Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
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=4.070949114859104
cohesive_energy=3.369388139873114
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=[0.0, 1.8327458733989397e-19, 2.8562964160298395e-19, 3.2371978889970002e-19, 3.5526184029325797e-19, 3.81962113898868e-19, 4.0488445500150593e-19, 4.2474984308647194e-19, 4.42069372500012e-19, 4.57227565634286e-19, 4.705176208133159e-19, 4.82171853649032e-19, 4.923777188076119e-19, 5.01290627422554e-19, 5.090387536245779e-19, 5.15727841071528e-19, 5.21450816008176e-19, 5.26289389442856e-19, 5.3031245497083e-19, 5.33577690950922e-19, 5.36141173565322e-19, 5.3805096811305e-19, 5.39345526833322e-19, 5.39792534114208e-19, 5.39448066137898e-19, 5.38489964510766e-19, 5.369246379393479e-19, 5.34651149295702e-19, 5.31493259150088e-19, 5.272330714802819e-19, 5.216158402014779e-19, 5.1437079746253e-19, 5.051951318796119e-19, 4.93723547180172e-19, 4.79505831730056e-19, 4.619956432970699e-19, 4.40508852458496e-19, 4.14197907774948e-19, 3.81987748725012e-19, 3.4251171863988593e-19, 2.94013831928706e-19, 2.34201373828218e-19, 1.60042225058577e-19, 6.74705419756812e-20, -4.90764326937174e-20, -1.97410591781676e-19, -3.8907738033046197e-19, -6.41996983773702e-19, -9.853402320866339e-19, -1.469586904476696e-18, -2.18871747794106e-18, -3.3353151860631597e-18, -5.35777479469404e-18, -9.499161067088939e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012550715454533332
Energy: 0.3497319772634458
Energy: 0.347599786622456
Energy: 0.5985974082460244
Energy: 0.6014471768842241
Energy: 0.28929652783439325
Energy: 0.012970934881013226
Energy: 0.10790634444702968
Energy: 0.6234453794826177
Energy: 0.28404865220041564
Energy: 0.34745538448309826
Energy: 0.34844583859945716
Energy: 0.013179662684635395
Energy: 0.1067008344181725
Energy: 0.013035873669294163
Energy: 0.6210244812494753
Energy: 0.6027116973763429
Energy: 0.5293720953415756
Energy: 0.3482017664269544
Energy: 0.10683255000256137
Energy: 0.10805364527067633
Energy: 0.014577172811731138
Energy: 0.350917904284766
Energy: 0.5286871011120086
Energy: 0.6012080385508979
Energy: 0.6037129307379272
Energy: 0.10817794952364224
Energy: 0.01293680716075697
Energy: 0.107625284543364
Energy: 0.6224886735289725
Energy: 0.2844350091247918
Energy: 0.3473534886572947
Energy: 0.3484690987148923
Energy: 0.01604793916696448
Energy: 0.10696494862344949
Energy: 0.012963719355312077
Energy: 0.34745359467333153
Energy: 0.6055243550702608
Energy: 0.5286121148577141
Energy: 0.45601833396858027
Energy: 0.10669300584127858
Energy: 0.11024007758059519

minimum gb energy = 0.012550715454533332 eV
minimum distance =  2.8424598820776 Angstroms
sigma value = 5


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

Energy: 0.7278442347041191
Energy: 0.8589876970107093
Energy: 0.7466795762245961
Energy: 0.8202814421102343
Energy: 0.7825535553665582
Energy: 0.7862323059825621
Energy: 0.8183271233992241
Energy: 0.6717584235515061
Energy: 0.8170205554090766
Energy: 0.7143861471331155
Energy: 0.8174102999394087
Energy: 0.807188687733477
Energy: 0.7211029185279361
Energy: 0.7806536554974491
Energy: 0.7420350265386269
Energy: 0.7827221568576302
Energy: 0.7453572660242191
Energy: 0.7512842237111351
Energy: 0.7659000357351459
Energy: 0.7452465523212701
Energy: 0.7774914915250433
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Energy: 0.8183275256062948
Energy: 0.7187575870935677
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Energy: 0.7525206017073629
Energy: 0.7478822076102931
Energy: 0.8242385495705981
Energy: 0.7515627910024085
Energy: 0.8226790887051129
Energy: 0.7254949814043768
Energy: 0.7562259904780683
Energy: 0.7576080799105394
Energy: 0.7731554943731297
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Energy: 0.6803441699752659
Energy: 0.7929117113315791
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Energy: 0.7426930891590039
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Energy: 0.7622960596314383
Energy: 0.7994846664975276
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Energy: 0.712046070083066
Energy: 0.7311513281314616
Energy: 0.7287682800373663
Energy: 0.8012510221609427
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Energy: 0.7594804894025908
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Energy: 0.7803083872635536
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Energy: 0.7797731896995428
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Energy: 0.7064507117336432
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Energy: 0.8115866813663268
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Energy: 0.8215773548467195
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Energy: 0.7626508685149577
Energy: 0.778521879384916
Energy: 0.7471813378003717
Energy: 0.8033074327156223
Energy: 0.7122593262417761
Energy: 0.8038453378688968
Energy: 0.7565408655591012
Energy: 0.7285631689343453
Energy: 0.7159403817092106
Energy: 0.7603081342849152
Energy: 0.8217705712505253
Energy: 0.7694519868939363
Energy: 0.7837527447089284
Energy: 0.7051668679804014
Energy: 0.7226026397915122
Energy: 0.7811810012615278
Energy: 0.7631582864365855
Energy: 0.8222702706677368
Energy: 0.7506652869347524
Energy: 0.7823094867790121
Energy: 0.6827987877802156
Energy: 0.7387974004063244
Energy: 0.7840253439204923
Energy: 0.6983968847649702
Energy: 0.8461810209835109
Energy: 0.7563900894009061
Energy: 0.7933496608911167
Energy: 0.73935485897916
Energy: 0.7450370845218759
Energy: 0.7326430811132196
Energy: 0.7426512125070931
Energy: 0.762099590376341
Energy: 0.6574727703115372
Energy: 0.8010102140360829
Energy: 0.7409395622579753
Energy: 0.7627894973228408
Energy: 0.7792835984920988
Energy: 0.7461695644108317
Energy: 0.8033837443504357
Energy: 0.7200916286686315
Energy: 0.7588416146795374
Energy: 0.7249759094853949
Energy: 0.7720836208201398
Energy: 0.7561377390459452
Energy: 0.7459217251643667
Energy: 0.718717704610537
Energy: 0.713173798308531
Energy: 0.7679453549997107
Energy: 0.7756110871265307
Energy: 0.7961259478222359
Energy: 0.7473920599375823
Energy: 0.7205707348603592
Energy: 0.7758721593870477
Energy: 0.7151917638913188
Energy: 0.7853083626801066
Energy: 0.714504983405154
Energy: 0.7799943060213652
Energy: 0.7838128284507575
Energy: 0.7563788209478498
Energy: 0.7903218194515512

minimum gb energy = 0.6574727703115372 eV
minimum distance =  2.49019494930492 Angstroms
sigma value = 401


