Model name: model_name=MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642807338423
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.338630237806639e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.012680026588016254
Energy: 0.32185050645384505
Energy: 0.32160013009685673
Energy: 0.5875986896474237
Energy: 0.6090550789734351
Energy: 0.25484144918802504
Energy: 0.013233828131688703
Energy: 0.06633844460758105
Energy: 0.6062925912313689
Energy: 0.29819574585034225
Energy: 0.3217917672971573
Energy: 0.325580249647345
Energy: 0.013272800065550395
Energy: 0.0668865754776462
Energy: 0.013911869228614464
Energy: 0.44992744566315745
Energy: 0.5921829684877795
Energy: 0.3215627204919957
Energy: 0.32167698524329175
Energy: 0.06595010621598209
Energy: 0.06786151868052735
Energy: 0.014535422835532283
Energy: 0.32242423582078844
Energy: 0.5008501211316206
Energy: 0.5875204296649775
Energy: 0.6097401401937428
Energy: 0.06589050276447253
Energy: 0.013117047674602967
Energy: 0.3295230658667645
Energy: 0.6058835797345917
Energy: 0.2960794087032289
Energy: 0.32147384132478324
Energy: 0.3289190069160324
Energy: 0.013317837452576559
Energy: 0.06592843857408161
Energy: 0.012881477294727882
Energy: 0.32159703423608127
Energy: 0.5928095784720193
Energy: 0.5023852976288794
Energy: 0.4334093441637586
Energy: 0.06594232835182479
Energy: 0.06735099984223397

minimum gb energy = 0.012680026588016254 eV
minimum distance =  2.83404909724138 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.6982992560587
Energy: 0.7199680339745037
Energy: 0.7202261793504787
Energy: 0.7144462827653469
Energy: 0.7469349659976272
Energy: 0.7469971144683268
Energy: 0.7218006221855825
Energy: 0.6423193452909264
Energy: 0.690474045919112
Energy: 0.6861453488272052
Energy: 0.68674035346026
Energy: 0.6997875267430138
Energy: 0.6654972839153417
Energy: 0.6789714936910315
Energy: 0.7298252775719737
Energy: 0.6954893559099508
Energy: 0.7288112947534613
Energy: 0.6727970095994725
Energy: 0.693239352331272
Energy: 0.7295747567021311
Energy: 0.683340936032351
Energy: 0.6287674480230004
Energy: 0.7130966999224917
Energy: 0.6675285186301243
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Energy: 0.7286976807758826
Energy: 0.6728785827952305
Energy: 0.7034524003580374
Energy: 0.7198225722941787
Energy: 0.792992187761492
Energy: 0.6957833398804576
Energy: 0.709944288439067
Energy: 0.7213110779283711
Energy: 0.7361726410305366
Energy: 0.7397183802252195
Energy: 0.6573110217439947
Energy: 0.7546606645468227
Energy: 0.6655310417838365
Energy: 0.6888653559854181
Energy: 0.7396959671230234
Energy: 0.6490499308898979
Energy: 0.7388508388945726
Energy: 0.75233388153897
Energy: 0.6881208660341762
Energy: 0.705530808759685
Energy: 0.6804403120094147
Energy: 0.7091818560038294
Energy: 0.6911630856961151
Energy: 0.7118405864269778
Energy: 0.6661641544130826
Energy: 0.6784549239178498
Energy: 0.711499997206312
Energy: 0.6976093355052991
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Energy: 0.6661120384465942
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Energy: 0.6898552743636394
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Energy: 0.7423142482041484
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Energy: 0.6669261647891436
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Energy: 0.6527183705240819
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Energy: 0.7304385701816889
Energy: 0.6959993460990282
Energy: 0.7155410362819504
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Energy: 0.6865900074757771
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Energy: 0.6926801001189552
Energy: 0.6772026242136714
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Energy: 0.7277866508554239
Energy: 0.6727591681602447
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Energy: 0.658929389047612
Energy: 0.7429324243186661
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Energy: 0.6573438886630456
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Energy: 0.6921738565380772
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Energy: 0.6896899973963432
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Energy: 0.6578591082648394
Energy: 0.6776055363776491
Energy: 0.7039055983882072
Energy: 0.6895506622158852
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Energy: 0.6390767204103266
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Energy: 0.6842696811029502
Energy: 0.6684803781446855
Energy: 0.7177701312589678
Energy: 0.7331678302651545
Energy: 0.7432296260974243
Energy: 0.664680998382413
Energy: 0.6989060230324338
Energy: 0.6432363657875845
Energy: 0.7169995306557589
Energy: 0.7081981288319111
Energy: 0.6378257602029215
Energy: 0.7197908247333564
Energy: 0.7317721790474764
Energy: 0.758833410711393
Energy: 0.7017562443817157
Energy: 0.7025731695057641
Energy: 0.6921207333388198
Energy: 0.713904395534234
