy: 0.6566580007474736
Energy: 0.5823326264860037
Energy: 0.6566580011537575

minimum gb energy = 0.5770393582918535 eV
minimum distance =  2.56162973233799 Angstroms
sigma value = 9


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

Energy: 0.6607782756654568
Energy: 0.6804877960485051
Energy: 0.7539361159575174
Energy: 0.680487796047543
Energy: 0.6152474850547284
Energy: 0.6862271547737191
Energy: 0.6060990863769175
Energy: 0.686227154771795
Energy: 0.6313787316565485
Energy: 0.6761528542460178
Energy: 0.6215570426443082
Energy: 0.6761528542450557
Energy: 0.680053882977185
Energy: 0.6831542916506709
Energy: 0.6098492659976216
Energy: 0.6831542938480509
Energy: 0.627530564016462
Energy: 0.6569745444976253
Energy: 0.7208741027526723
Energy: 0.6569745444831943
Energy: 0.614340292818278
Energy: 0.6921259549645279
Energy: 0.6021885593216263
Energy: 0.692125954963566
Energy: 0.5904998615711399
Energy: 0.6760315568674917
Energy: 0.5956650307663901
Energy: 0.6760315710527679
Energy: 0.6496740389972566
Energy: 0.6905836648876473
Energy: 0.6055194815201326
Energy: 0.6905836648866852
Energy: 0.588772126504552
Energy: 0.6630498589364027
Energy: 0.6404266143647266
Energy: 0.6630498593701019
Energy: 0.6268355362682045
Energy: 0.6907369030589219
Energy: 0.5968645663315204
Energy: 0.6907369030579598
Energy: 0.6142166354906186
Energy: 0.693049481430951
Energy: 0.6038172594778418
Energy: 0.693049481430951
Energy: 0.5977881596232597
Energy: 0.7152210718478204
Energy: 0.6151192783157041
Energy: 0.7152210718478204
Energy: 0.6157674622234538
Energy: 0.6796635182771631
Energy: 0.6296807093866917
Energy: 0.6796635182771631
Energy: 0.6102050420913173
Energy: 0.6840073902335608
Energy: 0.5994342092880851
Energy: 0.6840073901066325
Energy: 0.6168514809755334
Energy: 0.678259826400371
Energy: 0.6706197468687077
Energy: 0.6782598264013331
Energy: 0.7165283699612698
Energy: 0.7106571931993232
Energy: 0.5965705482212038
Energy: 0.7106571931993232
Energy: 0.6284957868520138
Energy: 0.6761104473872852
Energy: 0.6244549149546346
Energy: 0.6761104473863232
Energy: 0.6472796989901453
Energy: 0.6893087253126997
Energy: 0.6747164961383437
Energy: 0.6893087253136617
Energy: 0.6004662449808295
Energy: 0.6566863713903389
Energy: 0.6691082153619885
Energy: 0.6566863707373959
Energy: 0.6887661640828509
Energy: 0.6878772743704052
Energy: 0.6043393507791742
Energy: 0.6878772743704052
Energy: 0.5898119031075472
Energy: 0.6687990853201469
Energy: 0.6020146485213279
Energy: 0.6687990853153366

minimum gb energy = 0.588772126504552 eV
minimum distance =  2.58627034236061 Angstroms
sigma value = 25


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

Energy: 0.591650055772864
Energy: 0.694247666689819
Energy: 0.7814276822392391
Energy: 0.694247666689819
Energy: 0.6039840036847445
Energy: 0.7064178912141154
Energy: 0.6060710063379341
Energy: 0.7064178912188744
Energy: 0.6859512013812737
Energy: 0.7081881256348599
Energy: 0.6165385898389802
Energy: 0.7081881256408088
Energy: 0.6888868520560951
Energy: 0.7108804716067696
Energy: 0.6881954828889744
Energy: 0.7108804716067696
Energy: 0.6890106009245781
Energy: 0.6479078957659549
Energy: 0.6234932361259983
Energy: 0.6479078957279084
Energy: 0.6057769357651136
Energy: 0.7120918123971023
Energy: 0.7786119198766536
Energy: 0.7120918123947226
Energy: 0.6023526723568732
Energy: 0.6924289232229116
Energy: 0.5965337302498989
Energy: 0.6924289232241014
Energy: 0.6954086650882897
Energy: 0.701087457372651
Energy: 0.6079863837711614
Energy: 0.701087457372651
Energy: 0.5994605664037701
Energy: 0.6830353392970008
Energy: 0.5985362252294935
Energy: 0.6830353393053292
Energy: 0.7006235889645164
Energy: 0.6920333913432425
Energy: 0.6788645590682324
Energy: 0.6920333913349139
Energy: 0.621015894688544
Energy: 0.7073512582051411
Energy: 0.7823434599531564
Energy: 0.7073512582039512
Energy: 0.6119646742849499
Energy: 0.6675818455339021
Energy: 0.700560709126296
Energy: 0.6675818457158593
Energy: 0.7076232175535018
Energy: 0.7043827302719474
Energy: 0.5919836870831972
Energy: 0.704382730274327
Energy: 0.6026688486767536
Energy: 0.7161656768980628
Energy: 0.598837987204711
Energy: 0.7161656768980628
Energy: 0.6320400701348518
Energy: 0.7128679915956448
Energy: 0.6849449909754223
Energy: 0.7128679915956448
Energy: 0.6011253093933805
Energy: 0.6879359129538303
Energy: 0.6053988622714301
Energy: 0.6879359129573998
Energy: 0.6003153073286553
Energy: 0.6619246206582108
Energy: 0.6839474086400271
Energy: 0.6619246205987481

minimum gb energy = 0.591650055772864 eV
minimum distance =  2.62586873258277 Angstroms
sigma value = 17


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

Energy: 0.6493809231719732
Energy: 0.7021703784590508
Energy: 0.8207409815877091
Energy: 0.7021703784603984
Energy: 0.7015860589134533
Energy: 0.6661398229501229
Energy: 0.6234008637163405
Energy: 0.6661398241409235
Energy: 0.7566589605620021
Energy: 0.7176718753530973
Energy: 0.6139727702420436
Energy: 0.7176718753530973
Energy: 0.6406973411930988
Energy: 0.7083182152766409
Energy: 0.6672343538440018
Energy: 0.7083182152402842
Energy: 0.7084755203800643
Energy: 0.6870292994366262
Energy: 0.6291432981516623
Energy: 0.6870292999115006
Energy: 0.5984177062456013
Energy: 0.707939867452858
Energy: 0.8124392340914397
Energy: 0.7079398674683564
Energy: 0.605424621746085
Energy: 0.7028086617537077
Energy: 0.6189381781162765
Energy: 0.702808661753034
Energy: 0.7383178162338606
Energy: 0.7282994092178074
Energy: 0.6058002611147318
Energy: 0.7282994092198289
Energy: 0.5968523328098821
Energy: 0.7184430243599094
Energy: 0.7077473365331601
Energy: 0.7184430243558664
Energy: 0.7698815138480745
Energy: 0.668473291272118
Energy: 0.605938287075025
Energy: 0.6684732877899189
Energy: 0.6149366251315276
Energy: 0.7258362316468281
Energy: 0.815103656900375
Energy: 0.7258362316461543
Energy: 0.6194386076470352
Energy: 0.6604229845647784
Energy: 0.6169803481637438
Energy: 0.6604229845506279
Energy: 0.8242796935514115
Energy: 0.6934794237948047
Energy: 0.6697860322976504
Energy: 0.6934794238258013
Energy: 0.6065392284587084
Energy: 0.7098092241893407
Energy: 0.6944302834993554
Energy: 0.7098092241913622
Energy: 0.6704029731465068
Energy: 0.6923580369178348
Energy: 0.6239489378497379
Energy: 0.6923580370512248
Energy: 0.7059088508156224
Energy: 0.731287066163592
Energy: 0.7065271399579217
Energy: 0.7312870661622444
Energy: 0.6213891870882957
Energy: 0.6979029730438736
Energy: 0.7586593600081266
Energy: 0.6979029730445476
Energy: 0.7803954124189165
Energy: 0.6869478182314742
Energy: 0.5976203660552718
Energy: 0.6869478182974801
Energy: 0.6328148143754008
Energy: 0.6900828678710631
Energy: 0.6729903967624834
Energy: 0.6900828678542171
Energy: 0.6346434681361176
Energy: 0.7233833944004346
Energy: 0.6762611626223111
Energy: 0.7233833944172807
Energy: 0.6664195717597203
Energy: 0.7083493967907727
Energy: 0.697339925745249
Energy: 0.708349396793468
Energy: 0.6439867326135266
Energy: 0.7240521061972286
Energy: 0.7640557943367069
Energy: 0.7240521062315639
Energy: 0.7111518406979581
Energy: 0.7081783531745359
Energy: 0.606193584714419
Energy: 0.7081783531745359
Energy: 0.6333718227058615
Energy: 0.6937373073489408
Energy: 0.7985927135801807
Energy: 0.6937373073489408
Energy: 0.6325611618841837
Energy: 0.7220819233972552
Energy: 0.6903347222180903
Energy: 0.7220819233972552
Energy: 0.7215949452026874
Energy: 0.7026173782720786
Energy: 0.602586932187638
Energy: 0.7026173782714048
Energy: 0.6270342105101377
Energy: 0.7654419300545574
Energy: 0.7652359772367872
Energy: 0.7654419300538835
Energy: 0.6994547083190088
Energy: 0.7261033727904818
Energy: 0.7044766313401502
Energy: 0.7261033727904818
Energy: 0.762944463913016
Energy: 0.7284316230299839
Energy: 0.6138899156822991
Energy: 0.7284316230286363
Energy: 0.6080861889950846
Energy: 0.6969298034065335
Energy: 0.7206178109067193
Energy: 0.6969298034058597

minimum gb energy = 0.5968523328098821 eV
minimum distance =  2.51360714360808 Angstroms
sigma value = 53