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

Energy: 0.7272565364914182
Energy: 0.8074104810777676
Energy: 0.7450674611583884
Energy: 0.8226301933131257
Energy: 0.8241285127378367
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Energy: 0.7391426358088609
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Energy: 0.7815563075070864
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Energy: 0.7300723163221176
Energy: 0.747314590824991
Energy: 0.7831078958819829
Energy: 0.7759675525134627
Energy: 0.8575873492906456
Energy: 0.7735318026704832
Energy: 0.8687068525226503
Energy: 0.7685851832365941
Energy: 0.7569433011167584
Energy: 0.7054993188067341
Energy: 0.7491549594000212
Energy: 0.8599649111282119
Energy: 0.7652832204247445
Energy: 0.816881993217579
Energy: 0.7334733051142421
Energy: 0.7619890427828582
Energy: 0.7349057041757534
Energy: 0.746940507543095
Energy: 0.8005468939237882
Energy: 0.6881810296706822
Energy: 0.7699082290113424
Energy: 0.7367717060127535
Energy: 0.7996025535389861
Energy: 0.7942501840130238
Energy: 0.7835985898317075
Energy: 0.7451295216712744
Energy: 0.7113916163275698
Energy: 0.7427700718026665
Energy: 0.7629710110973091
Energy: 0.875971935231941
Energy: 0.8056517067711249
Energy: 0.7266445934231957
Energy: 0.7440652985860097
Energy: 0.6757677399147226
Energy: 0.7491110235861783
Energy: 0.798559748564668
Energy: 0.8597405493272113
Energy: 0.8209623770035093
Energy: 0.7199734170378702
Energy: 0.7332341616608594
Energy: 0.6799624830621884
Energy: 0.7347388490467319
Energy: 0.7828895687061499
Energy: 0.7672367123555381
Energy: 0.7804124156715654
Energy: 0.7671857336161245
Energy: 0.7672598129083072
Energy: 0.6986404381014643
Energy: 0.7474449044108419
Energy: 0.7097774240025826
Energy: 0.792798497214585
Energy: 0.8321725921780759
Energy: 0.7754648272714906
Energy: 0.7318840575010864
Energy: 0.7379963243663856
Energy: 0.7748258487330338
Energy: 0.7757550392544603
Energy: 0.7289336514762376
Energy: 0.7663988595432321
Energy: 0.7511266817158874
Energy: 0.789827067704707
Energy: 0.6655587015013643
Energy: 0.8356289788429603
Energy: 0.7179882718941277
Energy: 0.7454641040774349
Energy: 0.7073898267212679
Energy: 0.7452622384867151
Energy: 0.8370353711960419
Energy: 0.7467905643105529
Energy: 0.8586265611246024
Energy: 0.7279125292508831
Energy: 0.7388567623056806
Energy: 0.7365307765081338
Energy: 0.7734361673537017
Energy: 0.8317441091247818
Energy: 0.7621893595281081
Energy: 0.877663262121848
Energy: 0.7131372373882657
Energy: 0.7561568980020583
Energy: 0.6874955579525877
Energy: 0.7286966358074898
Energy: 0.842615035320331
Energy: 0.7643831412430211
Energy: 0.8272460421504213
Energy: 0.7282897925295273
Energy: 0.7550318157660507
Energy: 0.7303768254410251
Energy: 0.7444985244900213
Energy: 0.7915550194360793
Energy: 0.6925757390031559
Energy: 0.7682376012100631
Energy: 0.738933618109693
Energy: 0.7892168025041993
Energy: 0.8142523708673329
Energy: 0.7872157882701225
Energy: 0.7686194293568227
Energy: 0.7114465912383817
Energy: 0.7495670144538851
Energy: 0.7623835155010588
Energy: 0.7520757923073461
Energy: 0.7943799416843612
Energy: 0.728622695844912
Energy: 0.7432294765628595
Energy: 0.691840379472434
Energy: 0.7384535520319416
Energy: 0.7882519062064695
Energy: 0.876172594100007
Energy: 0.8681429501947989
Energy: 0.7044593134439636
Energy: 0.743745824899654

minimum gb energy = 0.6599682121330808 eV
minimum distance =  2.4702726519305 Angstroms
sigma value = 311