Energy: 0.6909851096031456
Energy: 0.6304772218341508
Energy: 0.7302494429242552
Energy: 0.6593754719226866
Energy: 0.7195462212353996
Energy: 0.7541843127103517
Energy: 0.6518012817346613
Energy: 0.7539280025587135
Energy: 0.701817838681315
Energy: 0.6723285227729632
Energy: 0.7077065249407993
Energy: 0.6260468657034638
Energy: 0.6831809303393791
Energy: 0.7309594797400806
Energy: 0.6424644543183284
Energy: 0.6352985580991293
Energy: 0.6907286362063015
Energy: 0.6471638199469016
Energy: 0.7751732941100357
Energy: 0.70078433070372
Energy: 0.6788658291419403
Energy: 0.681963350479073
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Energy: 0.7549118129289113
Energy: 0.7270236559058546
Energy: 0.7084879409461051
Energy: 0.7354698806587617
Energy: 0.6773738886366465
Energy: 0.7595403260173826

minimum gb energy = 0.6197220022545403 eV
minimum distance =  2.53469564179776 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.6803772238217841
Energy: 0.785061184446128
Energy: 0.7317668441092641
Energy: 0.798290362310619
Energy: 0.7860729359392954
Energy: 0.7361816330903388
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Energy: 0.7113201151796326
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Energy: 0.7619656240347463
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Energy: 0.7017466798507298
Energy: 0.7613853074189959
Energy: 0.7451527818033035
Energy: 0.7574592244931855
Energy: 0.6357807655196573
Energy: 0.6953429694901595
Energy: 0.691755320084602
Energy: 0.6623386352875326
Energy: 0.6745299234258209
Energy: 0.6812154154392357
Energy: 0.7528981300136498
Energy: 0.660015941058499
Energy: 0.6946588291425249
Energy: 0.652211472787192
Energy: 0.6471706461474735
Energy: 0.7319569455320523
Energy: 0.6971371136563115
Energy: 0.6504254031598442
Energy: 0.6779931178773393
Energy: 0.6796202668193854
Energy: 0.6537305708580962
Energy: 0.7096862746450247
Energy: 0.709109629434947
Energy: 0.6502904260282222
Energy: 0.6773913383969254
Energy: 0.6928726509060293
Energy: 0.7535437570877213
Energy: 0.8204625648250419
Energy: 0.6981159540122409
Energy: 0.6930771312515239
Energy: 0.6533269135556476
Energy: 0.6345102317163114
Energy: 0.63754984087531
Energy: 0.6711164602736059
Energy: 0.6640571115725037
Energy: 0.646652975411686
Energy: 0.7072822154851907
Energy: 0.635879333265917
Energy: 0.638440980446563
Energy: 0.6511456657167294
Energy: 0.7679920584245263
Energy: 0.685601038525084
Energy: 0.7333741211547727
Energy: 0.7131271725292341
Energy: 0.6397017704837479
Energy: 0.6406251313591385
Energy: 0.6661882283604916
Energy: 0.6521234369508757
Energy: 0.6989986837208901
Energy: 0.7088477593550215
Energy: 0.6582281647384302
Energy: 0.6472873650502631
Energy: 0.70618655567275
Energy: 0.685278398138007
Energy: 0.6928751187544017
Energy: 0.6758377046668961
Energy: 0.6271544756900955
Energy: 0.724997112332004
Energy: 0.6573006095720048
Energy: 0.6291367854114799
Energy: 0.6627405250640447
Energy: 0.651231523492958
Energy: 0.6644050234345389
Energy: 0.6708888431632265
Energy: 0.6471478921948305
Energy: 0.7230035052295447
Energy: 0.7333779456833351
Energy: 0.6560695275505302
Energy: 0.6785340723045554
Energy: 0.6781564738567113
Energy: 0.7034258110618397
Energy: 0.7606576800906129
Energy: 0.7290466350470688
Energy: 0.6914536772359503
Energy: 0.6414481192791197
Energy: 0.6477169981585806
Energy: 0.6648848868211497
Energy: 0.6484776851734694
Energy: 0.643806988090205
Energy: 0.7000322175737125
Energy: 0.7490856803598884
Energy: 0.6939410533162383
Energy: 0.6887691862642595
Energy: 0.6586518409744477
Energy: 0.6458231307244547
Energy: 0.7338272512174903
Energy: 0.7112269131526906
Energy: 0.6552101638524015
Energy: 0.6655703481120822
Energy: 0.6503343811466227
Energy: 0.6692790317371057
Energy: 0.7193798471566546
Energy: 0.7629496928901424
Energy: 0.645820090349253
Energy: 0.6831096635150288
Energy: 0.6741181097375838
Energy: 0.7518300347737175
Energy: 0.6726402082798507
Energy: 0.6910196640359827
Energy: 0.6917232626545626
Energy: 0.647188274653535
Energy: 0.651168714601973
Energy: 0.635079171613251
Energy: 0.6701216789904935
Energy: 0.6521642716895286
Energy: 0.6434516186427474
Energy: 0.6345388159576356
Energy: 0.6565009245375757

minimum gb energy = 0.6251317480098739 eV
minimum distance =  2.50538591251329 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.7051185867648578
Energy: 0.713440895954786
Energy: 0.7021988835467939
Energy: 0.672661967670988
Energy: 0.7083214390780044
Energy: 0.7127820640410861
Energy: 0.674545305924816
Energy: 0.6458089523897681
Energy: 0.6730985004990543
Energy: 0.6527243411914893
Energy: 0.6561870064564757
Energy: 0.6471506939725725
Energy: 0.6348531987368335
Energy: 0.6947940351880907
Energy: 0.6965793358688773
Energy: 0.6844095346008198
Energy: 0.6493301601049767
Energy: 0.6680166425589382
Energy: 0.6697187340027057
Energy: 0.6599833238730416
Energy: 0.6847139329416451
Energy: 0.654810413993413