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

Energy: 0.5407275456343111
Energy: 0.5888906301400021
Energy: 0.7955660527352701
Energy: 0.5888906301400021
Energy: 0.6788508368397448
Energy: 0.6067465566011105
Energy: 0.6472424153311294
Energy: 0.6067465565902515
Energy: 0.5411488021440638
Energy: 0.5738982478902228
Energy: 0.7082595437266839
Energy: 0.573898231615007
Energy: 0.57522432113187
Energy: 0.5725766156749044
Energy: 0.6345655346739519
Energy: 0.5725766156330544
Energy: 0.6790942390451146
Energy: 0.6256614078732196
Energy: 0.7154022783774748
Energy: 0.6256614078732196
Energy: 0.5407275456343111
Energy: 0.5888906301415534
Energy: 0.7640003956971041
Energy: 0.5888906301400021
Energy: 0.678850836830437
Energy: 0.6067465565018626
Energy: 0.7336171715347123
Energy: 0.6067465565235455
Energy: 0.5411488603803549
Energy: 0.5738976034066354
Energy: 0.7082595437266839
Energy: 0.57389761574638
Energy: 0.5752243183361103
Energy: 0.5725766138203606
Energy: 0.6631993555968607
Energy: 0.5725766138343223
Energy: 0.6790942390513196
Energy: 0.6256614078809408
Energy: 0.7412844690019808
Energy: 0.625661407882492
Energy: 0.5407275456343111
Energy: 0.5888906301415534
Energy: 0.8840630666519931
Energy: 0.5888906301415534
Energy: 0.6788508368273343
Energy: 0.6067465563359441
Energy: 0.7336171715347123
Energy: 0.6067465563328414
Energy: 0.5411488802746831
Energy: 0.5738971105975864
Energy: 0.7082595437266839
Energy: 0.5738971292219991

minimum gb energy = 0.5407275456343111 eV
minimum distance =  2.59945900328994 Angstroms
sigma value = 9


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

Energy: 0.6038988186061939
Energy: 0.7261388921861306
Energy: 0.8753238475324552
Energy: 0.7261388911530828
Energy: 0.7589455429431188
Energy: 0.6776382197726493
Energy: 0.633096956662576
Energy: 0.6776382184279882
Energy: 0.6270185984316735
Energy: 0.6403386544215101
Energy: 0.6442089904467176
Energy: 0.6403367556406734
Energy: 0.738391341993876
Energy: 0.7269976520099117
Energy: 0.6322600968816984
Energy: 0.7269976520087633
Energy: 0.7711043713181347
Energy: 0.6495813761606488
Energy: 0.6406098816428307
Energy: 0.6495810546384708
Energy: 0.605610801491415
Energy: 0.6693174980756448
Energy: 0.7345105126637612
Energy: 0.6693174979906948
Energy: 0.8487014714879153
Energy: 0.6473574777337456
Energy: 0.6374174925393217
Energy: 0.6473574777532412
Energy: 0.6298003758939212
Energy: 0.7323494814354133
Energy: 0.7337481301115366
Energy: 0.732349481437136
Energy: 0.6259515569615857
Energy: 0.726640635085798
Energy: 0.6170762858407323
Energy: 0.726640635049626
Energy: 0.6286195086832249
Energy: 0.6838444419574753
Energy: 0.630435922369756
Energy: 0.6838444419580495
Energy: 0.6289209617834536
Energy: 0.7224045631631393
Energy: 0.8585340978182331
Energy: 0.7224045631625651
Energy: 0.7598020484128517
Energy: 0.7396639811767329
Energy: 0.6319818799652259
Energy: 0.739663981173288
Energy: 0.6273717699926349
Energy: 0.679192775267896
Energy: 0.765001676398775
Energy: 0.6791927752724893
Energy: 0.7360792500310881
Energy: 0.7158041338865143
Energy: 0.6220060017304551
Energy: 0.7158041338859401
Energy: 0.6339527041653884
Energy: 0.697796034291595
Energy: 0.7247155759455712
Energy: 0.6977960342904466
Energy: 0.6345485075243251
Energy: 0.7321828736569037
Energy: 0.7342569121575324
Energy: 0.732182873658052
Energy: 0.6990877994255839
Energy: 0.702193018255107
Energy: 0.6386827410638419
Energy: 0.7021930182545328
Energy: 0.6366694515704109
Energy: 0.6884316186692716
Energy: 0.8417917685897299
Energy: 0.6884316186928123
Energy: 0.7186433080656451
Energy: 0.6797555861633454
Energy: 0.6115864342473792
Energy: 0.679755582901819
Energy: 0.6430084516311708
Energy: 0.661131537151452
Energy: 0.7086418816020966
Energy: 0.661131537162361
Energy: 0.726402948980687
Energy: 0.7373503768522778
Energy: 0.7338372990515991
Energy: 0.7373503768517037
Energy: 0.6846582875611383
Energy: 0.713915472285841
Energy: 0.6407578456386951
Energy: 0.7139154722852668
Energy: 0.6155462791042483
Energy: 0.7095259010586499
Energy: 0.635822625887227
Energy: 0.7095259011424253
Energy: 0.8300089978783652
Energy: 0.7132697480871811
Energy: 0.6315955486451523
Energy: 0.7132697480860329
Energy: 0.6333720731027053
Energy: 0.7912603259258264
Energy: 0.8196275931304537
Energy: 0.7912603259252522
Energy: 0.6887146256470553
Energy: 0.6598249558349163
Energy: 0.6281818138923341
Energy: 0.6598249155139307
Energy: 0.6853993115737973
Energy: 0.7048190106193418
Energy: 0.7368301144717506
Energy: 0.7048190106193418
Energy: 0.6262269441224441
Energy: 0.7157557677885186
Energy: 0.7402105011055823
Energy: 0.715755767932007
Energy: 0.6852428222570415
Energy: 0.6569732099211156
Energy: 0.630373082347116
Energy: 0.6569732100272833
Energy: 0.6321032658478745
Energy: 0.7862903847314583
Energy: 0.8154319928633919
Energy: 0.7862903847326067
Energy: 0.7939308213192408
Energy: 0.7133728509479743
Energy: 0.6227378742353108
Energy: 0.7133728509479743
Energy: 0.636165533465741
Energy: 0.6876667390672137
Energy: 0.6320340635980018
Energy: 0.6876667390660653
Energy: 0.6398361700769771
Energy: 0.6872736524103956
Energy: 0.6677745579150205
Energy: 0.6872736527805733
Energy: 0.7276679899471616
Energy: 0.7284455481483535
Energy: 0.7397886271376591
Energy: 0.728445548146631
Energy: 0.642739177657167
Energy: 0.7325622618512054
Energy: 0.8469434047829516
Energy: 0.7325622626437837

minimum gb energy = 0.6038988186061939 eV
minimum distance =  2.54080072891714 Angstroms
sigma value = 73


