Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_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=4.049985826015473
cohesive_energy=3.3534000933305403
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, 0.0, 3.1040890542442797e-19, 3.46794336782568e-19, 3.76416980568594e-19, 4.01135361677946e-19, 4.22090229874032e-19, 4.40042619058002e-19, 4.55529258402246e-19, 4.689410790054599e-19, 4.80582494428104e-19, 4.906858202821079e-19, 4.99441715586918e-19, 5.0700078494613e-19, 5.134928046670979e-19, 5.190219162310319e-19, 5.236794437060699e-19, 5.27542291570644e-19, 5.30676149066748e-19, 5.3314029672984e-19, 5.34986004212208e-19, 5.362565302829699e-19, 5.369935315346099e-19, 5.372322558530759e-19, 5.3697750976827e-19, 5.36162001861564e-19, 5.346831928283819e-19, 5.32456167307122e-19, 5.2935435334369795e-19, 5.25223941981246e-19, 5.198902959666599e-19, 5.131435301608859e-19, 5.0473370500902e-19, 4.94356406950602e-19, 4.81643135359812e-19, 4.661436786024959e-19, 4.4730368356329e-19, 4.2443261211293992e-19, 3.9666368669245197e-19, 3.6290422283743798e-19, 3.21750713816514e-19, 2.71386291326724e-19, 2.0942851871331e-19, 1.3269371078685058e-19, 3.68664047836668e-20, -8.403592684759739e-20, -2.3858012256894e-19, -4.397029576115939e-19, -7.079073261431939e-19, -1.077646434501276e-18, -1.61142119317818e-18, -2.4349079395215e-18, -3.84078589232382e-18, -6.66917239138938e-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: 0.01262080782795651
Energy: 0.01447905940258435
Energy: 0.29271892705935165
Energy: 0.5499647964149396
Energy: 0.5989930365057512
Energy: 0.6749275428973621
Energy: 0.013966377853313732
Energy: 0.013614349644148978
Energy: 0.5957442382718549
Energy: 0.18616149823533054
Energy: 0.2919962735028712
Energy: 0.2931188358362366
Energy: 0.013574164822152969
Energy: 0.057614225106257105
Energy: 0.013509483610324842
Energy: 0.45587823556301504
Energy: 0.4524997627994622
Energy: 0.2919583223724372
Energy: 0.29306381527893266
Energy: 0.05480089754344215
Energy: 0.05708535398359982
Energy: 0.014423748405160837
Energy: 0.29321000291466454
Energy: 0.5444764990692662
Energy: 0.5487421591187013
Energy: 0.5996012994875846
Energy: 0.5185228145120012
Energy: 0.013868344910699533
Energy: 0.05601543821571876
Energy: 0.5965241040606244
Energy: 0.1860741901014873
Energy: 0.29346649282123927
Energy: 0.2952887287034982
Energy: 0.01667674480510923
Energy: 0.054754815440319904
Energy: 0.012925011271656628
Energy: 0.6263932014631542
Energy: 0.45287268757433924
Energy: 0.4533141790915726
Energy: 0.4565037503559896
Energy: 0.5179677665725391
Energy: 0.05695406236530877

minimum gb energy = 0.01262080782795651 eV
minimum distance =  2.83804033518129 Angstroms
sigma value = 5


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

Energy: 0.7086203320144804
Energy: 0.7783135890232874
Energy: 0.7488740612401286
Energy: 0.8197768133068436
Energy: 0.783734374103564
Energy: 0.7666617530253791
Energy: 0.7786925549006033
Energy: 0.6763229458741961
Energy: 0.8167520227063418
Energy: 0.6924655811583438
Energy: 0.8318325288119089
Energy: 0.7875089223781249
Energy: 0.704441097959659
Energy: 0.7872962995310512
Energy: 0.73736154802319
Energy: 0.7285535413174775
Energy: 0.7449548450562253
Energy: 0.7776924996454847
Energy: 0.7385398263967323
Energy: 0.7380612584656133
Energy: 0.7590121546382838
Energy: 0.7192579126049436
Energy: 0.8135629111436742
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Energy: 0.755174988371432
Energy: 0.7651691710418242
Energy: 0.7566381259155838
Energy: 0.7874623054702873
Energy: 0.7473248605466245
Energy: 0.7855430552750093
Energy: 0.7177773333072913
Energy: 0.7293931909049332
Energy: 0.7562170860975704
Energy: 0.7689191600090788
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Energy: 0.6685005750705197
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Energy: 0.7777060130864244
Energy: 0.7605266634253215
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Energy: 0.7748940974603966
Energy: 0.6625753699062416
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Energy: 0.7658692888360867
Energy: 0.6509748359440973
Energy: 0.7710690536688237
Energy: 0.7414435399257759
Energy: 0.7818136173446096
Energy: 0.7224380670968257
Energy: 0.7318234901972093
Energy: 0.723047063367631
Energy: 0.7334087181898924
Energy: 0.7574137889929761
Energy: 0.6484326503530279
Energy: 0.7857030583154518
Energy: 0.7711372224360028
Energy: 0.7435903406435728
Energy: 0.7809615489187686
Energy: 0.6922665980083883
Energy: 0.8052629562443342
Energy: 0.712867402986204
Energy: 0.7313121310507793
Energy: 0.7153822359274957
Energy: 0.7594077015348045
Energy: 0.8164700045065133
Energy: 0.7416371352964951
Energy: 0.7079425974489857
Energy: 0.6956729885723463
Energy: 0.7615360323277126
Energy: 0.7990290972595697
Energy: 0.8114840709613352
Energy: 0.7573756698237066
Energy: 0.7476416876117066
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Energy: 0.7779197012998116
Energy: 0.753308485308227
Energy: 0.7368912224683751
Energy: 0.7720067923184183
Energy: 0.7395609819645447
Energy: 0.7584472774461936

minimum gb energy = 0.6450732870985313 eV
minimum distance =  2.4802100590561 Angstroms
sigma value = 401