Energy: 0.6848651466004027
Energy: 0.6882339886039862
Energy: 0.7239432437050984
Energy: 0.7237935416279792
Energy: 0.6899102352191051
Energy: 0.700112126637742
Energy: 0.7228315582490219
Energy: 0.7121271226757899
Energy: 0.7231468565095321
Energy: 0.6908966115842184
Energy: 0.6591727889974769
Energy: 0.7019720049562641
Energy: 0.693669988145886
Energy: 0.6667316888221577
Energy: 0.6717105727924205
Energy: 0.6389072081870149
Energy: 0.681528986824927
Energy: 0.6953823908217898
Energy: 0.6427197467982414
Energy: 0.6974729676461856
Energy: 0.7266446406337991
Energy: 0.689384461793704
Energy: 0.6970799798003401
Energy: 0.6484060284304407
Energy: 0.6777254174363039
Energy: 0.7067726439479668
Energy: 0.7099943833223542
Energy: 0.6547829332359925
Energy: 0.659989385016678
Energy: 0.6862890586850791
Energy: 0.6860456910290853
Energy: 0.6651318592968501
Energy: 0.6491851938698072
Energy: 0.7079997325706351
Energy: 0.6989167663454889
Energy: 0.6766060821642063
Energy: 0.6920934621378048
Energy: 0.6494260968449972
Energy: 0.66417940858064
Energy: 0.6856084327436128
Energy: 0.6881366390260135
Energy: 0.6957854372395653
Energy: 0.7142528807419599
Energy: 0.6892759745727884
Energy: 0.7326075150453781
Energy: 0.7083512989425228
Energy: 0.6779756996573862
Energy: 0.6828498674712263
Energy: 0.7108561578138475
Energy: 0.7310251583292611
Energy: 0.7000502458127948
Energy: 0.7130766406207283
Energy: 0.6836523388741481
Energy: 0.7109322832441531
Energy: 0.673029158897786
Energy: 0.6435448622764313
Energy: 0.6898489709658789
Energy: 0.6462356595957873
Energy: 0.6800772311794191
Energy: 0.6677626197306006
Energy: 0.6366813687712468
Energy: 0.6751504967969889
Energy: 0.7049790735165221
Energy: 0.6849553107570969
Energy: 0.7071499508581861
Energy: 0.6490760142805412
Energy: 0.6513051819022786
Energy: 0.7042158334795158
Energy: 0.6890082123001313
Energy: 0.6408570417324833
Energy: 0.7093878594456625
Energy: 0.6398905967717629
Energy: 0.66596556450959
Energy: 0.671451695339099
Energy: 0.6441403169672115
Energy: 0.69038981631786
Energy: 0.6950496698682044
Energy: 0.6729731914222407
Energy: 0.6849900833328485
Energy: 0.6717471964857875
Energy: 0.6674154738597122
Energy: 0.6703201954399604
Energy: 0.6906684015346914
Energy: 0.6442122737077991
Energy: 0.6963911198861256
Energy: 0.6642562004625746
Energy: 0.7007928119653098
Energy: 0.7163111655017387
Energy: 0.6876876251877388
Energy: 0.6900168905742021
Energy: 0.7460439062800531
Energy: 0.7209735403653836
Energy: 0.6969899056645261
Energy: 0.7168925437967295
Energy: 0.7089719959122218
Energy: 0.7126051730335196
Energy: 0.7031537236137115
Energy: 0.6464709378988682
Energy: 0.7039910546644175
Energy: 0.6654738211093554
Energy: 0.6837484647511113
Energy: 0.6640940443375042
Energy: 0.6520166609932666
Energy: 0.7018095253402683
Energy: 0.7048465347465266
Energy: 0.7073696644413743
Energy: 0.7249404932738619
Energy: 0.6568941552530667
Energy: 0.6736639882401968
Energy: 0.7027020630591306
Energy: 0.6899682126518103
Energy: 0.7391744461954238
Energy: 0.7578324592612286
Energy: 0.6867619994628896
Energy: 0.6495045765402138
Energy: 0.7004862415772756
Energy: 0.661302242176038
Energy: 0.6881348880191333
Energy: 0.6671076697093457
Energy: 0.6672894303244379
Energy: 0.6969550964914041
Energy: 0.6764606790809988
Energy: 0.6737860834830608
Energy: 0.6837044562045557
Energy: 0.6960803440205928
Energy: 0.6601927482458285
Energy: 0.6984161814287123
Energy: 0.6441521232069215
Energy: 0.6595412314187674
Energy: 0.6851097816625346
Energy: 0.6539905290213053
Energy: 0.6873422017182429
Energy: 0.7000867839848043
Energy: 0.7463506950755259
Energy: 0.7074184369205333
Energy: 0.7264273601945768
Energy: 0.7142266190540494
Energy: 0.7115342925293492
Energy: 0.7423176930431885
Energy: 0.6746292806603504
Energy: 0.6999561489118421
Energy: 0.6349706189437706
Energy: 0.7245182310357996
Energy: 0.697421021654356
Energy: 0.6805748703298641
Energy: 0.6812455278268985
Energy: 0.6983605161311828
Energy: 0.6798949595723814
Energy: 0.7026456588065582
Energy: 0.6995489598469616
Energy: 0.6809452285236909
Energy: 0.7024694073448459
Energy: 0.6788286256675612
Energy: 0.665827243787292
Energy: 0.7156640578788747
Energy: 0.6988815964556604
Energy: 0.6405216194902764
Energy: 0.659310082633921
Energy: 0.6532809160068043
Energy: 0.6517743133905134
Energy: 0.6974535786501577
Energy: 0.6742781343271894
Energy: 0.6786823563541464
Energy: 0.6503161343443814
Energy: 0.7030473325468314
Energy: 0.6832632902679218
Energy: 0.6900559891400998
Energy: 0.6489967538667506
Energy: 0.6901914197296979
Energy: 0.6622689179598167
Energy: 0.685134959782326
Energy: 0.6765760199159893
Energy: 0.6652381570677435
Energy: 0.666671220738764
Energy: 0.7164994433683667
Energy: 0.7406998943929426
Energy: 0.7238869067854408
Energy: 0.712814723916804
Energy: 0.6912334711113624
Energy: 0.7166237065633776
Energy: 0.7049921837983177
Energy: 0.6718878841833148