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

Energy: 0.6539029979436535
Energy: 0.7129166102874104
Energy: 0.8433838221571777
Energy: 0.7129166102874104
Energy: 0.7016867636913072
Energy: 0.6572461325327533
Energy: 0.6276928822525611
Energy: 0.6572463712571789
Energy: 0.6319167553105539
Energy: 0.7128009335968564
Energy: 0.6530196820191765
Energy: 0.7128009335968564
Energy: 0.6404692618764443
Energy: 0.7085947248164665
Energy: 0.6443243412324654
Energy: 0.7085947248173567
Energy: 0.6938783977906474
Energy: 0.6749001694569863
Energy: 0.6449607921296766
Energy: 0.6749001694706298
Energy: 0.6324676862317361
Energy: 0.7147501582977505
Energy: 0.8002246784426825
Energy: 0.7147501583214146
Energy: 0.8421201581260949
Energy: 0.7417381146511252
Energy: 0.6379538326414486
Energy: 0.7417381146638579
Energy: 0.6345021960536998
Energy: 0.6459902063686976
Energy: 0.7871057579674864
Energy: 0.6459893308300525
Energy: 0.8466342905259255
Energy: 0.6811427313077262
Energy: 0.6064036900932263
Energy: 0.6811427312986167
Energy: 0.634574505379799
Energy: 0.6693266267663429
Energy: 0.6335944679939172
Energy: 0.6693266267982056
Energy: 0.6400241152201293
Energy: 0.7166029645111318
Energy: 0.7760297224898663
Energy: 0.7166029645038441
Energy: 0.7522871426661495
Energy: 0.7041264241354429
Energy: 0.643676352600531
Energy: 0.704126424137244
Energy: 0.6333530645371027
Energy: 0.6913475792633335
Energy: 0.899113672634593
Energy: 0.6913475792624224
Energy: 0.8044436623107986
Energy: 0.7049579502338734
Energy: 0.6298335469617914
Energy: 0.7049579502347844
Energy: 0.6232989832199081
Energy: 0.6928645670703678
Energy: 0.7998804796215745
Energy: 0.6928645670703678
Energy: 0.7828972384288918
Energy: 0.7278295225234479
Energy: 0.6438981705836991
Energy: 0.7278295225234479
Energy: 0.6667931035692893
Energy: 0.7149256487087671
Energy: 0.6346169528343115
Energy: 0.714925648776157
Energy: 0.6642341878247956
Energy: 0.6835450275084152
Energy: 0.6330862743366853
Energy: 0.6835450275211685
Energy: 0.6749709945112053
Energy: 0.6345865255950932
Energy: 0.6347733219560392
Energy: 0.6345940587026879
Energy: 0.6450879265030325
Energy: 0.7559106542820864
Energy: 0.8158092014459158
Energy: 0.7559106542019637
Energy: 0.7980463942303865
Energy: 0.714667964484003
Energy: 0.629472507283194
Energy: 0.714667964482181
Energy: 0.6471433470598674
Energy: 0.6816717098629755
Energy: 0.7221513377064895
Energy: 0.6816717257201909

minimum gb energy = 0.6064036900932263 eV
minimum distance =  2.54309859333092 Angstroms
sigma value = 7


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

Energy: 0.6298034356128327
Energy: 0.7179501049750417
Energy: 0.8624704532767365
Energy: 0.71795010497633
Energy: 0.8243827862950206
Energy: 0.7005550494774249
Energy: 0.6517734324713682
Energy: 0.7005549939808838
Energy: 0.6693014506933536
Energy: 0.745813486218295
Energy: 0.6912150356412339
Energy: 0.745813486218295
Energy: 0.6952962345877011
Energy: 0.6954147049510954
Energy: 0.6438782502146915
Energy: 0.695414705503535
Energy: 0.661258476313318
Energy: 0.699812675834804
Energy: 0.6589018791691937
Energy: 0.6998126758341598
Energy: 0.6359868360656862
Energy: 0.7412518678910002
Energy: 0.8248991174131216
Energy: 0.7412518678929326
Energy: 0.7930276522266307
Energy: 0.7556858938661146
Energy: 0.6870992798780855
Energy: 0.7556858939607449
Energy: 0.6305512193858375
Energy: 0.7727779707513025
Energy: 0.8761011107032168
Energy: 0.772777970753879
Energy: 0.8777999317714398
Energy: 0.6943270549763549
Energy: 0.6283686116584672
Energy: 0.6943270549679811
Energy: 0.6622125493277675
Energy: 0.7053575219762852
Energy: 0.778902068488232
Energy: 0.7053575220059158
Energy: 0.6920865769316935
Energy: 0.7254019265749352
Energy: 0.6797453070827955
Energy: 0.7254019265755792
Energy: 0.6744333896905015
Energy: 0.6927493919988985
Energy: 0.6722101143974815
Energy: 0.6927493919988985
Energy: 0.6458328670784154
Energy: 0.6988986052449868
Energy: 0.7941424028756181
Energy: 0.6988986052443428
Energy: 0.6920950930176388
Energy: 0.6997607314798817
Energy: 0.6837519535469628
Energy: 0.6997607315944804
Energy: 0.6511034810128709
Energy: 0.7714047981700366
Energy: 0.7863778612599287
Energy: 0.7714047981706807
Energy: 0.8535597367825023
Energy: 0.7236929394741684
Energy: 0.6366209043172281
Energy: 0.7236929394722359
Energy: 0.6441899088508024
Energy: 0.7222421054033883
Energy: 0.7100851179268588
Energy: 0.7222421054040323
Energy: 0.6665786882836395
Energy: 0.7717936381609553
Energy: 0.6759955832932104
Energy: 0.7717936381622436
Energy: 0.6482257486631049
Energy: 0.7459851961075967
Energy: 0.6781751972202507
Energy: 0.7459851961050202
Energy: 0.6490944196995946
Energy: 0.6990172135988396
Energy: 0.6699152896995739
Energy: 0.6990172136387764
Energy: 0.7089874926219472
Energy: 0.7351390656606813
Energy: 0.6349919555176704
Energy: 0.7351390656593931
Energy: 0.650063339360791
Energy: 0.7353007356647574
Energy: 0.7969479043850819
Energy: 0.7353007596123546
Energy: 0.8417834133443872
Energy: 0.6861837631433774
Energy: 0.6594119038307339
Energy: 0.6861837122027663
Energy: 0.6323051113896851
Energy: 0.7104944489485561
Energy: 0.8648053478540539
Energy: 0.71049445065931
Energy: 0.6931012640014022
Energy: 0.685284541513539
Energy: 0.6411052614863798
Energy: 0.6852845415283542
Energy: 0.7102454683298607
Energy: 0.7334793635613439
Energy: 0.6771540363964575
Energy: 0.7334793633321464
Energy: 0.6657575169688428
Energy: 0.7123052652832862
Energy: 0.6376846209192794
Energy: 0.7123052652839305
Energy: 0.7079742813159307
Energy: 0.7075607954024967
Energy: 0.6420684668100807
Energy: 0.7075607954050733
Energy: 0.6239968656607469
Energy: 0.6702230043326842
Energy: 0.7590720137308065
Energy: 0.6702229442087719
Energy: 0.7350578534690181
Energy: 0.6843600045292436
Energy: 0.6611858023015026
Energy: 0.684360000897892
Energy: 0.6300894958269807
Energy: 0.6917706922555273
Energy: 0.7712397784084849
Energy: 0.6917706924357995

minimum gb energy = 0.6239968656607469 eV
minimum distance =  2.55386821667882 Angstroms
sigma value = 29


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

Energy: 0.6075342139133024
Energy: 0.6649292968923628
Energy: 0.6895717531446134
Energy: 0.6649292968923628
Energy: 0.6853875768014549
Energy: 0.7016156204160291
Energy: 0.6781338982941818
Energy: 0.7016156293478945
Energy: 0.6404051015005016
Energy: 0.6335669994396358
Energy: 0.7592690201414964
Energy: 0.633566999439187
Energy: 0.6349552205414342
Energy: 0.6389988529069748
Energy: 0.6741797038433517
Energy: 0.638998853579321
Energy: 0.5949746047279468
Energy: 0.6228072162706988
Energy: 0.7570946849480749
Energy: 0.6228072162865047
Energy: 0.6048076264017115
Energy: 0.6137107723848799
Energy: 0.6067574299535545
Energy: 0.6137107723846555
Energy: 0.6240513828152325
Energy: 0.6277728124413609
Energy: 0.6153418347890268
Energy: 0.6277728124422334
Energy: 0.6880961118099604
Energy: 0.6486054801590144
Energy: 0.6319062719064776
Energy: 0.6486054801590144
Energy: 0.765247596032665
Energy: 0.6442630890799593
Energy: 0.7462293871996029
Energy: 0.6442630890799593

minimum gb energy = 0.5949746047279468 eV
minimum distance =  2.62057878957834 Angstroms
sigma value = 5