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

Energy: 0.7271832875044569
Energy: 0.7368259680244645
Energy: 0.7287660134823136
Energy: 0.8200204043870135
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Energy: 0.7409003292164839
Energy: 0.7538705039269716
Energy: 0.7811303803525098
Energy: 0.7550726895959534
Energy: 0.8535204924694901
Energy: 0.7605074308368179
Energy: 0.9163603514958734
Energy: 0.7571225921922132
Energy: 0.7629255901430462
Energy: 0.7009888707770172
Energy: 0.6991606638541953
Energy: 0.8282454912504752
Energy: 0.7576480612777399
Energy: 0.7852167293234346
Energy: 0.7261857271547025
Energy: 0.7461989874196501
Energy: 0.7089777614420949
Energy: 0.7249490492207796
Energy: 0.7207504065132403
Energy: 0.6907079782276105
Energy: 0.7441677874153999
Energy: 0.7796928516408042
Energy: 0.834582561566155
Energy: 0.8147811367054838
Energy: 0.7871227739890704
Energy: 0.7627078757140153
Energy: 0.6927483012357825
Energy: 0.6945215602315213
Energy: 0.7536512087636088
Energy: 0.7320125968446972
Energy: 0.7977859673429776
Energy: 0.7425779955707714
Energy: 0.7429603383657398
Energy: 0.688550432559278
Energy: 0.7090787448070799
Energy: 0.6718978718643495
Energy: 0.8904431098999189
Energy: 0.8390404760099981
Energy: 0.7752840731819688
Energy: 0.7768118806476316
Energy: 0.6919238195880357
Energy: 0.7338015555733977
Energy: 0.7735055082157649
Energy: 0.8347363619533973
Energy: 0.8140295636936788
Energy: 0.7956835380722352
Energy: 0.7243026760820539
Energy: 0.6983626230766762
Energy: 0.7396619438131421
Energy: 0.7093374993934979
Energy: 0.8198424626868447
Energy: 0.8571795308907036
Energy: 0.7510956582797986
Energy: 0.7052911208608486
Energy: 0.73716703684988
Energy: 0.7304777380579072
Energy: 0.7855414348612391
Energy: 0.7520270310432794
Energy: 0.7521891527894927
Energy: 0.7358207297445338
Energy: 0.741554222566952
Energy: 0.7117274464665228
Energy: 0.8308580007325235
Energy: 0.6705076544192868
Energy: 0.7431278646650773
Energy: 0.7071694927337305
Energy: 0.7530332941491629
Energy: 0.7611094199762145
Energy: 0.7280878578587857
Energy: 0.8199017346855564
Energy: 0.7497471223714861
Energy: 0.7360340199307002
Energy: 0.7780063347102645
Energy: 0.7901032033798929
Energy: 0.8513375404452109
Energy: 0.7878276343071369
Energy: 0.8719076985105229
Energy: 0.6536196313287369
Energy: 0.7658043164257126
Energy: 0.7010105964019117
Energy: 0.7392776310554077
Energy: 0.829458171837317
Energy: 0.7581438146755258
Energy: 0.7240562357758666
Energy: 0.7176791071963547
Energy: 0.7621085441713995
Energy: 0.7216713672670991
Energy: 0.7347549061764258
Energy: 0.7359292347861108
Energy: 0.6969012543901917
Energy: 0.7283745925822156
Energy: 0.7784221516034161
Energy: 0.8180940342628863
Energy: 0.8011185672812545
Energy: 0.7642390836857843
Energy: 0.7392452963209559
Energy: 0.7093233393046859
Energy: 0.7000825927996677
Energy: 0.7528105263713597
Energy: 0.7246598406142158
Energy: 0.775295098394636
Energy: 0.7968789215867484
Energy: 0.7399261051837827
Energy: 0.7008286318335708
Energy: 0.7297248808836857
Energy: 0.7924096061042873
Energy: 0.6957941653206456
Energy: 0.7885304864351622
Energy: 0.7744034761129089
Energy: 0.7653698225523129

minimum gb energy = 0.6458798010890037 eV
minimum distance =  2.4663432669828 Angstroms
sigma value = 311