Energy: 0.7382595675260296
Energy: 0.7011208409721346
Energy: 0.7217859278725837
Energy: 0.711593192695548
Energy: 0.7084405897322824
Energy: 0.6969164026994832
Energy: 0.7083135092961126
Energy: 0.6721340457407124
Energy: 0.6480312617278784
Energy: 0.6895448933786202
Energy: 0.6685782298749122
Energy: 0.6571202711638158
Energy: 0.6714305756047293
Energy: 0.67993773001599
Energy: 0.6735125678327858
Energy: 0.6375498269283446
Energy: 0.7074108528905371
Energy: 0.6915128877981066
Energy: 0.6701718427462984
Energy: 0.7011087612308493
Energy: 0.6736254728497757
Energy: 0.6878499415018758
Energy: 0.6772453207998758
Energy: 0.6439486506961556
Energy: 0.6397511941973048
Energy: 0.701462127203153
Energy: 0.6765616809819768
Energy: 0.6401472896156049
Energy: 0.6857358301944174
Energy: 0.6496445803228277
Energy: 0.6989358617540683
Energy: 0.6914094030599376
Energy: 0.6498046593058712
Energy: 0.6859257277754933
Energy: 0.7008553982023178
Energy: 0.7269094485940156
Energy: 0.6414354117175574
Energy: 0.7105576820959334
Energy: 0.7066063095722495
Energy: 0.7123594027462026
Energy: 0.7165680682005338
Energy: 0.7072967674122106
Energy: 0.6812433966586596
Energy: 0.6980710882424721
Energy: 0.7078347782448596
Energy: 0.713204273984122
Energy: 0.7087608768279329
Energy: 0.6975100291175995

minimum gb energy = 0.6348531987368335 eV
minimum distance =  2.52048210302492 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.6262502954268123
Energy: 0.6983867636693191
Energy: 0.7539252541852569
Energy: 0.7625464862952486
Energy: 0.6936443002184365
Energy: 0.6867613748244572
Energy: 0.6235367130558552
Energy: 0.6510760781968953
Energy: 0.671603897263159
Energy: 0.6916208906079908
Energy: 0.6406094463749391
Energy: 0.6399874371212533
Energy: 0.6653990468288353
Energy: 0.6761516975334763
Energy: 0.6689949973648159
Energy: 0.6332153761734415
Energy: 0.6829135821087177
Energy: 0.6396374810873803
Energy: 0.6409894120080367
Energy: 0.6599325631124022
Energy: 0.6767518823016933
Energy: 0.6473891662292545
Energy: 0.6479064563010093
Energy: 0.6782553731229017
Energy: 0.6827518058182835
Energy: 0.6389442251279089
Energy: 0.6785172984293839
Energy: 0.6742637723290617
Energy: 0.6591841728689345
Energy: 0.6322772750456257
Energy: 0.6704416220850651
Energy: 0.667585697095262
Energy: 0.6456958283340885
Energy: 0.6811640584496338
Energy: 0.6541075983098144
Energy: 0.621674617007608
Energy: 0.6340235054488209
Energy: 0.6896631571859565
Energy: 0.7547094679232388
Energy: 0.6751834963949868
Energy: 0.6563336779822212
Energy: 0.6747191788409383
Energy: 0.7654228144246391
Energy: 0.6319980489973019
Energy: 0.7337664772724422
Energy: 0.7088487204552801
Energy: 0.6217462611766696
Energy: 0.6244943344806505
Energy: 0.6747406730748774
Energy: 0.6231314166541764
Energy: 0.6734609017731962
Energy: 0.7447750357868363
Energy: 0.7276027384640632
Energy: 0.6769398152066254
Energy: 0.6793880746123051
Energy: 0.6748813208317921
Energy: 0.6234988552132456
Energy: 0.6731921288237648
Energy: 0.7368827590013884
Energy: 0.6551588434273293
Energy: 0.7309102596813659
Energy: 0.6897099002128053
Energy: 0.6756391263739313
Energy: 0.7653754482907164
Energy: 0.6332157826638122
Energy: 0.6775314817227929
Energy: 0.6389951296113107
Energy: 0.6440336094882736
Energy: 0.6524513552245117
Energy: 0.6736243135617462
Energy: 0.6462485910372234
Energy: 0.6329922949249088
Energy: 0.6765872353047295
Energy: 0.6814215789355986
Energy: 0.6394411512223503
Energy: 0.6563801293143411
Energy: 0.6751703738185887
Energy: 0.6592341748543885
Energy: 0.6334182246280218
Energy: 0.6628702291449352
Energy: 0.6323795731976797
Energy: 0.6391313072105215
Energy: 0.6922587091892268
Energy: 0.6745392534562059
Energy: 0.6227405484770576
Energy: 0.632421285508686
Energy: 0.6837112071893141
Energy: 0.6900912011520405
Energy: 0.6765444986237429
Energy: 0.6813618522455451
Energy: 0.6526190292053176
Energy: 0.7641807122816466
Energy: 0.6569769087361254
Energy: 0.7374508880191718
Energy: 0.7082771218491666
Energy: 0.6225675761097359
Energy: 0.6220703864247055
Energy: 0.6752419966629887
Energy: 0.622140067708276
Energy: 0.6711860561650761
Energy: 0.7459259450356929
Energy: 0.7079374443588228
Energy: 0.6221628583043386
Energy: 0.6214472262455447
Energy: 0.6757911283532495
Energy: 0.6222597274659097
Energy: 0.6977182677880451
Energy: 0.7363179433200497
Energy: 0.6474272697005915
Energy: 0.66379980638259
Energy: 0.6789180370519478
Energy: 0.6232084171294828
Energy: 0.6507870220184502
Energy: 0.6716102824871552
Energy: 0.691559261492684
Energy: 0.6405872302499579
Energy: 0.6400235363889519
Energy: 0.6651063764396968
Energy: 0.6762079742951093
Energy: 0.6684825771943349
Energy: 0.6327894173398965
Energy: 0.6715242085175351
Energy: 0.6396376849630886
Energy: 0.6411404041538646
Energy: 0.659932421196992
Energy: 0.6768611600484362
Energy: 0.6471716763793302
Energy: 0.6320709583700049
Energy: 0.6783179281632596