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

Energy: 0.5956475386435011
Energy: 0.6500686793196189
Energy: 0.7249792137207793
Energy: 0.6500686793257034
Energy: 0.7325507099305958
Energy: 0.7645598660136421
Energy: 0.6108764902263556
Energy: 0.7645598660136421
Energy: 0.6015798566638791
Energy: 0.6847808440967792
Energy: 0.8149083140697982
Energy: 0.6847808440979961
Energy: 0.7085285218401762
Energy: 0.7029946867739734
Energy: 0.6031344346383616
Energy: 0.7029946867733647
Energy: 0.6262815507478051
Energy: 0.6706740762388985
Energy: 0.7387848000014391
Energy: 0.6706740761044819
Energy: 0.7203102423504583
Energy: 0.6964759263826641
Energy: 0.6065887755960138
Energy: 0.6964759263765794
Energy: 0.6251780990663253
Energy: 0.6501352999396419
Energy: 0.6032360292336597
Energy: 0.6501352999475244
Energy: 0.6245672256184517
Energy: 0.707146112076305
Energy: 0.6490463642317328
Energy: 0.7071461120744795
Energy: 0.6183310372084899
Energy: 0.6396207589349575
Energy: 0.6571361759340497
Energy: 0.6396207934740031
Energy: 0.614569514158972
Energy: 0.691230503413931
Energy: 0.6832991248785841
Energy: 0.6912305034206242
Energy: 0.686870945699101
Energy: 0.7399308257742312
Energy: 0.6135097115276124
Energy: 0.7399308257736227
Energy: 0.6172032539707365
Energy: 0.7103666701600732
Energy: 0.7663624533203303
Energy: 0.7103666698936739
Energy: 0.6556465303877778
Energy: 0.646681100069974
Energy: 0.6092008374532372
Energy: 0.6466811001107414
Energy: 0.6222338643259759
Energy: 0.6950363853642054
Energy: 0.7635751550129498
Energy: 0.6950363840851742
Energy: 0.8335728856039568
Energy: 0.747105406409715
Energy: 0.6092624708248565
Energy: 0.7471054064109319
Energy: 0.5938040572711777
Energy: 0.6460549179699043
Energy: 0.7727471730840064
Energy: 0.6460549179711212
Energy: 0.7639064312006315
Energy: 0.6762231751213098
Energy: 0.643937300262719
Energy: 0.6762231740167987
Energy: 0.6079944062595566
Energy: 0.687554603908402
Energy: 0.7726538806248446
Energy: 0.6875546039090104
Energy: 0.6899568168221896
Energy: 0.7016730012308159
Energy: 0.6159479096906749
Energy: 0.7016730012302074
Energy: 0.6198435058035848
Energy: 0.75785205360117
Energy: 0.654329214727873
Energy: 0.7578520535956939
Energy: 0.6647690925495359
Energy: 0.7224330545456868
Energy: 0.6244906844741712
Energy: 0.7224330545444698
Energy: 0.6319736192834607
Energy: 0.6385582224778785
Energy: 0.6288147680969309
Energy: 0.6385582226475585
Energy: 0.602462776127765
Energy: 0.7403292545092323
Energy: 0.6345575303298038
Energy: 0.7403292545092323
Energy: 0.6441734898063525
Energy: 0.7132111232930022
Energy: 0.6341197087128253
Energy: 0.7132111232990869
Energy: 0.6105011876643255
Energy: 0.6927804300418766
Energy: 0.6623584862811274
Energy: 0.6927804300601308
Energy: 0.6906240656658647
Energy: 0.6987246123703826
Energy: 0.6368624989029713
Energy: 0.6987246123709911
Energy: 0.5970849730810062
Energy: 0.7032236899064604
Energy: 0.6705378668388547
Energy: 0.7032236899064604
Energy: 0.8612164720923342
Energy: 0.7668335313700924
Energy: 0.5954570324267152
Energy: 0.76683353136705
Energy: 0.6167149307107915
Energy: 0.7593158853967213
Energy: 0.8052195943579982
Energy: 0.7593158853961128
Energy: 0.7697121280377538
Energy: 0.6888408832757348
Energy: 0.6095286905883177
Energy: 0.6888408832751263
Energy: 0.6041083349480129
Energy: 0.6415339284992477
Energy: 0.8218320506554458
Energy: 0.6415339284992477
Energy: 0.7819538384242761
Energy: 0.7434418887395343
Energy: 0.6261510002588171
Energy: 0.7434418887395343
Energy: 0.598134673134807
Energy: 0.7673732858000444
Energy: 0.778599889166736
Energy: 0.7673732858006529

minimum gb energy = 0.5938040572711777 eV
minimum distance =  2.4729726614757 Angstroms
sigma value = 1


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

Energy: 0.6360959504384676
Energy: 0.6648860006234084
Energy: 0.8456797608496652
Energy: 0.6648860006166969
Energy: 0.6730229191808621
Energy: 0.7317597117397339
Energy: 0.5810448163764314
Energy: 0.7317597117363684
Energy: 0.5747298109417632
Energy: 0.6722338655956223
Energy: 0.750422109241182
Energy: 0.672233865597305
Energy: 0.6587266940200535
Energy: 0.722191195002764
Energy: 0.5785731598242585
Energy: 0.7221911950019225
Energy: 0.606728827963469
Energy: 0.6991016182451434
Energy: 0.7713082693489259
Energy: 0.6991016182451434
Energy: 0.6382551116398233
Energy: 0.761180941197989
Energy: 0.5770436419390507
Energy: 0.7611809411971476
Energy: 0.575087363048687
Energy: 0.6258099698386281
Energy: 0.6550659740872025
Energy: 0.6258099727222006
Energy: 0.5818278047924953
Energy: 0.694634947819332
Energy: 0.6045951460746447
Energy: 0.6946349478201732
Energy: 0.58866288903951
Energy: 0.6935186698062833
Energy: 0.6178253230204629
Energy: 0.6935186698071245
Energy: 0.5874408491971
Energy: 0.6755989571904221
Energy: 0.6067764924722642
Energy: 0.6755989571904221
Energy: 0.6108528504668064
Energy: 0.7229075256987486
Energy: 0.5972342051760663
Energy: 0.7229075256937008
Energy: 0.6015421642948363
Energy: 0.6153404317213591
Energy: 0.6626229643470177
Energy: 0.6153411694955478
Energy: 0.666822079712774
Energy: 0.7693853129769945
Energy: 0.5748293645760686
Energy: 0.7693853129778357
Energy: 0.5846336478582669
Energy: 0.6741431466531868
Energy: 0.6392951325725
Energy: 0.6741431466422497
Energy: 0.7627214489903495
Energy: 0.6937936240154299
Energy: 0.5691111007083558
Energy: 0.6937936240154299
Energy: 0.5753247919590337
Energy: 0.6664241323399492
Energy: 0.6332949172407204
Energy: 0.6664241323407905
Energy: 0.7809342450808512
Energy: 0.7716807844184178
Energy: 0.5865515697081443
Energy: 0.7716807844184178
Energy: 0.6360959504325784
Energy: 0.6648860005872512
Energy: 0.8409267237893642
Energy: 0.6648860005830446
Energy: 0.6729541666369704
Energy: 0.7317597117691605
Energy: 0.5810448163722248
Energy: 0.7317597117691605
Energy: 0.5747298109392583
Energy: 0.6722338655981461
Energy: 0.7504221182408907
Energy: 0.6722338655939397
Energy: 0.6587268336240177
Energy: 0.7221911949935094
Energy: 0.5785731598099754
Energy: 0.7221911949935094
Energy: 0.6067288279357058
Energy: 0.6991016182417781
Energy: 0.7713082687552284
Energy: 0.6991016182426194
Energy: 0.6382551115750805
Energy: 0.761180941197989
Energy: 0.5770436414193503
Energy: 0.7611809411971476
Energy: 0.5750873630394324
Energy: 0.6258100676866895
Energy: 0.6509697788825992
Energy: 0.6258100393386944

minimum gb energy = 0.5691111007083558 eV
minimum distance =  2.54738722501916 Angstroms
sigma value = 17