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

Energy: 0.7234740843403064
Energy: 0.7905798811391698
Energy: 0.726926088680092
Energy: 0.7726499310611653
Energy: 0.7539699311778583
Energy: 0.7352158414868595
Energy: 0.7383324669627502
Energy: 0.6953379728310243
Energy: 0.7983129164740536
Energy: 0.7133194771773342
Energy: 0.7751790443024653
Energy: 0.7597585183363869
Energy: 0.7119370121315992
Energy: 0.7555926119590155
Energy: 0.7051426406632514
Energy: 0.6650198433038296
Energy: 0.7792389188215674
Energy: 0.7258285666477535
Energy: 0.744550087258113
Energy: 0.7446681310300526
Energy: 0.7241285106982392
Energy: 0.7060842695706446
Energy: 0.7916402668335948
Energy: 0.7238044814646135
Energy: 0.8055397894202676
Energy: 0.7902892347402474
Energy: 0.7044178798709991
Energy: 0.7449884277612364
Energy: 0.7186050876591761
Energy: 0.7601233624485195
Energy: 0.7328644869113862
Energy: 0.748253251477158
Energy: 0.7599411633149523
Energy: 0.7379418192657452
Energy: 0.7769306744801866
Energy: 0.6966856470838383
Energy: 0.741986617099634
Energy: 0.7071812398764142
Energy: 0.7548321490169674
Energy: 0.7381506589868475
Energy: 0.74024733522545
Energy: 0.7658847088816209
Energy: 0.7157702854805291
Energy: 0.7610520754430428
Energy: 0.7274147930794623
Energy: 0.7748855388076754
Energy: 0.7609580732967566
Energy: 0.7255644957090628
Energy: 0.7571130145375043
Energy: 0.6978977939775253
Energy: 0.7570743493699861
Energy: 0.7225362838219046
Energy: 0.7819059460886135
Energy: 0.7585579539613643
Energy: 0.7293601286359082
Energy: 0.7552207132201414
Energy: 0.7259716216277179
Energy: 0.6604129648886397
Energy: 0.7036797329776929
Energy: 0.7135359276778915
Energy: 0.769092286514595
Energy: 0.7575873324086871
Energy: 0.6624778951876327
Energy: 0.7268324233528254
Energy: 0.7919025385931008
Energy: 0.7405075117414832
Energy: 0.7663015054145983
Energy: 0.770549099136283
Energy: 0.7055228717870101
Energy: 0.727948134809572
Energy: 0.7251571493916292
Energy: 0.7761668713752655
Energy: 0.7508919951153945
Energy: 0.7341358374871241
Energy: 0.7239145274635105
Energy: 0.7267061203536158
Energy: 0.761082867633913
Energy: 0.714973549069604
Energy: 0.7919064298845632
Energy: 0.7214479024894381
Energy: 0.744364875135753
Energy: 0.6769992571238053
Energy: 0.6763118626820842
Energy: 0.7839104100242269
Energy: 0.7211048204328311
Energy: 0.754462689579234
Energy: 0.72021749740555
Energy: 0.7662364283987598
Energy: 0.7622720861156815
Energy: 0.7172119350811945
Energy: 0.7117549189488873
Energy: 0.7095950903863641
Energy: 0.7298029545094064
Energy: 0.7298196658351459
Energy: 0.7870338502990811
Energy: 0.7509487304626706
Energy: 0.7281372551037877
Energy: 0.7388055538781764
Energy: 0.7092639385923458
Energy: 0.662833976413179
Energy: 0.7098276307481072
Energy: 0.7279888651115652
Energy: 0.7017073185813933
Energy: 0.7758297855148815
Energy: 0.6644975537302258
Energy: 0.703465049764942
Energy: 0.7737552934743983
Energy: 0.7347019914022107
Energy: 0.7778617305396542
Energy: 0.7746575554637141
Energy: 0.7016433015414171
Energy: 0.7994176762664428
Energy: 0.7572571195082695
Energy: 0.7712462874720958
Energy: 0.7229866241099945
Energy: 0.7192950808765292
Energy: 0.7440736173700058
Energy: 0.7361576037651882
Energy: 0.7712472723679122
Energy: 0.7445598435804723
Energy: 0.7904321296780276
Energy: 0.6942050474375804
Energy: 0.7308919993667642
Energy: 0.742938976913261
Energy: 0.7113314574259977
Energy: 0.8213690869302215
Energy: 0.7147159747113737
Energy: 0.7602418386208389
Energy: 0.7144685431196629
Energy: 0.7660418007221975
Energy: 0.7103231140082408
Energy: 0.730695478218537
Energy: 0.6760856465637878
Energy: 0.7307822946040587
Energy: 0.7659457240806049
Energy: 0.717413448175921
Energy: 0.7697610152027411
Energy: 0.7362924459381581
Energy: 0.7289536767773882
Energy: 0.7437706665229833
Energy: 0.6985733832520276
Energy: 0.6787407788693229
Energy: 0.7296775549113014
Energy: 0.7378451286304639
Energy: 0.7180201349087101
Energy: 0.7074827193579226
Energy: 0.692097237148836
Energy: 0.7248400812142654
Energy: 0.7543185054739359
Energy: 0.7363552827923121
Energy: 0.7489794517862604
Energy: 0.7792310477190603
Energy: 0.7025278007122896
Energy: 0.7862247325494335
Energy: 0.7329939342209097
Energy: 0.7643129167803515
Energy: 0.7388328302503205
Energy: 0.7559118559752865
Energy: 0.7569781776211076
Energy: 0.7504709661505303
Energy: 0.7962235625374314
Energy: 0.7151154568064161
Energy: 0.7942439192062488
Energy: 0.7327897275204329
Energy: 0.7656928325458244
Energy: 0.7305726892752732
Energy: 0.750582699895762
Energy: 0.7184391803287942
Energy: 0.7163636644745612
Energy: 0.703255993237351
Energy: 0.7274999200701918
Energy: 0.6994700133927639
Energy: 0.6918120833861011
Energy: 0.7203540872784595
Energy: 0.6886559493350909
Energy: 0.7216917599551267
Energy: 0.7207505391811813
Energy: 0.7249758441714679
Energy: 0.7798272702857152
Energy: 0.755853768113624
Energy: 0.7339688546679147
Energy: 0.7670318577429468
Energy: 0.7199296693481413
Energy: 0.6821923936271322
Energy: 0.7084621762511231
Energy: 0.7703494202507205
Energy: 0.7511208907432393
Energy: 0.6986975293310157
Energy: 0.6876361824397108
Energy: 0.7089771473035215
Energy: 0.7214018966187683
Energy: 0.7227344310324875
Energy: 0.7628427504780606
Energy: 0.6997213835272801
Energy: 0.6975853668154105
Energy: 0.7864707265004098
Energy: 0.7334029223070572
Energy: 0.7650337144561091
Energy: 0.7455832471657046
Energy: 0.7694729617373556
Energy: 0.7394020898005452
Energy: 0.73922047511849
Energy: 0.7768222354811053
Energy: 0.7223808360621046
Energy: 0.8024571809462154
Energy: 0.7198640215740031
Energy: 0.7773905134099824
Energy: 0.7096607915022731
Energy: 0.7079575238285446
Energy: 0.7443179696969935
Energy: 0.7286697864509989
Energy: 0.7123255909244467
Energy: 0.6713790259820226
Energy: 0.7036094542780782
Energy: 0.7517538422695218
Energy: 0.7494888386193229
Energy: 0.7009318598484546
Energy: 0.7250185842991316
Energy: 0.7335097959355046
Energy: 0.7356325649037466
Energy: 0.7772228438297986
Energy: 0.7489543029736774
Energy: 0.7332254620053853
Energy: 0.7334681949768928
Energy: 0.6950459197961584
Energy: 0.7090723148365927
Energy: 0.7108601914582597
Energy: 0.7771032429711248
Energy: 0.7728581570525344
Energy: 0.7191997386605808
Energy: 0.7002001042165042
Energy: 0.7263363975389338
Energy: 0.7224025756505602
Energy: 0.7222248006996771
Energy: 0.7553813968281322
Energy: 0.7492024510567344
Energy: 0.6639002361193125
Energy: 0.7601564516458723
Energy: 0.7453660666493285
Energy: 0.7918633417967582
Energy: 0.7281020882729059
Energy: 0.7563873391878971
Energy: 0.772829889608687
Energy: 0.7317073928911847
Energy: 0.7880486996025804
Energy: 0.7306617569286393
Energy: 0.7910796874161573
Energy: 0.7334352518294203
Energy: 0.7556215390862314
Energy: 0.7585015491178095
Energy: 0.7360895561067448
Energy: 0.6938027813072024