Energy: 0.6800539524047879
Energy: 0.6389173873128794
Energy: 0.6785859810681015
Energy: 0.6770270885648088
Energy: 0.6593892902114847
Energy: 0.6322583813655159
Energy: 0.67093672655296
Energy: 0.6679161943389581
Energy: 0.7081407873547308
Energy: 0.6883900188986096
Energy: 0.6543151615203762
Energy: 0.6217118708848907
Energy: 0.6320169948624746
Energy: 0.689661185061295
Energy: 0.7547864451009826
Energy: 0.6958418168519552
Energy: 0.621693477223858
Energy: 0.6748427566647022
Energy: 0.76500763383837
Energy: 0.6320459813061368
Energy: 0.7335891831413719
Energy: 0.708899984330677
Energy: 0.6246023632821025
Energy: 0.6244221929167241
Energy: 0.6748889136967106
Energy: 0.6227082332380074
Energy: 0.674179101930728
Energy: 0.7449279976647406
Energy: 0.7273410159034678
Energy: 0.6930246316236113
Energy: 0.6796319082085656
Energy: 0.6750234487025162
Energy: 0.623811474839098
Energy: 0.6733809667282573
Energy: 0.736980312711997
Energy: 0.6550290592311818
Energy: 0.6396835030601846
Energy: 0.6897811155441504
Energy: 0.6751855212895685
Energy: 0.7657311734181871
Energy: 0.6345076840046233
Energy: 0.6771902641307613
Energy: 0.6389473561622864
Energy: 0.6438239435785306
Energy: 0.6523634515596455
Energy: 0.673894861446044
Energy: 0.647137659931234
Energy: 0.6331766246761136
Energy: 0.6765017016168008
Energy: 0.6810164054980111
Energy: 0.6397021508835479
Energy: 0.67712092619621
Energy: 0.6728191405331353
Energy: 0.6593381006622626
Energy: 0.6333703389452715
Energy: 0.6626509664040349
Energy: 0.6325871586037466
Energy: 0.639122826988829
Energy: 0.6924771621365672
Energy: 0.6745296203273067
Energy: 0.6229781608045479
Energy: 0.63212237461684
Energy: 0.6967759748549436
Energy: 0.6903098974139
Energy: 0.6763622289937633
Energy: 0.681205669238725
Energy: 0.6526999498333556
Energy: 0.7641301087725528
Energy: 0.6552224864945362
Energy: 0.7360772277772639
Energy: 0.7081069126044025
Energy: 0.6225832733635448
Energy: 0.6221935433067889
Energy: 0.6756285017984482
Energy: 0.6220755713005064
Energy: 0.6740828146939124
Energy: 0.7468920161761435
Energy: 0.7233371163496873
Energy: 0.622320321988828
Energy: 0.621487155059527
Energy: 0.6757642593528674

minimum gb energy = 0.6214472262455447 eV
minimum distance =  2.53582102832576 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.7831951407525735
Energy: 0.7322907082376465
Energy: 0.7581674241840892
Energy: 0.6982449706281803
Energy: 0.6584701368832607
Energy: 0.7449806955999706
Energy: 0.7030569115458046
Energy: 0.6679607489495606
Energy: 0.6883277157656825
Energy: 0.7654953714161938
Energy: 0.7444880409776293
Energy: 0.7507885903931997
Energy: 0.7486362481253429
Energy: 0.7277593946933743
Energy: 0.7452744835501681
Energy: 0.6426914170004207
Energy: 0.6553836745106887
Energy: 0.7631779662434527
Energy: 0.7531805776016839
Energy: 0.6494427011281902
Energy: 0.7153184870560425
Energy: 0.6491481122006384
Energy: 0.7083411955432789
Energy: 0.6898010373228561
Energy: 0.6440260986189331
Energy: 0.6283467177468938
Energy: 0.655700736665011
Energy: 0.7019230453867586
Energy: 0.6497243019111518
Energy: 0.6428029075959001
Energy: 0.6259444809582738
Energy: 0.6251679370108869
Energy: 0.6668010698218734
Energy: 0.6534860186664183
Energy: 0.6462816737105959
Energy: 0.6277956446627225
Energy: 0.6301767244769668
Energy: 0.6832063366899285
Energy: 0.67997933689736
Energy: 0.6344706224728884
Energy: 0.671825940631441
Energy: 0.6387763229489368
Energy: 0.7786963094906364
Energy: 0.6313996033473249
Energy: 0.6757626947483066
Energy: 0.6443864772522289
Energy: 0.644586828357197
Energy: 0.6285512456848541
Energy: 0.6337575675448163
Energy: 0.6813434645073306
Energy: 0.6239267027528432
Energy: 0.6559104186514491
Energy: 0.6955626134383186
Energy: 0.642648487896932
Energy: 0.6512307496316173
Energy: 0.6496840740490194
Energy: 0.6544881104319243
Energy: 0.6584886371240357
Energy: 0.7334994470142032
Energy: 0.7635141441037119
Energy: 0.8015518787697408
Energy: 0.7985878559511536
Energy: 0.7482680078265922
Energy: 0.7514046141064958
Energy: 0.7015239421937559
Energy: 0.6604619181466973
Energy: 0.7073722030507197
Energy: 0.6589528355020506
Energy: 0.7457303154356032
Energy: 0.7452896062162675
Energy: 0.6643463934713848
Energy: 0.6657866871167337
Energy: 0.6735416750340502
Energy: 0.6535436289723475
Energy: 0.6702235083302943
Energy: 0.6330725923617225
Energy: 0.6913751061030803
Energy: 0.6707428022683859
Energy: 0.6596610777540204
Energy: 0.7285656786494347
Energy: 0.8162860647430041
Energy: 0.7359622979931091
Energy: 0.7311923688051818
Energy: 0.7231995723880806
Energy: 0.7523761188207755
Energy: 0.6819133749277991
Energy: 0.7705975115238091
Energy: 0.7041546551566852
Energy: 0.662909323853157
Energy: 0.6551707643470415
Energy: 0.697080497764611
Energy: 0.6286887662192474
Energy: 0.6575278129390206
Energy: 0.7112112102248622
Energy: 0.6582608191018691
Energy: 0.6809201479196502
Energy: 0.7187486986432756