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

Energy: 0.726571264946827
Energy: 0.818929310798275
Energy: 0.7199497599448286
Energy: 0.7772939552717207
Energy: 0.7507989964588597
Energy: 0.7349080881526103
Energy: 0.7650647029286206
Energy: 0.7273885754091973
Energy: 0.8028377855509206
Energy: 0.7324292565865742
Energy: 0.783295848130513
Energy: 0.7500753562441997
Energy: 0.7496845393477529
Energy: 0.7665276700217082
Energy: 0.7302622988823213
Energy: 0.7556694753513378
Energy: 0.7081589142253774
Energy: 0.7428668199563746
Energy: 0.7370174291903485
Energy: 0.7070438668946702
Energy: 0.736718683868208
Energy: 0.7110773909767681
Energy: 0.7957356123303803
Energy: 0.7026971842897447
Energy: 0.7954094788262169
Energy: 0.7956699059129211
Energy: 0.7280656007409909
Energy: 0.7968438337852579
Energy: 0.733226944797107
Energy: 0.7688225150669533
Energy: 0.7464946957876638
Energy: 0.7553252154720989
Energy: 0.7581932237550755
Energy: 0.7282336191129004
Energy: 0.7937500409405175
Energy: 0.7048211301818379
Energy: 0.7502374099402318
Energy: 0.7276301072034996
Energy: 0.8169012602883459
Energy: 0.7230936862787203
Energy: 0.6967569100920016
Energy: 0.8093250661591388
Energy: 0.7212863517264311
Energy: 0.8023739351101209
Energy: 0.7283632894948477
Energy: 0.7503148852377469
Energy: 0.7719815700277557
Energy: 0.7241800277217997
Energy: 0.7619775378521685
Energy: 0.7010542730810893
Energy: 0.7857082487828764
Energy: 0.7499856369710752
Energy: 0.7937527948157581
Energy: 0.7540276109388075
Energy: 0.6678004301907583
Energy: 0.7641462487813476
Energy: 0.7175313885969429
Energy: 0.7444674062512932
Energy: 0.7195543392346748
Energy: 0.7448394684495696
Energy: 0.7670221802466726
Energy: 0.7000850516384667
Energy: 0.7474739467828135
Energy: 0.7258114600885335
Energy: 0.8146734867896273
Energy: 0.7045558175968308
Energy: 0.7722876771883389
Energy: 0.776974789377952
Energy: 0.7107573148521158
Energy: 0.7915442705791788
Energy: 0.7247684688002834
Energy: 0.7714915670241824
Energy: 0.7449548351214075
Energy: 0.7577650584012939
Energy: 0.7511225938373842
Energy: 0.7536290280608462
Energy: 0.7743520067912844
Energy: 0.6981178296699502
Energy: 0.7858471299198064
Energy: 0.7308067402011915
Energy: 0.7520187683981635
Energy: 0.7254777795560184
Energy: 0.6891060465600352
Energy: 0.7609536109496414
Energy: 0.7179523989848272
Energy: 0.7907252295165488
Energy: 0.7232675629885308
Energy: 0.778607503666463
Energy: 0.7765707021688147
Energy: 0.7255147236704829
Energy: 0.7214629464793724
Energy: 0.7242400993505733
Energy: 0.7773249633346738
Energy: 0.7432174367393136
Energy: 0.7845193855787651
Energy: 0.7651636992515962
Energy: 0.7729099293966026
Energy: 0.8082633953286679
Energy: 0.7176450563991027
Energy: 0.740624822029856
Energy: 0.707479332323558
Energy: 0.7519505752586932
Energy: 0.7771256771563081
Energy: 0.7278897684523363
Energy: 0.7141325504369714
Energy: 0.7072424320861693
Energy: 0.7802857196899712
Energy: 0.7174720192320706
Energy: 0.8002363647472689
Energy: 0.785174596336065
Energy: 0.7232989302391145
Energy: 0.7855227720381922
Energy: 0.7435601487238274
Energy: 0.7875811856644206
Energy: 0.7493605861842343
Energy: 0.7541619042196908
Energy: 0.7630227239258658
Energy: 0.7450558472285556
Energy: 0.8040205264681763
Energy: 0.7443372981883969
Energy: 0.8063199913797157
Energy: 0.6973174063295012
Energy: 0.770973168996591
Energy: 0.6913560825704177
Energy: 0.735425976978645
Energy: 0.7727822111735902
Energy: 0.7204311616949142
Energy: 0.8062721095054889
Energy: 0.7203711460035952
Energy: 0.7717790535000103
Energy: 0.7177166234720895
Energy: 0.7215766152529627
Energy: 0.7555661281508734
Energy: 0.7538791858207533
Energy: 0.7659593556177243
Energy: 0.7297400347683617
Energy: 0.7701948494362673
Energy: 0.7502617304908111
Energy: 0.7558241844783246
Energy: 0.813606001132182
Energy: 0.7203847565034118
Energy: 0.7457802526978972
Energy: 0.7129268013820669
Energy: 0.7106347004611138
Energy: 0.7292146074716517
Energy: 0.7179000430012794
Energy: 0.7341943610797542
Energy: 0.7141181881420213
Energy: 0.755596872164599
Energy: 0.7100012397098041
Energy: 0.7877207538810347
Energy: 0.7864858458301407
Energy: 0.7244003735219235
Energy: 0.7854906919830779
Energy: 0.7411356262602371
Energy: 0.7944363435399804
Energy: 0.7518234320681324
Energy: 0.7630721515857837
Energy: 0.7559664819489945
Energy: 0.7468297152551377
Energy: 0.7396456940894156
Energy: 0.7417476571459958
Energy: 0.79258800875181
Energy: 0.788482006938626
Energy: 0.7551555538195258
Energy: 0.7230954384668905
Energy: 0.7304676758256401
Energy: 0.8037689209036823
Energy: 0.728203658640208
Energy: 0.7928951561519874
Energy: 0.7310945507040718
Energy: 0.7733437050020634
Energy: 0.7883085508541905
Energy: 0.7185755112989513
Energy: 0.7718934909052255
Energy: 0.7310630954170378
Energy: 0.7835440465327659
Energy: 0.7559722683822679
Energy: 0.7927416131486988
Energy: 0.7539902743400761
Energy: 0.7414550138587939
Energy: 0.7632855826121842
Energy: 0.7014107931142609
Energy: 0.7465725729294487
Energy: 0.7309933616272871
Energy: 0.7844626004892467
Energy: 0.7542299546872219
Energy: 0.6976620809141111
Energy: 0.7348815275827988
Energy: 0.7190739555588345
Energy: 0.7605394441906732
Energy: 0.7282385918237441
Energy: 0.7891146172875458
Energy: 0.7290477827166695
Energy: 0.7372983593558431
Energy: 0.7288444866383117
Energy: 0.7353503297782298
Energy: 0.7927768955540876
Energy: 0.7462845973455965
Energy: 0.7438099274441572
Energy: 0.7641849917308121
Energy: 0.7505452965922449
Energy: 0.7661356139048993
Energy: 0.7328685834900573
Energy: 0.7947477783694452
Energy: 0.7342743379046224
Energy: 0.7908427214235051
Energy: 0.7544570622049884
Energy: 0.7414114097000376
Energy: 0.7998283987652558
Energy: 0.7272653200776542
Energy: 0.7813094033560721
Energy: 0.7026372500488578
Energy: 0.7589817011551867
Energy: 0.7397187889640262
Energy: 0.6805935512267924
Energy: 0.757130655521973
Energy: 0.7277211925367141
Energy: 0.7506265032666092
Energy: 0.7355181392143132
Energy: 0.7710653494967401
Energy: 0.766906720623781
Energy: 0.7647919112178576
Energy: 0.7580124396933962
Energy: 0.6958563902503012
Energy: 0.757159901789678
Energy: 0.7084744102359691
Energy: 0.7501508210309897
Energy: 0.7832594247976922
Energy: 0.7103165751083322
Energy: 0.7339156165963784
Energy: 0.6994064442762847
Energy: 0.760822114113154
Energy: 0.7396920807664306
Energy: 0.7752776000905216
Energy: 0.7312891867393595
Energy: 0.7086180142128431
Energy: 0.7511479763390778
Energy: 0.7487633069986077
Energy: 0.8109333366060343
Energy: 0.7374367758727828
Energy: 0.7414557393769912
Energy: 0.7449561035951041
Energy: 0.7415071481122627
Energy: 0.8308392371387175
Energy: 0.7253927616499436
Energy: 0.8309165320793354
Energy: 0.7291826174152481
Energy: 0.7834773259531378
Energy: 0.7762054488430425
Energy: 0.7394037722750454
Energy: 0.763669563126976