minimum gb energy = 0.6604129648886397 eV
minimum distance =  2.53258842278989 Angstroms
sigma value = 39


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

Energy: 0.6421500654099395
Energy: 0.6449780004022196
Energy: 0.7469223761423999
Energy: 0.830942287986184
Energy: 0.8406967106079378
Energy: 0.7436636866324157
Energy: 0.6436756535642398
Energy: 0.7135461678911649
Energy: 0.6913288847712891
Energy: 0.6843544038150133
Energy: 0.6406750255553891
Energy: 0.7005543387831861
Energy: 0.6630018896106791
Energy: 0.6532836286151994
Energy: 0.9399344835710912
Energy: 0.6806254055222231
Energy: 0.6788649523291967
Energy: 0.6432380775842507
Energy: 0.6525823874273174
Energy: 0.6677266052115999
Energy: 0.7453020127650669
Energy: 0.653919410782994
Energy: 0.7554019383459813
Energy: 0.6760076130720002
Energy: 0.7142159926362774
Energy: 0.6710691715803574
Energy: 0.726053186554356
Energy: 0.6868829776339671
Energy: 0.6771185693328828
Energy: 0.6607564517754707
Energy: 0.6705108845942948
Energy: 0.6489991137192038
Energy: 0.7338325900165488
Energy: 0.7333277529824628
Energy: 0.6500733220853465
Energy: 0.6853813037827916
Energy: 0.6393886296994373
Energy: 0.7328175361312363
Energy: 0.7466902886985766
Energy: 0.7140109486849319
Energy: 0.6670639444741094
Energy: 0.6534728755323234
Energy: 0.7658547670083216
Energy: 0.9030429608775731
Energy: 0.7912584787907906
Energy: 0.7197097323851289
Energy: 0.7526930135511196
Energy: 0.6491994150897141
Energy: 0.8057532738790691
Energy: 0.629138029014917
Energy: 0.708096359091542
Energy: 0.8362488691193152
Energy: 0.7229664386425841
Energy: 0.7287188508092354
Energy: 0.745776417712994
Energy: 0.656091097010248
Energy: 0.641176611160709
Energy: 0.7133430389451415
Energy: 0.7366088969205338
Energy: 0.6681124449847461
Energy: 0.7474843971547662
Energy: 0.6846362345883625
Energy: 0.6544530701371591
Energy: 0.7657024403935921
Energy: 0.8146644457455365
Energy: 0.7125722825943881
Energy: 0.6650542527063906
Energy: 0.6682702375479955
Energy: 0.6863488528253383
Energy: 0.656090416465584
Energy: 0.6729717759897522
Energy: 0.6798765070973511
Energy: 0.674633267938082
Energy: 0.733537105840781
Energy: 0.6695336327929253
Energy: 0.6923221550873204
Energy: 0.6541924687112333
Energy: 0.6681205585806109
Energy: 0.7314040014556072
Energy: 0.6652244490606393
Energy: 0.6222495107553899
Energy: 0.7058796168060342
Energy: 0.6821400164742542
Energy: 0.7048101028475059
Energy: 0.6407794761031992
Energy: 0.6551898842142797
Energy: 0.7212491367326307
Energy: 0.768481745656771
Energy: 0.7644927058774919
Energy: 0.6778217124115044
Energy: 0.7019719467988552
Energy: 0.769697755688071
Energy: 0.6988174673573532
Energy: 0.7469264734168549
Energy: 0.71546674793773
Energy: 0.7210116521550475
Energy: 0.6677367095441805
Energy: 0.7397996443370629
Energy: 0.7088212146701
Energy: 0.7003839434557537
Energy: 0.7466488214481554
Energy: 0.7202150393838413
Energy: 0.7439030693154299
Energy: 0.6825460819971363
Energy: 0.7466697432539448
Energy: 0.6421718364974077
Energy: 0.7042936683346753
Energy: 0.7384295719722683
Energy: 0.8294452859374899
Energy: 0.8013815343875778
Energy: 0.6777361483246336
Energy: 0.8224045180980698
Energy: 0.7119125514728198
Energy: 0.7155099881331268
Energy: 0.6842728313170466
Energy: 0.6694831841854413
Energy: 0.7074912705910598
Energy: 0.6630139253622779
Energy: 0.6548551954571104
Energy: 0.9477699198382495
Energy: 0.6781682478673223
Energy: 0.6786468823619302
Energy: 0.6470466678697697
Energy: 0.653293768401694
Energy: 0.6684151235373086
Energy: 0.7008648168949063
Energy: 0.6541806032708626
Energy: 0.7540200450650218
Energy: 0.6760380489073465
Energy: 0.7148442287631213
Energy: 0.6737115110527753
Energy: 0.7249133978483603
Energy: 0.6846616696178259
Energy: 0.6831185947806506
Energy: 0.6519787980235147
Energy: 0.6821045350004187
Energy: 0.6622766144265535
Energy: 0.7311015581978361
Energy: 0.7537859538998539
Energy: 0.7307772719336876
Energy: 0.7066778860091553
Energy: 0.6544415733067234
Energy: 0.7268568041853849
Energy: 0.7474978574836937
Energy: 0.7150055688659985
Energy: 0.6855826622188238
Energy: 0.6517850408214422
Energy: 0.7735041408178261
Energy: 0.9025849763339707
Energy: 0.7880008511106752
Energy: 0.7219566708935604
Energy: 0.7096329376973083
Energy: 0.6590021341663838
Energy: 0.7471431698699725
Energy: 0.6687921807076562
Energy: 0.7087165776153602
Energy: 0.7212076545550629
Energy: 0.8417740369624443
Energy: 0.6966706502793423
Energy: 0.6769310093878901
Energy: 0.6547429733458121
Energy: 0.6351875407550793
Energy: 0.7028909360062024
Energy: 0.7367680977562588
Energy: 0.6662793415482677
Energy: 0.744748331333
Energy: 0.6825293361952781
Energy: 0.6543596799322153
Energy: 0.7718399361585668
Energy: 0.814452185044514
Energy: 0.7162075190015643
Energy: 0.6642096714924322
Energy: 0.6516624601220274
Energy: 0.6905623832774875
Energy: 0.655133222225023
Energy: 0.6555616734751474
Energy: 0.6793418301947514
Energy: 0.6744196489899514
Energy: 0.6956236693618916
Energy: 0.674643338033624
Energy: 0.7261451059507197
Energy: 0.6540796776253331
Energy: 0.660909093676031
Energy: 0.6708106805589746
Energy: 0.6679611501502846
Energy: 0.6188242030732303
Energy: 0.6461527415298869
Energy: 0.7851329207561759
Energy: 0.6496381784903957
Energy: 0.640666434333601
Energy: 0.6550787087113545
Energy: 0.7232504314222503
Energy: 0.7277345161133324
Energy: 0.7607183004991055
Energy: 0.6798333314890084
Energy: 0.6527602006801383
Energy: 0.7721059012731356
Energy: 0.7620441016547627
Energy: 0.7460023682500383
Energy: 0.7142661139620726
Energy: 0.7162415884197746
Energy: 0.6436211901980103
Energy: 0.7438312641854787
Energy: 0.6980357248088852
Energy: 0.7005791322768761
Energy: 0.7462778874153013
Energy: 0.7238855810339183
Energy: 0.7551466294530269
Energy: 0.6740843036028619
Energy: 0.6529852741673213

minimum gb energy = 0.6188242030732303 eV
minimum distance =  2.54749572908035 Angstroms
sigma value = 21