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

Energy: 0.5705697953387623
Energy: 0.6007621782415904
Energy: 0.7602446740433957
Energy: 0.6007621598527508
Energy: 0.723559694831211
Energy: 0.6671124070019201
Energy: 0.5849138160057087
Energy: 0.6671124070014002
Energy: 0.5762309783720236
Energy: 0.6481596835295291
Energy: 0.7431537822903501
Energy: 0.6481596842738337
Energy: 0.8060492070908686
Energy: 0.6674130750216838
Energy: 0.5735629378622662
Energy: 0.6674130750237637
Energy: 0.5886906345717366
Energy: 0.6712695899841861
Energy: 0.7265906448418917
Energy: 0.6712695585279661
Energy: 0.6636455509581876
Energy: 0.7338486614792578
Energy: 0.5807559149025211
Energy: 0.7338486608477452
Energy: 0.6043722468191194
Energy: 0.6670780554286667
Energy: 0.6259979529401298
Energy: 0.6670780554380267
Energy: 0.6569410278390809
Energy: 0.6716166711920056
Energy: 0.5794644872854582
Energy: 0.6716166711982458
Energy: 0.600014017630615
Energy: 0.6652997932566298
Energy: 0.6430657113868725
Energy: 0.6652997932789896
Energy: 0.6163392025011476
Energy: 0.7202004445709903
Energy: 0.586450256357566
Energy: 0.7202004443927259
Energy: 0.5845466616889073
Energy: 0.7095821245003727
Energy: 0.621915303384752
Energy: 0.7095821244972528
Energy: 0.6036860336186703
Energy: 0.6100891781737774
Energy: 0.6146789184559402
Energy: 0.6100891781763774
Energy: 0.5909446235996364
Energy: 0.7347453202381944
Energy: 0.577395866458165
Energy: 0.7347453202366344
Energy: 0.6053819388726288
Energy: 0.6213173520526635
Energy: 0.6143982535549463
Energy: 0.621317345889282
Energy: 0.6408826148593562
Energy: 0.7102245854943781
Energy: 0.5911344756426715
Energy: 0.7102245855182979
Energy: 0.6034112061257026
Energy: 0.6943092901890547
Energy: 0.7131557801481039
Energy: 0.6943092901864549
Energy: 0.6707815784536169
Energy: 0.6702221915106176
Energy: 0.5774742193559926
Energy: 0.6702221914970976
Energy: 0.5681526710205558
Energy: 0.653735538921556
Energy: 0.6961480176428372
Energy: 0.653735538921556
Energy: 0.7822073397378034
Energy: 0.7544871820036034
Energy: 0.5842392441595587
Energy: 0.7544871820020908
Energy: 0.5656901306106691
Energy: 0.6112023622513946
Energy: 0.7600351142587402
Energy: 0.6112023622539946
Energy: 0.782627343131478
Energy: 0.6648959441069462
Energy: 0.6009007703084995
Energy: 0.6648959441064263
Energy: 0.584623162527289
Energy: 0.6905413347363653
Energy: 0.7746710480539618
Energy: 0.6905413347415652
Energy: 0.7676227672029953
Energy: 0.6686525681004686
Energy: 0.5708162921912786
Energy: 0.6686525680999487
Energy: 0.5845834737972108
Energy: 0.6760744074239118
Energy: 0.7174734292691095
Energy: 0.6760744073620795
Energy: 0.6983931598785416
Energy: 0.6504648054074067
Energy: 0.5659511637720809
Energy: 0.6504648075769283
Energy: 0.5910706646562806
Energy: 0.6196792718443036
Energy: 0.6539856552306142
Energy: 0.61967927214732
Energy: 0.6826895317810857
Energy: 0.7204414359666118
Energy: 0.5992161835885708
Energy: 0.7204414359676518
Energy: 0.5874374958220335
Energy: 0.7120611194708502
Energy: 0.6048790997078779
Energy: 0.7120611194698102
Energy: 0.6189562181225423
Energy: 0.6684988221628704
Energy: 0.60889977411704
Energy: 0.668498822098438
Energy: 0.5827879857498691
Energy: 0.7113341495634529
Energy: 0.6078166227454104
Energy: 0.7113341495613729
Energy: 0.5963364566965802
Energy: 0.6241586009131048
Energy: 0.6062393291088091
Energy: 0.6241586009281846
Energy: 0.5992950320699658
Energy: 0.7109047308859118
Energy: 0.583343880936173
Energy: 0.7109047308838318
Energy: 0.6027094502746262
Energy: 0.6727673735073413
Energy: 0.693389228141424
Energy: 0.6727673720920515
Energy: 0.620518851186021
Energy: 0.6818431006305565
Energy: 0.5813220461293255
Energy: 0.6818431006300366
Energy: 0.5798845929746249
Energy: 0.6896973264317469
Energy: 0.696096574233786
Energy: 0.6896973264260269
Energy: 0.6220473749260685
Energy: 0.6783593284042307
Energy: 0.5925695061699543
Energy: 0.6783593284000707
Energy: 0.5756004203822788
Energy: 0.7336419174720124
Energy: 0.7279818168267207
Energy: 0.7336419174699325
Energy: 0.735589466336508
Energy: 0.6852049858221991
Energy: 0.585598834021831
Energy: 0.6852049858554315

minimum gb energy = 0.5656901306106691 eV
minimum distance =  2.54536099864716 Angstroms
sigma value = 89


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

Energy: 0.5023036949145646
Energy: 0.5575063042103917
Energy: 0.8097183141047122
Energy: 0.5575063042103917
Energy: 0.7497066332198186
Energy: 0.5531772895048233
Energy: 0.5318937163844758
Energy: 0.5531772895347559
Energy: 0.5219330626330538
Energy: 0.6612419773795721
Energy: 0.7961354586497286
Energy: 0.6612419773809327
Energy: 0.7901611025485938
Energy: 0.5436293639019582
Energy: 0.5301315691168659
Energy: 0.5436293638815802
Energy: 0.5261405145304896
Energy: 0.6419059053840995
Energy: 0.825017886003737
Energy: 0.6419059057852852
Energy: 0.5789591989075892
Energy: 0.5660898229683523
Energy: 0.5038933747459003
Energy: 0.5660898229683523
Energy: 0.5123024191089267
Energy: 0.565574935279068
Energy: 0.5637661611130483
Energy: 0.5655749310264205
Energy: 0.6645432359215223
Energy: 0.6859307818414655
Energy: 0.526269736895611
Energy: 0.6859307818414655
Energy: 0.5272265545783902
Energy: 0.5547220497391155
Energy: 0.6984687684282824
Energy: 0.5547220497418366
Energy: 0.6748799772866081
Energy: 0.6527837155652771
Energy: 0.6124743967665296
Energy: 0.6527837155652771
Energy: 0.5262340905907631
Energy: 0.5584196351146716
Energy: 0.5320593530709649
Energy: 0.5584196351092293
Energy: 0.5379691625557548
Energy: 0.5676553236224726
Energy: 0.5168859959016501
Energy: 0.5676553235014428
Energy: 0.5456893219689731
Energy: 0.6435349938950874
Energy: 0.6569821302460213
Energy: 0.6435348628546279
Energy: 0.5499596311029473
Energy: 0.5598286047053082
Energy: 0.5469642090754442
Energy: 0.5598286047053082
Energy: 0.5707859231697445
Energy: 0.6529038357746457
Energy: 0.528129449480364
Energy: 0.6529038357746457

minimum gb energy = 0.5023036949145646 eV
minimum distance =  2.56081251568601 Angstroms
sigma value = 13