minimum gb energy = 0.6678004301907583 eV
minimum distance =  2.45491989454802 Angstroms
sigma value = 39


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

Energy: 0.6435686853355592
Energy: 0.7581519523990176
Energy: 0.7685073645422569
Energy: 0.8140829517192093
Energy: 0.726155654704041
Energy: 0.7641818778495237
Energy: 0.7357232095254708
Energy: 0.7539467145357671
Energy: 0.7088653112732382
Energy: 0.723745321708753
Energy: 0.6971617015551004
Energy: 0.6717302965818926
Energy: 0.7044520402352958
Energy: 0.8193398168940705
Energy: 0.6822848671286893
Energy: 0.6504406165591851
Energy: 0.6919473408200232
Energy: 0.6646809140399247
Energy: 0.6752751779130212
Energy: 0.6744741682223964
Energy: 0.7881425564166059
Energy: 0.6636723792621916
Energy: 0.7866567284019513
Energy: 0.6888384559890358
Energy: 0.7151535889472997
Energy: 0.7232706929527698
Energy: 0.7226753322996023
Energy: 0.7570462043281725
Energy: 0.6752588665728624
Energy: 0.6597708983288829
Energy: 0.6818448865338966
Energy: 0.7081200810800742
Energy: 0.7618353577625081
Energy: 0.7583472555671543
Energy: 0.7831888156538703
Energy: 0.64808099141004
Energy: 0.6597573424051929
Energy: 0.7379461541160187
Energy: 0.7806752516698107
Energy: 0.7286281781610909
Energy: 0.6715635415311854
Energy: 0.8130287675969923
Energy: 0.7782959222749697
Energy: 0.9062263101058394
Energy: 0.7968321105671887
Energy: 0.7294311319856909
Energy: 0.6441074728047621
Energy: 0.6454302339953703
Energy: 0.8177119471266496
Energy: 0.6454780104999823
Energy: 0.7534205557666618
Energy: 0.8021398607846525
Energy: 0.7676874163052063
Energy: 0.7141475454818567
Energy: 0.7030252908261746
Energy: 0.8102296210399227
Energy: 0.6452723220427515
Energy: 0.7550542678407269
Energy: 0.7543236715639107
Energy: 0.6865791241031779
Energy: 0.6714834214954546
Energy: 0.7866718382707327
Energy: 0.8056808808680843
Energy: 0.7702566691233574
Energy: 0.8444232866901565
Energy: 0.7076537638264238
Energy: 0.6495498932760644
Energy: 0.679957347280533
Energy: 0.7043464520274487
Energy: 0.7945139194354536
Energy: 0.666877280545523
Energy: 0.6497215698691778
Energy: 0.6871269385335588
Energy: 0.6968152924453588
Energy: 0.6816139244918944
Energy: 0.7158013758883284
Energy: 0.8070885281343817
Energy: 0.6777574045772232
Energy: 0.6611273515422205
Energy: 0.6791568127450555
Energy: 0.6476298107525735
Energy: 0.7021662469557264
Energy: 0.7320084450479833
Energy: 0.7899166651536406
Energy: 0.6474591006887582
Energy: 0.6767253027958806
Energy: 0.6925171994160394
Energy: 0.7488900684218629
Energy: 0.718238588775399
Energy: 0.7556510621489364
Energy: 0.7621827006269
Energy: 0.7721828985330541
Energy: 0.6601498826214311
Energy: 0.7536390841430238
Energy: 0.7415843288479358
Energy: 0.6441086407856096
Energy: 0.6624112823906865
Energy: 0.8183132768567254
Energy: 0.6537089445898857
Energy: 0.7129766643148889
Energy: 0.7905000549374638
Energy: 0.745638333909841
Energy: 0.645655314688738
Energy: 0.6702766549042624
Energy: 0.8169928806236437
Energy: 0.6436808413670952
Energy: 0.7244576675564256
Energy: 0.7679545693762464
Energy: 0.7606540639362224
Energy: 0.7237489935444776
Energy: 0.7625405317577322
Energy: 0.7331340467006727
Energy: 0.702076748576293
Energy: 0.726777121891826
Energy: 0.7228024643752711
Energy: 0.6970842228354579
Energy: 0.6695379526153956
Energy: 0.704411134515585
Energy: 0.8095828170209944
Energy: 0.6823179255316613
Energy: 0.6501669809770603
Energy: 0.6919142801246077
Energy: 0.6653047203853669
Energy: 0.675363525665555
Energy: 0.6744349209686148
Energy: 0.8490067468889373
Energy: 0.6633791233575416
Energy: 0.7225640689735027
Energy: 0.6876043653278178
Energy: 0.7150563872270818
Energy: 0.7048842000849308
Energy: 0.7229443294271934
Energy: 0.7588879107038872
Energy: 0.6763203170948604
Energy: 0.6604192320822801
Energy: 0.6871452403223669
Energy: 0.7237516864779766
Energy: 0.7602684359445342
Energy: 0.7694695425747593
Energy: 0.7827460832120806
Energy: 0.6434547336428711
Energy: 0.6598929399975397
Energy: 0.7376860171151863
Energy: 0.7622194741729287
Energy: 0.7271000651365196
Energy: 0.6730984116854564
Energy: 0.8138912751562913
Energy: 0.7879909588790913
Energy: 0.9145817041776217
Energy: 0.7968288268528173
Energy: 0.7294936403976857
Energy: 0.6440859585343152
Energy: 0.6452550749998724
Energy: 0.8181307809093544
Energy: 0.6451791128835935
Energy: 0.7538789747738245
Energy: 0.8012682365482151
Energy: 0.7677061073883679
Energy: 0.7380364345557087
Energy: 0.7597850945680423
Energy: 0.8079129947974611
Energy: 0.6443001170983007
Energy: 0.7540368478477703
Energy: 0.7539028707723154
Energy: 0.6851415934222718
Energy: 0.7715994479020779
Energy: 0.7766031150269399
Energy: 0.8121456695370965
Energy: 0.7770054909946604
Energy: 0.765779547182926
Energy: 0.7075043478396509
Energy: 0.6744494401076047
Energy: 0.6715554003334981
Energy: 0.6928016168660992
Energy: 0.790195151540919
Energy: 0.6668565299267256
Energy: 0.649846217739278
Energy: 0.6872312117455145
Energy: 0.696899592221781
Energy: 0.681337173438788
Energy: 0.7256648725877135
Energy: 0.8001844477100838
Energy: 0.6756180888873236
Energy: 0.6603044450747512
Energy: 0.6786853855074328
Energy: 0.6475128986571618
Energy: 0.7603326250230077
Energy: 0.7323726265274234
Energy: 0.790218148909716
Energy: 0.6451982634518001
Energy: 0.6504966660312876
Energy: 0.6946162335229408
Energy: 0.7532441986987164
Energy: 0.7261388395455409
Energy: 0.7559892185704623
Energy: 0.7413742927434672
Energy: 0.7719631124739943
Energy: 0.6798846860545695
Energy: 0.7538361022550764
Energy: 0.7414948994333823
Energy: 0.6438788422297226
Energy: 0.6544789890587792
Energy: 0.8116083812223038
Energy: 0.6436901826543917
Energy: 0.7205690745226894
Energy: 0.7913507328154149
Energy: 0.7573915982001499
Energy: 0.6441012756303744
Energy: 0.6703232635604104
Energy: 0.8086551262133358