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

Energy: 0.8101978456254588
Energy: 0.7927737474627113
Energy: 0.8221324729876311
Energy: 0.8690615935583282
Energy: 0.8113656491460349
Energy: 0.7796238096910276
Energy: 0.7981987943429961
Energy: 0.7732671773407354
Energy: 0.8030317083903157
Energy: 0.8688385588993753
Energy: 0.7807323353196609
Energy: 0.8087064337829895
Energy: 0.8707569452500519
Energy: 0.8135181153735905
Energy: 0.8181463603646858
Energy: 0.7442607724120183
Energy: 0.7995391893850672
Energy: 0.7764922861689297
Energy: 0.7909287062932201
Energy: 0.798910415727581
Energy: 0.7441540236956499
Energy: 0.7321065598027577
Energy: 0.7975422553160071
Energy: 0.7273292733230585
Energy: 0.7862234620515581
Energy: 0.790731449685671
Energy: 0.7167108494604268
Energy: 0.7092997716997321
Energy: 0.7649091770967945
Energy: 0.7260228468169566
Energy: 0.7703233275181524
Energy: 0.7058121973953237
Energy: 0.737650842480517
Energy: 0.7231094966583543
Energy: 0.7139751738442172
Energy: 0.7107110547887643
Energy: 0.6991412422849517
Energy: 0.7850067974891359
Energy: 0.7482550794496782
Energy: 0.808582683100566
Energy: 0.7668601198602157
Energy: 0.6682530101600299
Energy: 0.7960272079634051
Energy: 0.8682276856953854
Energy: 0.7182825886698438
Energy: 0.7433075488669343
Energy: 0.6754872358145712
Energy: 0.656921484188878
Energy: 0.6732583830268848
Energy: 0.7891603440259763
Energy: 0.6172878388439776
Energy: 0.7890920380570348
Energy: 0.7002224895844951
Energy: 0.7559945459756678
Energy: 0.7646144180851366
Energy: 0.677472482713579
Energy: 0.7297345907684378
Energy: 0.7913556788865357
Energy: 0.8063907979964462
Energy: 0.7706185047220175
Energy: 0.8309901341994765
Energy: 0.8745746066005147
Energy: 0.7835296736698935
Energy: 0.7988013495071998
Energy: 0.745280455758591
Energy: 0.7216913286465904
Energy: 0.8040357078368731
Energy: 0.6923782797582024
Energy: 0.7840921622254741
Energy: 0.7999489524754226
Energy: 0.8052003259248798
Energy: 0.7407461911536197
Energy: 0.8624639861412405
Energy: 0.8342684690453588
Energy: 0.8440692477543642
Energy: 0.8512798007127776
Energy: 0.7588376997544941
Energy: 0.7676970475510676
Energy: 0.8461870890714402
Energy: 0.8584176520955085
Energy: 0.8234824533004603
Energy: 0.8442342229830638
Energy: 0.803837155804105
Energy: 0.8219000509186077
Energy: 0.791922165000848
Energy: 0.7806701618016819
Energy: 0.8310542618331268
Energy: 0.8460674259158198
Energy: 0.8637384394115841
Energy: 0.7198956660939057
Energy: 0.7312948118723765
Energy: 0.8580521275637105
Energy: 0.7664783546372329
Energy: 0.782686386263066
Energy: 0.7406468472710419
Energy: 0.7981639016963888
Energy: 0.7807166482016935
Energy: 0.7565801728515819
Energy: 0.7843556960849265
Energy: 0.7280044482928414
Energy: 0.7436597831752868
Energy: 0.7890809618045588
Energy: 0.7930209060170813
Energy: 0.8118175068397031
Energy: 0.7498055049812009
Energy: 0.882121681268897
Energy: 0.7996131302149535
Energy: 0.7093256513845563
Energy: 0.7879441655252417
Energy: 0.7402579234248
Energy: 0.7801899161322462
Energy: 0.8328064284447044
Energy: 0.7464753997946297
Energy: 0.7295132103781735
Energy: 0.7402875740690699
Energy: 0.6816631951464042
Energy: 0.733539695156239
Energy: 0.7743785689243643
Energy: 0.7213629386990283
Energy: 0.6606965295483419
Energy: 0.6772032168993292
Energy: 0.8168199307258045
Energy: 0.8886107552647786
Energy: 0.8752459766021005
Energy: 0.7822163225218315
Energy: 0.7368259677769523
Energy: 0.7217741297348623
Energy: 0.6156089727883735
Energy: 0.7932386942951526
Energy: 0.6922128472817975
Energy: 0.6862114886375553
Energy: 0.6797348638363814
Energy: 0.6709634100630796
Energy: 0.8330893049103466
Energy: 0.6359365546745506
Energy: 0.7908633701366111
Energy: 0.7254317893108743
Energy: 0.7352186566599951
Energy: 0.7686303234012847
Energy: 0.7330575831441379
Energy: 0.7047118001023618
Energy: 0.6994333834811818
Energy: 0.7775870383006673
Energy: 0.7925263638904384
Energy: 0.8289813848628306
Energy: 0.8147193285805034
Energy: 0.8164265103054822
Energy: 0.816507404935948
Energy: 0.7702006631367939
Energy: 0.6918275567678791
Energy: 0.7374118465240552
Energy: 0.7669178426405489
Energy: 0.775125084992448
Energy: 0.764384682660027
Energy: 0.875056400429574
Energy: 0.7354499396011756
Energy: 0.8322289580897434
Energy: 0.8499507572700346
Energy: 0.7628270829980068
Energy: 0.7161064227438949
Energy: 0.8257442672544741
Energy: 0.795896556979585
Energy: 0.8559884200253499
Energy: 0.7847543567863142
Energy: 0.8130902124933546
Energy: 0.8321313094438516
Energy: 0.7960321109797653
Energy: 0.8673901907372088
Energy: 0.8706399772150306
Energy: 0.7367989060556445
Energy: 0.8239282775545522
Energy: 0.7427608086101191
Energy: 0.7685756832576991
Energy: 0.7147724382762061
Energy: 0.7770633720379281

minimum gb energy = 0.6156089727883735 eV
minimum distance =  2.45890753633461 Angstroms
sigma value = 113