Energy: 0.7231658126108816
Energy: 0.7538429778438955
Energy: 0.6427865079280003
Energy: 0.6611822626132597
Energy: 0.7532973209958651
Energy: 0.7610118770708231
Energy: 0.7419713676279593
Energy: 0.736936087748182
Energy: 0.7138353487957332
Energy: 0.6862004726213002
Energy: 0.6926333450406389
Energy: 0.6939311154919828
Energy: 0.6593041229868893
Energy: 0.7131757813628042
Energy: 0.7911192639522627
Energy: 0.6494512631135719
Energy: 0.7059772854512137
Energy: 0.6810423295818665
Energy: 0.6542354305781092
Energy: 0.6375559364991104
Energy: 0.6527641060663284
Energy: 0.6394266412124312
Energy: 0.627825161241952
Energy: 0.6436830929532131
Energy: 0.6420764647350918
Energy: 0.6787403986815925
Energy: 0.6328091527685488
Energy: 0.6744061427648566
Energy: 0.6699217750008829
Energy: 0.6280798479549401
Energy: 0.6318876170573958
Energy: 0.6995217470482306
Energy: 0.6629231486636924
Energy: 0.6409868838673397
Energy: 0.6285832469450554
Energy: 0.6413782005058242
Energy: 0.7533300014995468
Energy: 0.6243238796579943
Energy: 0.697877847224394
Energy: 0.6502384193961911
Energy: 0.7006207786228509
Energy: 0.651553292421687
Energy: 0.6542422025965257
Energy: 0.6768673142936594
Energy: 0.6436021804862235
Energy: 0.763979914151688
Energy: 0.7467750497988789
Energy: 0.7564535700396933
Energy: 0.650739769455914
Energy: 0.6730813454395141
Energy: 0.6332286615702165
Energy: 0.7458720622675326
Energy: 0.6874847602996534
Energy: 0.6549017041646734
Energy: 0.640131292162209
Energy: 0.7129357225384969
Energy: 0.7022664006902839
Energy: 0.7199034774185111
Energy: 0.640796442451033
Energy: 0.7417872325629806
Energy: 0.7314231857326419
Energy: 0.6766673883438805
Energy: 0.7462003859493058
Energy: 0.7527606152135985
Energy: 0.7402515820240639
Energy: 0.64454603951833
Energy: 0.698194084250094
Energy: 0.8171496709989778
Energy: 0.7304836346489975
Energy: 0.730132664505711
Energy: 0.7522453040035578
Energy: 0.6279037311391247
Energy: 0.6761086660282012
Energy: 0.7398062188725033
Energy: 0.658747238347162
Energy: 0.6763274627865539
Energy: 0.6844676652497054
Energy: 0.7232987861270928

minimum gb energy = 0.6239267027528432 eV
minimum distance =  2.50270452471604 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.7564202263612545
Energy: 0.8325830957745707
Energy: 0.8009724394293004
Energy: 0.8144510001112243
Energy: 0.7895471240343025
Energy: 0.788703488675709
Energy: 0.8364659975325468
Energy: 0.8196146173336633
Energy: 0.790829797230439
Energy: 0.76497223900281
Energy: 0.8238034515964555
Energy: 0.8099727613502913
Energy: 0.7758078297996666
Energy: 0.7949086303359124
Energy: 0.8380722969569793
Energy: 0.7679431607476028
Energy: 0.7660882650470568
Energy: 0.7808521603265218
Energy: 0.8036269473796589
Energy: 0.7812459076664586
Energy: 0.7922445900558214
Energy: 0.7472092368592356
Energy: 0.7986686179572444
Energy: 0.7752776069108025
Energy: 0.8065683229982091
Energy: 0.7954514829210195
Energy: 0.7620375232801665
Energy: 0.8010332936812082
Energy: 0.736305910027713
Energy: 0.7870851214185892
Energy: 0.7375562910229377
Energy: 0.80908547900162
Energy: 0.8101618302009317
Energy: 0.7516699646597271
Energy: 0.7737235174183338
Energy: 0.7146578602222072
Energy: 0.7522381983194761
Energy: 0.767906598352986
Energy: 0.7352974962651551
Energy: 0.7211968176667289
Energy: 0.7152116944092609
Energy: 0.7643734663108065
Energy: 0.7705395518632514
Energy: 0.7891950349617018
Energy: 0.6948681677578018
Energy: 0.7626375600020953
Energy: 0.7751948455829719
Energy: 0.761525672482791
Energy: 0.79226959599277
Energy: 0.7985732001635185
Energy: 0.6939034171476355
Energy: 0.7577566035534027
Energy: 0.7797825006165725
Energy: 0.7676607749159328
Energy: 0.7389744965964002
Energy: 0.7071355930411057
Energy: 0.6640185216557115
Energy: 0.7220418518591912
Energy: 0.7796150380392014
Energy: 0.7765554951010012
Energy: 0.7338933705875692
Energy: 0.7642175728226657
Energy: 0.7278878137967273
Energy: 0.7439787536544017
Energy: 0.7328990643258656
Energy: 0.7426225910038877
Energy: 0.7059368292097286
Energy: 0.7989111523902169
Energy: 0.7528739858169237
Energy: 0.7263599365208878
Energy: 0.7519719341411634
Energy: 0.7176741683767897
Energy: 0.7660202900309637
Energy: 0.717552270046152
Energy: 0.7236364654632883
Energy: 0.7431546060918232
Energy: 0.7123442768707948
Energy: 0.7017766606033852
Energy: 0.7627886812519077
Energy: 0.7775832137657963
Energy: 0.7669875238664513
Energy: 0.7630491636276143
Energy: 0.7763761464234318
Energy: 0.7634054699755335
Energy: 0.7214901874912253
Energy: 0.6894031524260156
Energy: 0.7299683799702643
Energy: 0.7579366073599865
Energy: 0.7582246674778069
Energy: 0.7385767849255048
Energy: 0.6996090093461005
Energy: 0.7519120937823157
Energy: 0.7325522523158686
Energy: 0.7379819977467321
Energy: 0.7415497660152331
Energy: 0.677186647129047
Energy: 0.7282801955161048
Energy: 0.7372966607277052
Energy: 0.6904759561293148