minimum gb energy = 0.6434547336428711 eV
minimum distance =  2.50516915568987 Angstroms
sigma value = 21


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

Energy: 0.8081883611377748
Energy: 0.8443622461339448
Energy: 0.7827056643715922
Energy: 0.841712862203669
Energy: 0.7608739182510051
Energy: 0.7825768018574952
Energy: 0.7978913575388327
Energy: 0.7714490830476644
Energy: 0.766201286707855
Energy: 0.8476368587058626
Energy: 0.7880014779382138
Energy: 0.7733762574593785
Energy: 0.8456357368754216
Energy: 0.8742154023185184
Energy: 0.738947461158215
Energy: 0.768847683271964
Energy: 0.794718214701668
Energy: 0.7731443142957602
Energy: 0.757713139887106
Energy: 0.7925544289909613
Energy: 0.8518382705588436
Energy: 0.7800169885161833
Energy: 0.8059925226664981
Energy: 0.7122292788149107
Energy: 0.7990262648805209
Energy: 0.7276469240195805
Energy: 0.7050602692415856
Energy: 0.8130383301973004
Energy: 0.6917334194306978
Energy: 0.7458781226050248
Energy: 0.8114118473820462
Energy: 0.7370618476494922
Energy: 0.8177905021023815
Energy: 0.734564691624825
Energy: 0.709854034749196
Energy: 0.6547559850003047
Energy: 0.6963338372935313
Energy: 0.7644312433814371
Energy: 0.7435103570156455
Energy: 0.799969342893589
Energy: 0.6913464239549145
Energy: 0.6713002006562155
Energy: 0.7980923102862274
Energy: 0.8756514891061955
Energy: 0.7043629404584061
Energy: 0.7564404356458542
Energy: 0.7106269621858204
Energy: 0.6766879436184442
Energy: 0.6674947697852739
Energy: 0.7865014719688457
Energy: 0.6993068457758002
Energy: 0.7726341961419047
Energy: 0.721631989772328
Energy: 0.7487223161128189
Energy: 0.7407918552617727
Energy: 0.7064887899091152
Energy: 0.7096232335871728
Energy: 0.8177609506152382
Energy: 0.7854682773988408
Energy: 0.7922506939986153
Energy: 0.8215621161474015
Energy: 0.868243274252457
Energy: 0.8424460141214787
Energy: 0.7893746791757538
Energy: 0.7657091341436515
Energy: 0.7085045531830498
Energy: 0.743634510700855
Energy: 0.7576104474037407
Energy: 0.780983837250901
Energy: 0.8371423127642327
Energy: 0.7971723636171927
Energy: 0.7758850574771285
Energy: 0.7725056616986281
Energy: 0.7435391411674427
Energy: 0.835698451781665
Energy: 0.7851071264746713
Energy: 0.8242410430862724
Energy: 0.7975727018429405
Energy: 0.7026715525018046
Energy: 0.8591326157201898
Energy: 0.8429118886621171
Energy: 0.8304473579575236
Energy: 0.8027532516912715
Energy: 0.8698918138293726
Energy: 0.8122185346252841
Energy: 0.7769943781347469
Energy: 0.8055540144335254
Energy: 0.746695804577354
Energy: 0.7583061516490477
Energy: 0.7647849492596933
Energy: 0.80427321396831
Energy: 0.8288164534229869
Energy: 0.779325401805511
Energy: 0.8182354487541397
Energy: 0.7590995204711497
Energy: 0.8010607902544605
Energy: 0.7849874483840025
Energy: 0.8192402511371186
Energy: 0.7728408027127366
Energy: 0.7809113906444057
Energy: 0.6939257262614611
Energy: 0.7786251414322848
Energy: 0.7807702175236549
Energy: 0.8056199375593254
Energy: 0.8189258635396823
Energy: 0.7777507283327434
Energy: 0.7779934608875969
Energy: 0.7369298473810614
Energy: 0.7997219712004088
Energy: 0.7787843145654363
Energy: 0.7907496769196839
Energy: 0.8301446722631017
Energy: 0.7412708546926102
Energy: 0.7448852538535411
Energy: 0.7026475766730667
Energy: 0.6886959519592826
Energy: 0.7033917063374047
Energy: 0.7554595743504966
Energy: 0.7032931354493085
Energy: 0.6518669984961724
Energy: 0.692805030046235
Energy: 0.7579373620292371
Energy: 0.8617758041738455
Energy: 0.8006590055927616
Energy: 0.7766596599091824
Energy: 0.7705973042458985
Energy: 0.7347513250157328
Energy: 0.710413934994368
Energy: 0.7835456565447337
Energy: 0.689894266299384
Energy: 0.6970453648765379
Energy: 0.6907388580794529
Energy: 0.6779831637473056
Energy: 0.7860543303963775
Energy: 0.6986163888850047
Energy: 0.7849258282029576
Energy: 0.728122284461795
Energy: 0.7286588959401777
Energy: 0.7455647513330236
Energy: 0.7545665327221825
Energy: 0.6971222552603831
Energy: 0.7267475463291452
Energy: 0.7707456419935464
Energy: 0.7861006917138917
Energy: 0.7509824234983203
Energy: 0.7846094601001732
Energy: 0.81517058398432
Energy: 0.7867501162054772
Energy: 0.7874783099978012
Energy: 0.7080549123001708
Energy: 0.7768201862275992
Energy: 0.7329756201257489
Energy: 0.7727809155575527
Energy: 0.8189865551475813
Energy: 0.8054351386406987
Energy: 0.7666269490020097
Energy: 0.7893009131383006
Energy: 0.8288255546612588
Energy: 0.7753836144208923
Energy: 0.7681155239652414
Energy: 0.8521016557696426
Energy: 0.7706021625706821
Energy: 0.8594863272445185
Energy: 0.7806215235191093
Energy: 0.8315808964820395
Energy: 0.809139248020805
Energy: 0.8091904657919698
Energy: 0.7999855722298883
Energy: 0.7556023144742754
Energy: 0.7729461483897292
Energy: 0.850816676047267
Energy: 0.7576077541732033
Energy: 0.7736108104111971
Energy: 0.7816198320952606
Energy: 0.7864795326531462