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

Energy: 0.8414469794353654
Energy: 0.8477449566337805
Energy: 0.8399569248707469
Energy: 0.8593307006894053
Energy: 0.8373826373644334
Energy: 0.8270660660961466
Energy: 0.8632800430851083
Energy: 0.8603589684606623
Energy: 0.8258769153081728
Energy: 0.8572132773138301
Energy: 0.8263494442798857
Energy: 0.8489426386514893
Energy: 0.8350058498278697
Energy: 0.837151548302443
Energy: 0.8750732851203668
Energy: 0.7943914091117105
Energy: 0.7980257396794301
Energy: 0.808352738812799
Energy: 0.8099886390567592
Energy: 0.7985386041974339
Energy: 0.8180703640077372
Energy: 0.786293935680263
Energy: 0.8633655635995896
Energy: 0.7936649797355853
Energy: 0.8207297967650603
Energy: 0.8386642216731902
Energy: 0.7900836547522174
Energy: 0.8309995196875226
Energy: 0.7665184295638989
Energy: 0.7991661256905208
Energy: 0.8663806146907097
Energy: 0.8108992080848696
Energy: 0.8353616956069103
Energy: 0.8402198956906591
Energy: 0.7716848517732459
Energy: 0.7936179007306606
Energy: 0.7814218870433557
Energy: 0.79657549754815
Energy: 0.7974341039977343
Energy: 0.7844917126634037
Energy: 0.7956365848555927
Energy: 0.8251659574644356
Energy: 0.8363836786387493
Energy: 0.8460525971122189
Energy: 0.8206972834346382
Energy: 0.768271726584121
Energy: 0.7790561358208039
Energy: 0.8520354319715762
Energy: 0.8369627872636445
Energy: 0.854255156584858
Energy: 0.705055475249111
Energy: 0.8192679044408245
Energy: 0.7932364191809025
Energy: 0.7855462146138441
Energy: 0.8157839124009676
Energy: 0.6970466103897006
Energy: 0.7751995102893123
Energy: 0.8232254229431573
Energy: 0.8109521275811048
Energy: 0.8133360107900378
Energy: 0.8048268480059585
Energy: 0.8014346873348093
Energy: 0.8179657803643346
Energy: 0.7997898791574459
Energy: 0.7612607570642625
Energy: 0.852512860682949
Energy: 0.7575335770201695
Energy: 0.8042501563777867
Energy: 0.7699551774500913
Energy: 0.7424212873878916
Energy: 0.8114560900508956
Energy: 0.744429210041441
Energy: 0.817478731522995
Energy: 0.7683702038991531
Energy: 0.7996766031019827
Energy: 0.7528477674390902
Energy: 0.7471491005564221
Energy: 0.8100713349045374
Energy: 0.8364030150097101
Energy: 0.8207903822516609
Energy: 0.7814856977034572
Energy: 0.7800723209893619
Energy: 0.806564473120238
Energy: 0.8345455652728174
Energy: 0.8435834907245298
Energy: 0.6951063662793727
Energy: 0.7982423925442123
Energy: 0.7743406294181433
Energy: 0.7852290372177788
Energy: 0.8107870453096542
Energy: 0.6910608859801795
Energy: 0.813270790377552
Energy: 0.7487814290978207
Energy: 0.8683614290422661
Energy: 0.7789884786867464
Energy: 0.7685064266447562
Energy: 0.8247791550052513
Energy: 0.7854160540993624
Energy: 0.7685846806404504
Energy: 0.7933319988510625
Energy: 0.7912693749934523
Energy: 0.7996582202799604
Energy: 0.8110651519175563
Energy: 0.8015842082819886
Energy: 0.7978794637619704
Energy: 0.7633844745567386
Energy: 0.7489394733823066
Energy: 0.8542272927739304
Energy: 0.78742112537371
Energy: 0.7981314770109582
Energy: 0.8159587529785324
Energy: 0.7457594375147243
Energy: 0.8509764889990662
Energy: 0.8432822779141751
Energy: 0.8149839877544789
Energy: 0.7972076595911508
Energy: 0.793598676712431
Energy: 0.8232835174636222
Energy: 0.8558393865729129
Energy: 0.8356378808799162
Energy: 0.8038657428118999
Energy: 0.7625701243979581
Energy: 0.7921122454970677
Energy: 0.7637674397229748
Energy: 0.8009385413955156
Energy: 0.7754658083864442
Energy: 0.8341932325878594
Energy: 0.8096921015251395
Energy: 0.8372233185018386
Energy: 0.8281597479903882
Energy: 0.8577010358635936
Energy: 0.8666567971602223
Energy: 0.8014808384985377
Energy: 0.8393944812671259
Energy: 0.8288301335078765
Energy: 0.81831388278859
Energy: 0.8446959357920863
Energy: 0.8109958405202823
Energy: 0.8265267126112066
Energy: 0.849481940957681
Energy: 0.8524858521145781
Energy: 0.7942391753741157
Energy: 0.8474126358157187
Energy: 0.8562801304489844
Energy: 0.8370254861769398
Energy: 0.8547335439810523
Energy: 0.8137718792862654
Energy: 0.8466852275930443
Energy: 0.8136989798233863
Energy: 0.8641771500919753
Energy: 0.8880638659100002
Energy: 0.8902772509925977
Energy: 0.7966604413694889
Energy: 0.8574016022359146
Energy: 0.8461783091012516
Energy: 0.8411402866526426
Energy: 0.8262114365421093