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

Energy: 0.5018793221422211
Energy: 0.665709642964663
Energy: 0.8303843041989794
Energy: 0.6657096429635224
Energy: 0.6464009240475987
Energy: 0.6537590983154228
Energy: 0.5179601970877502
Energy: 0.6537590982088344
Energy: 0.5040508518783805
Energy: 0.6750249788702071
Energy: 0.7532849079811226
Energy: 0.6750249788713477
Energy: 0.7674020718222785
Energy: 0.6658708258676042
Energy: 0.5111578386237307
Energy: 0.6658708258619015
Energy: 0.5206384407030599
Energy: 0.7051483962196057
Energy: 0.552160554755159
Energy: 0.7051483962178948
Energy: 0.6937792303067865
Energy: 0.6213800359792394
Energy: 0.5058588199655862
Energy: 0.6213800359718259
Energy: 0.5229497380413561
Energy: 0.7069463744646315
Energy: 0.6450661213013069
Energy: 0.7069463744646315
Energy: 0.5843920981227655
Energy: 0.6879035361804672
Energy: 0.5110043471525614
Energy: 0.687903536194698
Energy: 0.5207490324340669
Energy: 0.6747141130207893
Energy: 0.6151409767737822
Energy: 0.6747141129438289
Energy: 0.5969583412387032
Energy: 0.7084611789863057
Energy: 0.5093402878956222
Energy: 0.708461178982884
Energy: 0.5161724958996282
Energy: 0.6197839117834092
Energy: 0.5882239375397147
Energy: 0.6197839117788471
Energy: 0.6270837984904106
Energy: 0.6599726772254
Energy: 0.5254995489680165
Energy: 0.6599726696573058
Energy: 0.5150011772016189
Energy: 0.6571636114698916
Energy: 0.5725548763499682
Energy: 0.6571636108742194
Energy: 0.6636242011544006
Energy: 0.6566640018233129
Energy: 0.5203333497258216
Energy: 0.6566639984904266
Energy: 0.5205978076573187
Energy: 0.6778288462851771
Energy: 0.5300053292435379
Energy: 0.6778288462863177
Energy: 0.550922881354683
Energy: 0.6038729006825194
Energy: 0.5298937390483933
Energy: 0.6038729006756761
Energy: 0.5258348377528018
Energy: 0.6936321186209832
Energy: 0.5271237048928037
Energy: 0.6936321186312481
Energy: 0.542262695468588
Energy: 0.667902638441469
Energy: 0.5247389815369872
Energy: 0.667902638565736
Energy: 0.5286785995559774
Energy: 0.69738236826633
Energy: 0.5320745638520066
Energy: 0.6973823680434585
Energy: 0.5299213282243351
Energy: 0.6982161636442709
Energy: 0.5361207555032582
Energy: 0.6982161638175548
Energy: 0.5336262878794634
Energy: 0.6673432582785419
Energy: 0.5271047236045899
Energy: 0.6673432582973607
Energy: 0.5278418589931849
Energy: 0.6547825109131129
Energy: 0.5281752557381383
Energy: 0.6547825109814934
Energy: 0.5482048031924158
Energy: 0.6220843229984485
Energy: 0.5279789082422678
Energy: 0.6220843229933161
Energy: 0.5139294775075346
Energy: 0.6836383787493199
Energy: 0.5364332622219588
Energy: 0.6836383787498901
Energy: 0.6656011604558386
Energy: 0.6730791073692942
Energy: 0.5202963223265359
Energy: 0.6730791092680314
Energy: 0.5203194673900786
Energy: 0.6805417404032431
Energy: 0.5342459028232238
Energy: 0.6805417403582179
Energy: 0.6224904263015761
Energy: 0.7023482740945121
Energy: 0.5211263247257105
Energy: 0.7023482740996445
Energy: 0.5188465200834107
Energy: 0.6185342678315036
Energy: 0.5599013050921937
Energy: 0.6185342678297928
Energy: 0.5926596333374808
Energy: 0.7006969327378294
Energy: 0.5102549873478284
Energy: 0.7006969315732878
Energy: 0.5252705520605782
Energy: 0.6896488583410063
Energy: 0.6057322897822296
Energy: 0.6896488583427172
Energy: 0.5156316744682328
Energy: 0.6850848721808951
Energy: 0.5074465117290284
Energy: 0.6850848721854573
Energy: 0.5158043383772306
Energy: 0.7032738088930779
Energy: 0.6529074094265541
Energy: 0.7032738088816726
Energy: 0.6986703814167023
Energy: 0.6076597498071402
Energy: 0.5060417496902639
Energy: 0.60765974980657
Energy: 0.5214494532228896
Energy: 0.7005493943556046
Energy: 0.7218215928655118
Energy: 0.7005493943533235
Energy: 0.7601642497336758
Energy: 0.6615611512155134
Energy: 0.5067174579830898
Energy: 0.6615611512132323

minimum gb energy = 0.5018793221422211 eV
minimum distance =  2.49204279283199 Angstroms
sigma value = 37


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

Energy: 0.5259278758225592
Energy: 0.5756707127167812
Energy: 0.7729878348896367
Energy: 0.5756707127167812
Energy: 0.5934497554203851
Energy: 0.6106154533881174
Energy: 0.4657960509278967
Energy: 0.6106154533881174
Energy: 0.47059414335561905
Energy: 0.6986931075581254
Energy: 0.8017052704048189
Energy: 0.6986931075267516
Energy: 0.7400047261986199
Energy: 0.5596464428590179
Energy: 0.46583723154711626
Energy: 0.5596464428609801
Energy: 0.4616838456106693
Energy: 0.6007334350148776
Energy: 0.6815634782785764
Energy: 0.6007334350148776
Energy: 0.6703520195693402
Energy: 0.650754479913863
Energy: 0.5238267485813318
Energy: 0.650754479913863
Energy: 0.4800902859882176
Energy: 0.7024318382698208
Energy: 0.6877501968882079
Energy: 0.7024318382708019
Energy: 0.5096226950107076
Energy: 0.5017210520171919
Energy: 0.46034103191056075
Energy: 0.5017210520230787
Energy: 0.4732317435869462
Energy: 0.6050708395232742
Energy: 0.576000596979984
Energy: 0.605070839522293
Energy: 0.7521828680759951
Energy: 0.6983406231180768
Energy: 0.5243202721832707
Energy: 0.6983406231180768
Energy: 0.492218240744303
Energy: 0.6758269511531775
Energy: 0.5942546121281794
Energy: 0.6758269511531775
Energy: 0.73958691919657
Energy: 0.5997896076515845
Energy: 0.46749102442421864
Energy: 0.5997896076525657
Energy: 0.534586584849486
Energy: 0.6505346541712423
Energy: 0.5851242383105895
Energy: 0.6505346541712423
Energy: 0.6485777886607912
Energy: 0.700168785829648
Energy: 0.4796349932034952
Energy: 0.7001687858267047
Energy: 0.5417269215472023
Energy: 0.5732708712554172
Energy: 0.4983588414512979
Energy: 0.5732708711181261
Energy: 0.5698699584753525
Energy: 0.603357565385593
Energy: 0.47442197359069277
Energy: 0.6033575653865741
Energy: 0.5315277760297926
Energy: 0.6842517456305907
Energy: 0.48757009082287245
Energy: 0.6842517456325529
Energy: 0.5621204258664392
Energy: 0.6743515950252634
Energy: 0.486396423129998
Energy: 0.6743515950252634
Energy: 0.4837654804821147
Energy: 0.512581923362405
Energy: 0.49085860290109107
Energy: 0.5125819189944
Energy: 0.5343529053970402
Energy: 0.6460609919196943
Energy: 0.5415613851699912
Energy: 0.6460609919206755

minimum gb energy = 0.46034103191056075 eV
minimum distance =  2.55592179158274 Angstroms
sigma value = 25


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

Energy: 0.4779605772997079
Energy: 0.6432883267671238
Energy: 0.7990763988576411
Energy: 0.6432883267671238
Energy: 0.7727870500469551
Energy: 0.6264565407115061
Energy: 0.42272180404796506
Energy: 0.6264565407115061
Energy: 0.46385419444731596
Energy: 0.49995512457365565
Energy: 0.7319039568905126
Energy: 0.4999551245782524
Energy: 0.6557282169428157
Energy: 0.5967421415023008
Energy: 0.42727746992385873
Energy: 0.5967421415023008
Energy: 0.42798537578426055
Energy: 0.6190948574805907
Energy: 0.673979641254274
Energy: 0.6190948574836552
Energy: 0.7142941259249724
Energy: 0.6304609130996787
Energy: 0.42789411115610904
Energy: 0.6304609130996787
Energy: 0.4912482196046273
Energy: 0.556244052405108
Energy: 0.6629732710539721
Energy: 0.556244052405108
Energy: 0.7580583902988293
Energy: 0.5906323926436939
Energy: 0.4668246556399623
Energy: 0.5906323926390972
Energy: 0.4274584655517085
Energy: 0.6215418825816655
Energy: 0.7078700373636421
Energy: 0.6215418823933013
Energy: 0.4331016609724597
Energy: 0.6186490515448105
Energy: 0.43375566586839537
Energy: 0.6186490515425122
Energy: 0.42222375088598735
Energy: 0.5525174992964696
Energy: 0.7374630454428757
Energy: 0.5525174992972358
Energy: 0.6908437140462763
Energy: 0.646119160124417
Energy: 0.4742721878184511
Energy: 0.6461191601320782
Energy: 0.4206908925775098
Energy: 0.5919913822493106
Energy: 0.7114096074318699
Energy: 0.5919913822523751
Energy: 0.6836908609967399
Energy: 0.6328407835905147
Energy: 0.4227085526373491
Energy: 0.6328407835905147
Energy: 0.42936723483333905
Energy: 0.5865718603286992
Energy: 0.542150094533975
Energy: 0.5865718603294653
Energy: 0.6197894462811875
Energy: 0.6462085906923625
Energy: 0.43851219825256327
Energy: 0.6462085906923625
Energy: 0.4731482402808438
Energy: 0.6038326734143783
Energy: 0.4942584041326035
Energy: 0.603832673424338
Energy: 0.573549495818982
Energy: 0.6196263804226415
Energy: 0.41914338496097453
Energy: 0.6196263804969215
Energy: 0.48889785573109285
Energy: 0.6529301228381161
Energy: 0.4695754482552022
Energy: 0.6529301228373501
Energy: 0.6950790577310277
Energy: 0.6317969998603061
Energy: 0.432859689369993
Energy: 0.6317969998672014
Energy: 0.47319874639934667
Energy: 0.6479960855496318
Energy: 0.5002768810619562
Energy: 0.6479960855488658
Energy: 0.5092166890275136
Energy: 0.5960824825862447
Energy: 0.42689832596295824
Energy: 0.5960824824461122
Energy: 0.4343821230467691
Energy: 0.6376075442910151
Energy: 0.590487813111859
Energy: 0.6376075442910151
Energy: 0.5144527830553565
Energy: 0.6315931086703916
Energy: 0.44268170315213123
Energy: 0.6315931086282892
Energy: 0.44031284367130624
Energy: 0.6416283217329788
Energy: 0.6196619113645542
Energy: 0.6416283216900756
Energy: 0.4454853248419464
Energy: 0.5894754903036737
Energy: 0.47896933627029004
Energy: 0.5894754899950615

minimum gb energy = 0.41914338496097453 eV
minimum distance =  2.49532723464306 Angstroms
sigma value = 41