minimum gb energy = 0.6518669984961724 eV
minimum distance =  2.49387375519267 Angstroms
sigma value = 113


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

Energy: 0.8248002875355752
Energy: 0.8748937001407244
Energy: 0.8162827273445667
Energy: 0.8591454043978576
Energy: 0.824770736087224
Energy: 0.8093136729538287
Energy: 0.8533628374901107
Energy: 0.8741699503809395
Energy: 0.8704307874121119
Energy: 0.8537963521103252
Energy: 0.8702087827912302
Energy: 0.8514764140739152
Energy: 0.8628851376592168
Energy: 0.8367127246251236
Energy: 0.8594403360364409
Energy: 0.8508183243476299
Energy: 0.8039784386229624
Energy: 0.807316206878282
Energy: 0.7972814390818439
Energy: 0.8132270970168294
Energy: 0.8352933640723718
Energy: 0.783248487251987
Energy: 0.8614714185745421
Energy: 0.7770210118786883
Energy: 0.8093500044692984
Energy: 0.8195575869262871
Energy: 0.790081331183293
Energy: 0.8618252499193072
Energy: 0.7616212608650891
Energy: 0.8141990862452417
Energy: 0.8241363919579446
Energy: 0.8363242451598092
Energy: 0.8485489358915075
Energy: 0.8355217146131747
Energy: 0.7966040875640428
Energy: 0.7604553446498354
Energy: 0.8063049204783073
Energy: 0.7637452844722565
Energy: 0.8189118614810436
Energy: 0.7825405936824883
Energy: 0.7324632753483697
Energy: 0.8054015222916105
Energy: 0.8151278929010907
Energy: 0.8851476346742555
Energy: 0.8371967809355423
Energy: 0.7747081164459846
Energy: 0.7816033846130243
Energy: 0.8222170578292698
Energy: 0.8141244910779961
Energy: 0.8136828246711513
Energy: 0.7594572639139964
Energy: 0.7970651084168442
Energy: 0.7964022625104772
Energy: 0.7963423784229158
Energy: 0.7921850934082673
Energy: 0.7380146842495694
Energy: 0.7810328436817277
Energy: 0.8223753658642798
Energy: 0.783866624080506
Energy: 0.8039832561334781
Energy: 0.7773182451616839
Energy: 0.7922383094266846
Energy: 0.8246785804666544
Energy: 0.7798279083442249
Energy: 0.7819738914428613
Energy: 0.8068021838504583
Energy: 0.736581864929972
Energy: 0.778777511447545
Energy: 0.7917347236385789
Energy: 0.7571422825947833
Energy: 0.7904495444432386
Energy: 0.7512446501922191
Energy: 0.7691312271506939
Energy: 0.7830562828826129
Energy: 0.8078538362799312
Energy: 0.7531513880212715
Energy: 0.750295996269084
Energy: 0.8016000772378791
Energy: 0.8665134413441776
Energy: 0.7942854870016014
Energy: 0.7841412921910716
Energy: 0.7597066620823433
Energy: 0.7680791734251883
Energy: 0.832245698523887
Energy: 0.8185718606938774
Energy: 0.6954517096394932
Energy: 0.77529021358898
Energy: 0.7679371997646972
Energy: 0.7886927618316113
Energy: 0.7784948269704355
Energy: 0.726896967093038
Energy: 0.7882091578618213
Energy: 0.7705546033616677
Energy: 0.8167757845413404
Energy: 0.7819605168878426
Energy: 0.797992404674672
Energy: 0.8396104616203103
Energy: 0.7769217920855439
Energy: 0.7636032271733348
Energy: 0.7936982371159989
Energy: 0.7735822115583982
Energy: 0.8163208303016826
Energy: 0.8019182720522332
Energy: 0.7981512041284974
Energy: 0.8166263085920216
Energy: 0.7516229929663646
Energy: 0.7748247435579751
Energy: 0.8330884441618306
Energy: 0.8212111093485567
Energy: 0.8095024052700835
Energy: 0.8160010108121784
Energy: 0.7679492223218042
Energy: 0.8313961726356289
Energy: 0.8808622306010322
Energy: 0.8089477233006883
Energy: 0.8058422714425544
Energy: 0.7826631058286211
Energy: 0.7786577306009416
Energy: 0.8451372666947425
Energy: 0.7959936829102982
Energy: 0.8248996765591086
Energy: 0.8001780727638362
Energy: 0.7991208183793919
Energy: 0.7596876139023084
Energy: 0.7906287262402961
Energy: 0.7998630468457325
Energy: 0.818863938363837
Energy: 0.8387074769591304
Energy: 0.8188974740269993
Energy: 0.8438933305798607
Energy: 0.8664604406287515
Energy: 0.8853113680871952
Energy: 0.8151771539527848
Energy: 0.8175544476890926
Energy: 0.8425016089838634
Energy: 0.7789422626163286
Energy: 0.8234349325210082
Energy: 0.8008288388399153
Energy: 0.8038893315802625
Energy: 0.874703870840926
Energy: 0.84745934018175
Energy: 0.8185189051705987
Energy: 0.8382189436373898
Energy: 0.8495700431462121
Energy: 0.8264061201620915
Energy: 0.7899288736679702
Energy: 0.8878958711937318
Energy: 0.8701137337299277
Energy: 0.8022988829365241
Energy: 0.8149502081436097
Energy: 0.8961942862912009
Energy: 0.8204748749855806
Energy: 0.7993502986014424
Energy: 0.8668317312559741