Energy: 0.8272685828593813
Energy: 0.8379931078633859
Energy: 0.8190299573007416
Energy: 0.8394326447057086
Energy: 0.8504381003059671
Energy: 0.8190072563709138
Energy: 0.8441676698718836
Energy: 0.83480391380346
Energy: 0.8718953945665897
Energy: 0.8499791084425554
Energy: 0.800956709702531
Energy: 0.8405642777133544
Energy: 0.7918013730350718
Energy: 0.7972424052005499
Energy: 0.8197217079822213
Energy: 0.8072605278211024
Energy: 0.8123222420589625
Energy: 0.8040993316973682
Energy: 0.8096465677544272
Energy: 0.8530260634586593
Energy: 0.8003537720511928
Energy: 0.804568439175324
Energy: 0.8056956827433251
Energy: 0.7884980187128051
Energy: 0.8484505864388552
Energy: 0.7832844531586638
Energy: 0.7956773783221512
Energy: 0.8690622265698337
Energy: 0.8167663899522443
Energy: 0.8118087303609909
Energy: 0.8246078940860626
Energy: 0.7788724509288177
Energy: 0.7740478324222277
Energy: 0.7810785747225925
Energy: 0.8097923697028612
Energy: 0.8175580373173096
Energy: 0.7960674612549127
Energy: 0.7580561778731899
Energy: 0.8187414462251204
Energy: 0.8243692416916977
Energy: 0.8620657481664764
Energy: 0.8339277549667098
Energy: 0.7770469741770973
Energy: 0.7830916691902764
Energy: 0.8554400200009642
Energy: 0.7746948452437242
Energy: 0.8398133457280541
Energy: 0.7073294309206769
Energy: 0.8005005099815037
Energy: 0.7913927848005813
Energy: 0.7877670550988822
Energy: 0.7969873598906839
Energy: 0.700623963171882
Energy: 0.7524152852662761
Energy: 0.8203008584330399
Energy: 0.8161597721249123
Energy: 0.8115580754548009
Energy: 0.8140053786724033
Energy: 0.8106703359218836
Energy: 0.8181310421830064
Energy: 0.7921748561467671
Energy: 0.7842190024625809
Energy: 0.8411636062009117
Energy: 0.759768662270951
Energy: 0.8096694382655902
Energy: 0.7749383604084366
Energy: 0.7442668475563684
Energy: 0.807038280537192
Energy: 0.7716144964975491
Energy: 0.8203097240651908
Energy: 0.7662355198117481
Energy: 0.8361865018733241
Energy: 0.8166563790520074
Energy: 0.7352277919616562
Energy: 0.767543787093279
Energy: 0.8273966485735963
Energy: 0.8152958012914197
Energy: 0.7929343274161101
Energy: 0.7837228074333669
Energy: 0.8042738178836748
Energy: 0.8263626778413308
Energy: 0.8530741414783153
Energy: 0.6987924874794805
Energy: 0.7965034743808667
Energy: 0.7728005071538673
Energy: 0.7821958783928707
Energy: 0.8377050980169669
Energy: 0.6940226484505141
Energy: 0.7986040928384374
Energy: 0.8165465592585478
Energy: 0.8448397237204384
Energy: 0.7931121680787482
Energy: 0.7723181822786673
Energy: 0.8312036693920648
Energy: 0.7808154420501298
Energy: 0.769207103578144
Energy: 0.7579459635913968
Energy: 0.7935115714902182
Energy: 0.7871276324598986
Energy: 0.782897262026913
Energy: 0.7701226797956435
Energy: 0.822936688967683
Energy: 0.7774642303622286
Energy: 0.7538377621094061
Energy: 0.8438024758120849
Energy: 0.8000824234514649
Energy: 0.7945848895295579
Energy: 0.8182442224252893
Energy: 0.7445417148451846
Energy: 0.7991386785699556
Energy: 0.8341166885496153
Energy: 0.8143161885138119
Energy: 0.8059605906164928
Energy: 0.7876605673154061
Energy: 0.7830136568218174
Energy: 0.8578858591275367
Energy: 0.8373323754661315
Energy: 0.8182713626896204
Energy: 0.7588441860331874
Energy: 0.790207293744119
Energy: 0.8062930362999146
Energy: 0.7916040971113323
Energy: 0.8212523891910697
Energy: 0.838979824308928
Energy: 0.822714723068675
Energy: 0.8453933234060707
Energy: 0.8397535397594658
Energy: 0.8444333586653673
Energy: 0.8615989056198899
Energy: 0.7879454870421888
Energy: 0.7992133958983937
Energy: 0.8326589158187815
Energy: 0.8018869079259285
Energy: 0.8526141565550177
Energy: 0.8104234201425461
Energy: 0.8178250029767126
Energy: 0.8486970815999121
Energy: 0.8575901063646048
Energy: 0.7976093543185508
Energy: 0.8510178768050967
Energy: 0.8817683218796138
Energy: 0.8526079720253866
Energy: 0.7784944411582111
Energy: 0.8121555137998288
Energy: 0.8643071895195809
Energy: 0.7880373968518185
Energy: 0.8544667196815625
Energy: 0.8491418326948291
Energy: 0.8797153962823682
Energy: 0.827381823096844
Energy: 0.839480854973275
Energy: 0.8566034941800111
Energy: 0.8443711195655285
Energy: 0.8356133088787141
Energy: 0.8507024277742847
Energy: 0.8593902693642569
Energy: 0.8377519175688013
Energy: 0.857010571392035