Energy: 0.7518608734452343
Energy: 0.7538186506565293
Energy: 0.7073921736832278
Energy: 0.7424877835191186
Energy: 0.7409506328483062
Energy: 0.7528527207326765
Energy: 0.7453029245481024
Energy: 0.7464663043679634
Energy: 0.7588438522018393
Energy: 0.7536550355783034
Energy: 0.7602494146962112
Energy: 0.7783132668321016
Energy: 0.7484862628532907
Energy: 0.750566086636722
Energy: 0.7730990864915611
Energy: 0.7486721996609303
Energy: 0.7907519456431931
Energy: 0.773936623443185
Energy: 0.7792199460803728
Energy: 0.7702783612846817
Energy: 0.7567263625884542
Energy: 0.7755384927542982
Energy: 0.7508135808694896
Energy: 0.7530343646122758
Energy: 0.7429506531304355
Energy: 0.779159288453868
Energy: 0.7653485706040573
Energy: 0.7556217025115327
Energy: 0.8083826314788077
Energy: 0.7700423415785829
Energy: 0.8178974365641296
Energy: 0.8004930880033282
Energy: 0.7759727081159328
Energy: 0.805922470360174
Energy: 0.7344877549373965
Energy: 0.7784160444865351
Energy: 0.778414966142099
Energy: 0.8094159220073792
Energy: 0.7961554366227841
Energy: 0.7552734682668316
Energy: 0.7847118343380126
Energy: 0.8286834118750315
Energy: 0.7757646240772232
Energy: 0.7593711682126266
Energy: 0.8301443749913032
Energy: 0.7944945232935875
Energy: 0.7489033149714356
Energy: 0.7576140066902951
Energy: 0.8162759715442307
Energy: 0.7614348087007285
Energy: 0.7645067739828185
Energy: 0.8125885175387741
Energy: 0.7984761510291157
Energy: 0.7434834577600891
Energy: 0.7532983549889624
Energy: 0.7347975351465923
Energy: 0.7873983263210462
Energy: 0.8024416874787828
Energy: 0.8074854800061854
Energy: 0.8048981252377942
Energy: 0.7978922876967836
Energy: 0.787106063126059
Energy: 0.806510899338566
Energy: 0.8130901363556604
Energy: 0.7599748196047935
Energy: 0.8208927146579099
Energy: 0.8074396364697835
Energy: 0.7798479311546569
Energy: 0.7809758641212826
Energy: 0.7754671856788222
Energy: 0.7751238863552335
Energy: 0.7660003289615736
Energy: 0.7809522839328883
Energy: 0.7793374872716086
Energy: 0.7901978337701684
Energy: 0.7605752023254401
Energy: 0.7390426578325326
Energy: 0.7993857544583934
Energy: 0.7601467886614982
Energy: 0.7877565275700479
Energy: 0.7967419094599771
Energy: 0.7636168891606647
Energy: 0.7664790280029384
Energy: 0.7329521613522572
Energy: 0.7813422522591161
Energy: 0.760706349400836
Energy: 0.7303306278063957
Energy: 0.7712393592958214
Energy: 0.7688401576714425
Energy: 0.7715253216145129
Energy: 0.7147725414263849
Energy: 0.7602626460618739
Energy: 0.7520904109944553
Energy: 0.750901859543901
Energy: 0.7023406955287175
Energy: 0.7278891427173646
Energy: 0.7653688633134758
Energy: 0.7713565736429895
Energy: 0.7656764321913123
Energy: 0.7761414012406658
Energy: 0.7590527703717532
Energy: 0.7760388231077794
Energy: 0.7440393848673416
Energy: 0.7460639927107708
Energy: 0.7474876007098052
Energy: 0.6921725589467954
Energy: 0.7243719998476877
Energy: 0.77949002789518
Energy: 0.7830913906169842
Energy: 0.711525133701269
Energy: 0.6966872395182502
Energy: 0.680909585598459
Energy: 0.7619431857895443
Energy: 0.7870490848062427
Energy: 0.7417231089551899
Energy: 0.7446201781887213
Energy: 0.7642900173034275
Energy: 0.7778885197501203
Energy: 0.7386631599930806
Energy: 0.7332717812316394
Energy: 0.750640731237394
Energy: 0.692399651311952
Energy: 0.7225067669105706
Energy: 0.7584190480665169
Energy: 0.7316844008334402
Energy: 0.7517021133668652
Energy: 0.7171131345178501
Energy: 0.7495723317450266
Energy: 0.7174088147374129
Energy: 0.7051216542780673
Energy: 0.7387696840982578
Energy: 0.7175628597910065
Energy: 0.6974152800819371
Energy: 0.7038798190769352
Energy: 0.7778338841247158
Energy: 0.7492926192211586
Energy: 0.7549223530970512
Energy: 0.7748674620779962
Energy: 0.7041456494649859
Energy: 0.7213073370752159
Energy: 0.687467675976455
Energy: 0.7558026757454457
Energy: 0.7594932475550115
Energy: 0.7699737348695564
Energy: 0.7394472399681625
Energy: 0.6899899243007427
Energy: 0.7654206208502564
Energy: 0.7396008973977662
Energy: 0.7919055576959151
Energy: 0.7639006840146926
Energy: 0.6762809572854157
Energy: 0.746713923774714
Energy: 0.7364509145233885
Energy: 0.6826129712147939
Energy: 0.747173788941649
Energy: 0.7415776846535561
Energy: 0.702322989269774
Energy: 0.694028372761937
Energy: 0.7398522221801365
Energy: 0.7561825490963243
Energy: 0.7448393037696439
Energy: 0.7501187653238414
Energy: 0.7167779224381833
Energy: 0.7671028926894636
Energy: 0.7462973806106309
Energy: 0.7641619747510725
Energy: 0.7442776479555169
Energy: 0.7285770470980053
Energy: 0.7857991872116097
Energy: 0.7477712358071774
Energy: 0.7899600010343903
Energy: 0.7768167979222411
Energy: 0.7510223818552273
Energy: 0.7755044468841679
Energy: 0.7558659602777956
Energy: 0.7478663524743351
Energy: 0.7448319193658086
Energy: 0.7536466594162423
Energy: 0.7931819123779696
Energy: 0.7739552930636778
Energy: 0.7603472592893538
Energy: 0.8066832443532969