Energy: 0.8235807462288497
Energy: 0.8442730019042981
Energy: 0.8157281621956779
Energy: 0.8584401649427865
Energy: 0.8254076017078752
Energy: 0.8139542259502728
Energy: 0.8522136936440645
Energy: 0.8495991973368022
Energy: 0.8390560642400081
Energy: 0.8221787575611521
Energy: 0.8367978278073378
Energy: 0.8731804408130056
Energy: 0.8669579579279041
Energy: 0.8742078073953089
Energy: 0.822442688650246
Energy: 0.8462843347755347
Energy: 0.8058291817698533
Energy: 0.8056663350306472
Energy: 0.7710103818043589
Energy: 0.8111230313608354
Energy: 0.8678286987351824
Energy: 0.8006470719105988
Energy: 0.8562582820553966
Energy: 0.776845301604602
Energy: 0.825802658878261
Energy: 0.8070465814633491
Energy: 0.7872994331616101
Energy: 0.8699772711084944
Energy: 0.7718744834064477
Energy: 0.8160290055927382
Energy: 0.8233502034395402
Energy: 0.7900311455751432
Energy: 0.8539829717414648
Energy: 0.8013296570804733
Energy: 0.7963748777883801
Energy: 0.7228352095696268
Energy: 0.8034928244511259
Energy: 0.7947123327950222
Energy: 0.842139169654742
Energy: 0.7832620927559603
Energy: 0.7410433726805195
Energy: 0.8023638270285124
Energy: 0.8147391884803215
Energy: 0.8274163022782896
Energy: 0.8380156915989377
Energy: 0.8016663009149755
Energy: 0.7845078606381916
Energy: 0.8195857879301733
Energy: 0.8099120378570311
Energy: 0.8250232962465678
Energy: 0.7033905854680487
Energy: 0.7746939579142906
Energy: 0.7964089195383395
Energy: 0.7973301663321072
Energy: 0.7590947831895716
Energy: 0.7263027860607093
Energy: 0.7131539497984527
Energy: 0.8157472437047227
Energy: 0.7818177391894319
Energy: 0.8058526353487532
Energy: 0.7769727033618022
Energy: 0.7909074951908036
Energy: 0.8324134771943162
Energy: 0.7937140188104843
Energy: 0.787141121831501
Energy: 0.802847886966872
Energy: 0.7160707573967547
Energy: 0.7716607050647339
Energy: 0.773848110919031
Energy: 0.7402636063510183
Energy: 0.781311505771756
Energy: 0.7518775688730531
Energy: 0.7733685936341143
Energy: 0.7591396525595168
Energy: 0.7884248063079208
Energy: 0.7608900534995257
Energy: 0.7544326776554535
Energy: 0.7911538724973392
Energy: 0.8644244575492487
Energy: 0.7882337705446583
Energy: 0.7865647600032706
Energy: 0.7611494319836514
Energy: 0.765800112369659
Energy: 0.7990707397856865
Energy: 0.8176183292509116
Energy: 0.6962979078268977
Energy: 0.77466580983798
Energy: 0.7668283949019109
Energy: 0.7892858756251276
Energy: 0.7890479846239689
Energy: 0.7225321721259687
Energy: 0.7749444886160219
Energy: 0.7700632309844352
Energy: 0.8172428545963218
Energy: 0.79216701487076
Energy: 0.8094999968305476
Energy: 0.8383205658944487
Energy: 0.7753552619987588
Energy: 0.7284246042521191
Energy: 0.795439873995415
Energy: 0.7741154918441562
Energy: 0.7850068707145025
Energy: 0.7691198481645777
Energy: 0.7588974612760676
Energy: 0.8147164538845627
Energy: 0.7592170464248642
Energy: 0.7698303748940283
Energy: 0.8352061629317146
Energy: 0.7905928963065827
Energy: 0.812662237708914
Energy: 0.8196531483635466
Energy: 0.7663831204311832
Energy: 0.8164990169876414
Energy: 0.8824742680453543
Energy: 0.8139179343372814
Energy: 0.812266889472988
Energy: 0.7804128449511123
Energy: 0.7490442733027084
Energy: 0.8456892151167074
Energy: 0.798559371311116
Energy: 0.8224373615477975
Energy: 0.7696818183070011
Energy: 0.7970793919569025
Energy: 0.7918150383465357
Energy: 0.7907887437424355
Energy: 0.8003559875251972
Energy: 0.8273351152897401
Energy: 0.863791648193358
Energy: 0.8315416194087081
Energy: 0.8457536683610248
Energy: 0.8649752094389144
Energy: 0.8514544382579761
Energy: 0.8516736369663759
Energy: 0.8191885956887274
Energy: 0.8402713333654621
Energy: 0.7749272980285563
Energy: 0.8380838814801106
Energy: 0.8018186109327633
Energy: 0.8084544316429301
Energy: 0.8779300698793961
Energy: 0.8560620561136275
Energy: 0.8059001965443257
Energy: 0.839192809826172
Energy: 0.841475255839742
Energy: 0.8210809467750576
Energy: 0.8191285422926453
Energy: 0.8951613214626648
Energy: 0.8563640884913067
Energy: 0.8055815112667096
Energy: 0.8259102404134483
Energy: 0.8520385701138752
Energy: 0.8185870125521366
Energy: 0.7981037581911605
Energy: 0.8832478657626933
Energy: 0.8269545456639302
Energy: 0.8187191222972355
Energy: 0.8384705610426636
Energy: 0.8593381492385549
Energy: 0.8043039440631611
Energy: 0.8253644792467958
Energy: 0.8512336674105149