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

Energy: 0.5483750207249163
Energy: 0.5670626626564111
Energy: 0.7607367696615775
Energy: 0.567062662970948
Energy: 0.7558540043655917
Energy: 0.5690602364808356
Energy: 0.4028154960868916
Energy: 0.5690602364808356
Energy: 0.39142656766003847
Energy: 0.5562987934369346
Energy: 0.7466415497386191
Energy: 0.5562987934369346
Energy: 0.7170083164073109
Energy: 0.5763020843085254
Energy: 0.38826025356366833
Energy: 0.5763020843091533
Energy: 0.39188378210437275
Energy: 0.5634641167477494
Energy: 0.6439309596634101
Energy: 0.5634641166855958
Energy: 0.456304842349921
Energy: 0.5702570028384879
Energy: 0.3990319264058456
Energy: 0.5702570028378597
Energy: 0.39109389658026944
Energy: 0.5719463214606382
Energy: 0.7095031229062128
Energy: 0.5719463214694316
Energy: 0.5994769063722705
Energy: 0.507811125651484
Energy: 0.39229726008846005
Energy: 0.5078111256866293
Energy: 0.3982254871937522
Energy: 0.5915268889451244
Energy: 0.7059816354025724
Energy: 0.5915268876355011
Energy: 0.7431442410734959
Energy: 0.5529267124498438
Energy: 0.3976924401633863
Energy: 0.5529267124416785
Energy: 0.3880153523043526
Energy: 0.5724134713749942
Energy: 0.7538835663376033
Energy: 0.5724134713749942
Energy: 0.4422629260549836
Energy: 0.5712138974393806
Energy: 0.5597816758127925
Energy: 0.5712138974444054
Energy: 0.39358555152190916
Energy: 0.5902181377790064
Energy: 0.7573590259486722
Energy: 0.5902181377783783
Energy: 0.6774714618053381
Energy: 0.6199166816189836
Energy: 0.4015130446909109
Energy: 0.6199166811142173
Energy: 0.388279715776815
Energy: 0.5762934067152689
Energy: 0.6943292100702488
Energy: 0.5762934067152689
Energy: 0.6793280075054549
Energy: 0.5900462193242095
Energy: 0.3840457091609682
Energy: 0.5900462193248089
Energy: 0.39516101184192426
Energy: 0.5891778212552723
Energy: 0.6448467518892441
Energy: 0.5891778212257515
Energy: 0.7232731858757644
Energy: 0.6272532944124809
Energy: 0.38754791466510813
Energy: 0.6272532946554711
Energy: 0.39273302128207593
Energy: 0.5037787798159253
Energy: 0.5948088410786283
Energy: 0.503778783152808
Energy: 0.5166127427440679
Energy: 0.591477528740646
Energy: 0.39349279600003084
Energy: 0.5914775287425302
Energy: 0.39822306274595043
Energy: 0.5939932401834757
Energy: 0.6009446224056598
Energy: 0.5939932401903848
Energy: 0.7329066519392866
Energy: 0.6228189622273179
Energy: 0.3935810262574422
Energy: 0.6228189622273179
Energy: 0.5600821847774516
Energy: 0.5699679320729661
Energy: 0.4482900537553566
Energy: 0.5699679321401447
Energy: 0.5741879022615152
Energy: 0.5974013995540441
Energy: 0.39137822262220595
Energy: 0.5974013995596971
Energy: 0.40092541576665125
Energy: 0.6213798898940494
Energy: 0.5761502891504396
Energy: 0.6213798898940494
Energy: 0.6131854363592576
Energy: 0.6403710729061234
Energy: 0.39624571090314803
Energy: 0.6403710729149168
Energy: 0.3947101185976298
Energy: 0.591061036274829
Energy: 0.6651590892506191
Energy: 0.5910610362742008
Energy: 0.4424412681069624
Energy: 0.5860048958739629
Energy: 0.40327211967636745
Energy: 0.5860048958739629
Energy: 0.3893248409528536
Energy: 0.6199845300365734
Energy: 0.5104934202951682
Energy: 0.6199845300447101
Energy: 0.44921362780260876
Energy: 0.5996484876209414
Energy: 0.393141730520866
Energy: 0.5996484876184289
Energy: 0.398236950180088
Energy: 0.5869205538748504
Energy: 0.5247056548491958
Energy: 0.5869205538798753
Energy: 0.45654895060218065
Energy: 0.5973294967570387
Energy: 0.3955530363053233
Energy: 0.5973294967570387

minimum gb energy = 0.3840457091609682 eV
minimum distance =  2.54775697396851 Angstroms
sigma value = 15


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

Energy: 0.500313788365206
Energy: 0.5729596221996329
Energy: 0.7040991167762598
Energy: 0.5729596222012293
Energy: 0.7615771665565931
Energy: 0.5438616917152216
Energy: 0.36374724751086873
Energy: 0.5438616917168178
Energy: 0.37719110318734156
Energy: 0.5233603362849502
Energy: 0.7143119368315419
Energy: 0.5233603363285332
Energy: 0.7225640842601191
Energy: 0.5485682560995916
Energy: 0.36694345331457795
Energy: 0.5485682560979952
Energy: 0.36684154715243417
Energy: 0.6201675268191459
Energy: 0.7619179415323428
Energy: 0.6201675268186138
Energy: 0.6725731096822728
Energy: 0.551480318232443
Energy: 0.36829263688832314
Energy: 0.551480318232975
Energy: 0.36997944939084215
Energy: 0.5356106374210683
Energy: 0.7167402614974688
Energy: 0.5356106374949805
Energy: 0.43222011659053844
Energy: 0.5321642546358679
Energy: 0.37164706439093315
Energy: 0.5321642546353359
Energy: 0.36731285411301606
Energy: 0.578263825401935
Energy: 0.6836838757138494
Energy: 0.5782638252338909
Energy: 0.7356843366125517
Energy: 0.5426571461007983
Energy: 0.36089067311240564
Energy: 0.5426571372459256
Energy: 0.3581989803412896
Energy: 0.541743582648127
Energy: 0.7139611912083152
Energy: 0.5417435826518516
Energy: 0.7342653098785785
Energy: 0.5240046041862794
Energy: 0.37529836752866547
Energy: 0.5240046041868114
Energy: 0.3721998173411457
Energy: 0.5847098317688886
Energy: 0.767475518934832
Energy: 0.5847098317683564
Energy: 0.5465631124954609
Energy: 0.575552676927087
Energy: 0.5049212237722029
Energy: 0.575552676926555
Energy: 0.3682517174208609
Energy: 0.5436156165549916
Energy: 0.7743097022818388
Energy: 0.5436156165555236
Energy: 0.7102961667045777
Energy: 0.5302181929977131
Energy: 0.36718629058308816
Energy: 0.5302181929998415
Energy: 0.36780346428813776
Energy: 0.5851886896053213
Energy: 0.7166512667416333
Energy: 0.5851886896053213
Energy: 0.6441876148076213
Energy: 0.5672219013499369
Energy: 0.36885324916171686
Energy: 0.5672219014440688
Energy: 0.3611033107930282
Energy: 0.5486205560346572
Energy: 0.7087039535138682
Energy: 0.5486205559995391
Energy: 0.48734323303824545
Energy: 0.5376769995251424
Energy: 0.37804000650002906
Energy: 0.5376769995214179
Energy: 0.3661713667034875
Energy: 0.5552696332030806
Energy: 0.537783298843719
Energy: 0.5552696330403092
Energy: 0.6901911456092289
Energy: 0.5815930763451231
Energy: 0.3693676940675079
Energy: 0.5815930763031363
Energy: 0.3605867126005632
Energy: 0.5430381555151337
Energy: 0.5615840042053569
Energy: 0.5430381555151337
Energy: 0.7160408731501265
Energy: 0.5480526025586684
Energy: 0.3667421103425868
Energy: 0.5480526025586684
Energy: 0.37647740555480996
Energy: 0.5476025776372944
Energy: 0.619365552955055
Energy: 0.5476025677102088
Energy: 0.7131197732835953
Energy: 0.572728283827292
Energy: 0.378074934876233
Energy: 0.5727282838326131
Energy: 0.5084737943291949
Energy: 0.5722465496182888
Energy: 0.4278426692988493
Energy: 0.5722465496150962
Energy: 0.7539761637151196
Energy: 0.5356843706626099
Energy: 0.3668758745901915
Energy: 0.5356843706631419
Energy: 0.37125270933619725
Energy: 0.573381230712978
Energy: 0.6234945534547994
Energy: 0.573381230791147
Energy: 0.6738071974986813
Energy: 0.5749828390485769
Energy: 0.3812384960864258
Energy: 0.5749828390501733
Energy: 0.36453779894546195
Energy: 0.5688155464669483
Energy: 0.6435114529657507
Energy: 0.5688155464648199
Energy: 0.6702066584555382
Energy: 0.542416468711672
Energy: 0.362519867597676
Energy: 0.5424164687217818
Energy: 0.37069532007690725
Energy: 0.5744827478587253
Energy: 0.48946101618973703
Energy: 0.57448274791029
Energy: 0.4209966194125865
Energy: 0.5487900662150261
Energy: 0.3803665653345207
Energy: 0.5487900662070447
Energy: 0.36722953106169476
Energy: 0.5776419772512161
Energy: 0.5000781312360736
Energy: 0.5776419772512161
Energy: 0.45538366807887576
Energy: 0.5449551649866019
Energy: 0.3740645990567237
Energy: 0.54495516498607
Energy: 0.37996637325169347
Energy: 0.5835294014823136
Energy: 0.610789826109356
Energy: 0.5835294014817816