Energy: 0.8173223670371715
Energy: 0.7400362404843023
Energy: 0.8483846472720206
Energy: 0.7968015761484495
Energy: 0.7859978158922478
Energy: 0.7892989726161245
Energy: 0.7501415496894003
Energy: 0.7845508179899736
Energy: 0.7759941135836352
Energy: 0.807891753097028
Energy: 0.798686976389834
Energy: 0.7970753633502368
Energy: 0.8127182749933208
Energy: 0.8286834185390548
Energy: 0.7540308030441679
Energy: 0.7551183028190463
Energy: 0.8119611448273836
Energy: 0.7886656720903199
Energy: 0.7587263996128895
Energy: 0.8229365041258248
Energy: 0.8139606421873496
Energy: 0.7617471662910164
Energy: 0.7629628612511996
Energy: 0.821738034658007
Energy: 0.7740357441566998
Energy: 0.7509188314043151
Energy: 0.7886601185895413
Energy: 0.7527770479014396
Energy: 0.7758267705152057
Energy: 0.80722707931986
Energy: 0.815880127815128
Energy: 0.7866869466945147
Energy: 0.7543226968445371
Energy: 0.8160966988684866

minimum gb energy = 0.6640185216557115 eV
minimum distance =  2.4635526233224 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.7171793895449985
Energy: 0.7780611741165485
Energy: 0.7125364292763154
Energy: 0.6891558241050405
Energy: 0.6894438498327293
Energy: 0.7122962255898847
Energy: 0.6888519556550977
Energy: 0.6990070327073631
Energy: 0.8209102709236016
Energy: 0.6905368643288082
Energy: 0.6917478025358499
Energy: 0.6912608213709852
Energy: 0.6905363403693127
Energy: 0.8205748326983607
Energy: 0.6984532923642844
Energy: 0.7776196728020073
Energy: 0.689801626867698
Energy: 0.6905801639704598
Energy: 0.6899341470912382
Energy: 0.6890924124708107
Energy: 0.689235186813707
Energy: 0.7006230246218016
Energy: 0.7784760217940094
Energy: 0.6902523847347813
Energy: 0.6912717195090997
Energy: 0.6899308095478449
Energy: 0.6897056668457338
Energy: 0.690680156264585
Energy: 0.6442174047404172
Energy: 0.8212737541871107
Energy: 0.6436175724639456
Energy: 0.8208880410442818
Energy: 0.6918733094431658
Energy: 0.6447831285529857
Energy: 0.8210830799114415
Energy: 0.7040020734402974
Energy: 0.7781323187317698
Energy: 0.6898599492941089
Energy: 0.6893551835855815
Energy: 0.6907631674242786
Energy: 0.6915080487989838
Energy: 0.6892726967512455
Energy: 0.6973004842192173
Energy: 0.8209391587238047
Energy: 0.6895517572350534
Energy: 0.691028438338439
Energy: 0.6902892045234517
Energy: 0.6896036103602416
Energy: 0.8201078473512822
Energy: 0.6968638878176723
Energy: 0.8361050399996937
Energy: 0.6899801032981576
Energy: 0.6903891973484844
Energy: 0.6896867452062978
Energy: 0.6888574202006013
Energy: 0.8208098733153705
Energy: 0.7024163413781687
Energy: 0.7777565414385237
Energy: 0.6900858331517287
Energy: 0.6963572643761486
Energy: 0.6951578789527165
Energy: 0.6912543388506321
Energy: 0.6896717715295079
Energy: 0.6433263902005193
Energy: 0.8213442463625054
Energy: 0.643393019515654
Energy: 0.8203806159767257
Energy: 0.8210727657780431
Energy: 0.6448028513112181
Energy: 0.8204460214778049
Energy: 0.7019120233390321
Energy: 0.7778784793560349
Energy: 0.6911472670887573
Energy: 0.6906289438634831
Energy: 0.69083173372762
Energy: 0.6908140462670127
Energy: 0.690156894823466
Energy: 0.6975613262203533
Energy: 0.7775859098107714
Energy: 0.6895387829474192
Energy: 0.6903545242797804
Energy: 0.6896950775850494
Energy: 0.6893347030397318
Energy: 0.8204620347846546
Energy: 0.6981532564680358
Energy: 0.8209201940365422
Energy: 0.6901411478211499
Energy: 0.6913516394281479
Energy: 0.6902807282124082
Energy: 0.6895681662293892
Energy: 0.8201977676065189
Energy: 0.7046850012488574
Energy: 0.7780787965047932
Energy: 0.689236083330983
Energy: 0.6894562362894903
Energy: 0.6903961903985981
Energy: 0.6902552274467764
Energy: 0.6885494662667397
Energy: 0.6589711847976332
Energy: 0.8212926210104924
Energy: 0.6432767299144632
Energy: 0.6923161545877762
Energy: 0.6917108403142098
Energy: 0.6915186195346882
Energy: 0.8209102803788508
Energy: 0.6972877698955088
Energy: 0.7778516390078325
Energy: 0.6901628139353323
Energy: 0.6908525261258462
Energy: 0.6904071843357219
Energy: 0.6895992253300887
Energy: 0.6914153344509083
Energy: 0.6971060896911191
Energy: 0.7774777812615679
Energy: 0.6899880722321615
Energy: 0.690754427451247
Energy: 0.6898230789812603
Energy: 0.6897162068466822
Energy: 0.6891892310263176
Energy: 0.658916911230458
Energy: 0.8213278232487788
Energy: 0.6911666232979933
Energy: 0.692189471662562
Energy: 0.6913902235838479
Energy: 0.6907304155975243
Energy: 0.8202304279411772
Energy: 0.7022310157825178
Energy: 0.7776174473161951
Energy: 0.6902728370718203
Energy: 0.6890200586652734
Energy: 0.6897745463114793
Energy: 0.6899186124297927
Energy: 0.688962317860713
Energy: 0.6983545748753193
Energy: 0.8208160848670227
Energy: 0.6900864302318388
Energy: 0.6912760869162382
Energy: 0.6909001527526644
Energy: 0.6901044635396356
Energy: 0.8199906046247963

minimum gb energy = 0.6432767299144632 eV
minimum distance =  2.49064956921827 Angstroms
sigma value = 23