minimum gb energy = 0.6954517096394932 eV
minimum distance =  2.45220411125537 Angstroms
sigma value = 365


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

Energy: 0.7282328719541536
Energy: 0.7955270516329641
Energy: 0.725534216366492
Energy: 0.7110325821468164
Energy: 0.7113949790457756
Energy: 0.7263723516507994
Energy: 0.7101391545233259
Energy: 0.7287029649181788
Energy: 0.8360510253264651
Energy: 0.7131238047564117
Energy: 0.7142990506576783
Energy: 0.7142269387451989
Energy: 0.7139347118500512
Energy: 0.8171778581488578
Energy: 0.7255153012449368
Energy: 0.7953955161429428
Energy: 0.7138361231336979
Energy: 0.7181607934610685
Energy: 0.7135743807340595
Energy: 0.7128260701104828
Energy: 0.7151791972302881
Energy: 0.72532200838044
Energy: 0.794522534119432
Energy: 0.7123816218132776
Energy: 0.7172151044427089
Energy: 0.7174293452608496
Energy: 0.7132882132038928
Energy: 0.7167414206195188
Energy: 0.688069627878095
Energy: 0.8171985584946213
Energy: 0.6714015595393298
Energy: 0.8165023836513005
Energy: 0.7110415497035246
Energy: 0.6772253674440506
Energy: 0.8179846581479115
Energy: 0.7273182907476579
Energy: 0.7954825180972863
Energy: 0.7217246481099951
Energy: 0.7119089471396849
Energy: 0.7173721348035488
Energy: 0.7220354965082453
Energy: 0.710342153104747
Energy: 0.7276351031201745
Energy: 0.8361361678005925
Energy: 0.7133060035241742
Energy: 0.7140445934456463
Energy: 0.7135946356459225
Energy: 0.7135627741759899
Energy: 0.836005358979964
Energy: 0.7263195872990021
Energy: 0.836809667205608
Energy: 0.713348699476641
Energy: 0.7141811439459691
Energy: 0.7134182424720559
Energy: 0.7127299374879441
Energy: 0.8356850846498777
Energy: 0.7244546870853096
Energy: 0.7955120552672318
Energy: 0.7261438758970679
Energy: 0.7177769379593055
Energy: 0.7178465562685838
Energy: 0.7217397595884378
Energy: 0.7103907702435145
Energy: 0.6932682525585102
Energy: 0.817389035714938
Energy: 0.6641607928930445
Energy: 0.8169781837268534
Energy: 0.8166891961540699
Energy: 0.6645501327583628
Energy: 0.8176173919256071
Energy: 0.7245415125580195
Energy: 0.7963536904970239
Energy: 0.7217544628364985
Energy: 0.7227826196315011
Energy: 0.7177603611880876
Energy: 0.7227361523852721
Energy: 0.7112100730250213
Energy: 0.7260423771706203
Energy: 0.7948002605264968
Energy: 0.7183743848890096
Energy: 0.7135738900575065
Energy: 0.7132679533871387
Energy: 0.7129409002113575
Energy: 0.8354530482277984
Energy: 0.72822548580553
Energy: 0.8360313605510462
Energy: 0.7135365314833524
Energy: 0.7144507074672893
Energy: 0.7136107920413256
Energy: 0.7135933101611613
Energy: 0.836105181603722
Energy: 0.7274120283205266
Energy: 0.7965080753417582
Energy: 0.7211105454504452
Energy: 0.711209166860991
Energy: 0.7104556078524759
Energy: 0.7224927918243977
Energy: 0.7099591687100347
Energy: 0.6630111795280352
Energy: 0.8188567207369564
Energy: 0.6739943435159376
Energy: 0.7109282519136892
Energy: 0.7145105508514995
Energy: 0.7135524367452247
Energy: 0.8175966309275734
Energy: 0.7247613476234034
Energy: 0.7969203466456453
Energy: 0.7140295530506545
Energy: 0.7180185381090943
Energy: 0.7184189234212847
Energy: 0.7120987282209456
Energy: 0.712478831384732
Energy: 0.7253631251112045
Energy: 0.7974812392591197
Energy: 0.7131157824932314
Energy: 0.7177335178064065
Energy: 0.7182297323209306
Energy: 0.7136919070836102
Energy: 0.7131840697178614
Energy: 0.6925482473992698
Energy: 0.8355362341811965
Energy: 0.7111007422346712
Energy: 0.7142614147758934
Energy: 0.7146974856796205
Energy: 0.714311704836892
Energy: 0.8171018621370344
Energy: 0.7274276925343123
Energy: 0.79562648226872
Energy: 0.7253294028456725
Energy: 0.71122110590666
Energy: 0.7112340889834212
Energy: 0.7222530117706493
Energy: 0.710041905731782
Energy: 0.7286303591503722
Energy: 0.8361413418828412
Energy: 0.7139557774400526
Energy: 0.7142154810921587
Energy: 0.7141680430533763
Energy: 0.7134674754479421
Energy: 0.8361285162345228

minimum gb energy = 0.6630111795280352 eV
minimum distance =  2.47216092023545 Angstroms
sigma value = 23