minimum gb energy = 0.3581989803412896 eV
minimum distance =  2.4968427914549 Angstroms
sigma value = 85


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

Energy: 0.4966989199154546
Energy: 0.5311089686636984
Energy: 0.6937400278095827
Energy: 0.5311089686604682
Energy: 0.7712300718323433
Energy: 0.49418300323856934
Energy: 0.3224019378886407
Energy: 0.49418300324041525
Energy: 0.47777492861567716
Energy: 0.4867541324676901
Energy: 0.6865629049272887
Energy: 0.48675413233576864
Energy: 0.7333157163270059
Energy: 0.48852977976561207
Energy: 0.32014921285685793
Energy: 0.4885297958734763
Energy: 0.3621964719584217
Energy: 0.4777740179634274
Energy: 0.682352384121782
Energy: 0.4777740179661963
Energy: 0.72147289880666
Energy: 0.49018828996297403
Energy: 0.3238092624430124
Energy: 0.49018829006861186
Energy: 0.3545371619964846
Energy: 0.4876813382915958
Energy: 0.7064683894046797
Energy: 0.48768133825331367
Energy: 0.6897241257520609
Energy: 0.5062675144614104
Energy: 0.32899105593029215
Energy: 0.5062675144591029
Energy: 0.3206998995208416
Energy: 0.47034355381774917
Energy: 0.6973728589760727
Energy: 0.4703435567330477
Energy: 0.6865840607488406
Energy: 0.4728519908216553
Energy: 0.3498521037886205
Energy: 0.4728519988663682
Energy: 0.3210342436121996
Energy: 0.4952727376538766
Energy: 0.7164833331448138
Energy: 0.49527273767279745
Energy: 0.707713945683554
Energy: 0.5188096032616776
Energy: 0.3572695310215371
Energy: 0.5188096032510843
Energy: 0.3228756880179118
Energy: 0.4649648482504544
Energy: 0.723925202186815
Energy: 0.464964848233841
Energy: 0.6811473529476313
Energy: 0.4892192871296379
Energy: 0.4789549734601778
Energy: 0.48921928713286833
Energy: 0.3207432606101999
Energy: 0.4965040335202009
Energy: 0.7774939171995098
Energy: 0.4965040335202009
Energy: 0.6530912441984161
Energy: 0.5187851666300436
Energy: 0.45521200632112685
Energy: 0.5187851666074308
Energy: 0.3269915263743105
Energy: 0.4725204963727784
Energy: 0.7513902969622099
Energy: 0.4725204963727784
Energy: 0.6658630168732809
Energy: 0.49153534685886263
Energy: 0.4798799619826348
Energy: 0.49153534686393896
Energy: 0.33015443674015854
Energy: 0.4897544730804384
Energy: 0.7467763649335469
Energy: 0.4897544732741777
Energy: 0.6375008470228379
Energy: 0.5190492002979251
Energy: 0.35705205720635885
Energy: 0.519049200298848
Energy: 0.31995920422411805
Energy: 0.45814458585082246
Energy: 0.7130621099757459
Energy: 0.4581445858273077
Energy: 0.4898777461898273
Energy: 0.49223461860536516
Energy: 0.3472722283679724
Energy: 0.49223461853847095
Energy: 0.3237708037926761
Energy: 0.4921721674283189
Energy: 0.6923260554510229
Energy: 0.49217216741447434
Energy: 0.48504453647995577
Energy: 0.5308783538252254
Energy: 0.3265403779473237
Energy: 0.5308783538233794
Energy: 0.3544776082862493
Energy: 0.45615359286869617
Energy: 0.5419284248495478
Energy: 0.45615359330645555
Energy: 0.7027882825413999
Energy: 0.49119619396081454
Energy: 0.3263502735690124
Energy: 0.49119619472285025
Energy: 0.3646584333869859
Energy: 0.5091561748342808
Energy: 0.6978821820125946
Energy: 0.5091561748352038
Energy: 0.7052777962486332
Energy: 0.5214581836502151
Energy: 0.32399343298302485
Energy: 0.5214581836456004
Energy: 0.4834522857051894
Energy: 0.4881409525484691
Energy: 0.6934014566598999
Energy: 0.48814095249680384
Energy: 0.7613384814713076
Energy: 0.4872856547737347
Energy: 0.3268030197111799
Energy: 0.487285654764505
Energy: 0.4924707316096982
Energy: 0.5333725753850606
Energy: 0.647868527197602
Energy: 0.5333725753832147
Energy: 0.7335065470376528
Energy: 0.5146436615035462
Energy: 0.32156541559915836
Energy: 0.5146436616382367
Energy: 0.47773335058808947
Energy: 0.4938185460001041
Energy: 0.5080183628248829
Energy: 0.49381854600748787
Energy: 0.7385259200298586
Energy: 0.4947184750270747
Energy: 0.32499542013092103
Energy: 0.4947184750270747
Energy: 0.35891458061465936
Energy: 0.5153279670126888
Energy: 0.5644256542441513
Energy: 0.5153279669637926
Energy: 0.633469057324831
Energy: 0.5168550485621547
Energy: 0.33431372797831116
Energy: 0.5168550485640007
Energy: 0.3519967580552544
Energy: 0.49171415050523093
Energy: 0.481651060740393
Energy: 0.49171415044110567
Energy: 0.6660271137800464
Energy: 0.48938834843446133
Energy: 0.33021618869039776
Energy: 0.48938834865633024
Energy: 0.32860348350345353
Energy: 0.5177080675809531
Energy: 0.4877054782078673
Energy: 0.5177080675818763
Energy: 0.4210254041445544
Energy: 0.5023763871093155
Energy: 0.3566309119625894
Energy: 0.5023763880932203
Energy: 0.32954179421424773
Energy: 0.49722126840045056
Energy: 0.5905029235139637
Energy: 0.49722126843919423
Energy: 0.4258066078240567
Energy: 0.5024562382375969
Energy: 0.36505390418844524
Energy: 0.5024562381831837
Energy: 0.32775751452671154
Energy: 0.514580104508437
Energy: 0.693418874255174
Energy: 0.5145801045056682

minimum gb energy = 0.31995920422411805 eV
minimum distance =  2.48391733386328 Angstroms
sigma value = 113


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

Energy: 0.011784406669739636
Energy: 0.012758308899111266
Energy: 0.45825046285387117
Energy: 0.012758308899446322
Energy: 0.4174087317395311
Energy: 0.15778750814480957
Energy: 0.15826191700712702
Energy: 0.15778750814480957
Energy: 0.011784406669739636
Energy: 0.012758308899111266
Energy: 0.4582504629578961
Energy: 0.012758308899446322
Energy: 0.41740873173988585
Energy: 0.1577875081451446
Energy: 0.15826242402664262
Energy: 0.1577875081451446
Energy: 0.011784406669739636
Energy: 0.012758308899446322
Energy: 0.4582504628448641
Energy: 0.012758308899111266
Energy: 0.41740873173988585
Energy: 0.15778750814480957
Energy: 0.15826253074754074
Energy: 0.1577875081451446

minimum gb energy = 0.011784406669739636 eV
minimum distance =  2.83688713944608 Angstroms
sigma value = 1