minimum gb energy = 0.6910608859801795 eV
minimum distance =  2.44627624952135 Angstroms
sigma value = 365


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

Energy: 0.8002233374782618
Energy: 0.6952760588204338
Energy: 0.7671665787122065
Energy: 0.6977291036017581
Energy: 0.6986616762364495
Energy: 0.7594442435468775
Energy: 0.6955335753644419
Energy: 0.6347235540429085
Energy: 0.8348199998869592
Energy: 0.7245033126734695
Energy: 0.7245295242318536
Energy: 0.724751795764885
Energy: 0.72608889968702
Energy: 0.8325660421093599
Energy: 0.735662255402703
Energy: 0.8063891111212135
Energy: 0.7268907524909093
Energy: 0.7242102060092432
Energy: 0.7237552815353541
Energy: 0.7258707173267648
Energy: 0.6974028576565792
Energy: 0.7408735951932159
Energy: 0.7826394725838277
Energy: 0.7322402846668072
Energy: 0.7199104518723141
Energy: 0.7242603149761907
Energy: 0.7263933503516307
Energy: 0.6971616791628586
Energy: 0.6363696938313487
Energy: 0.8295700964164779
Energy: 0.6202876711612808
Energy: 0.8145005335493264
Energy: 0.7252246221547349
Energy: 0.6195224155092435
Energy: 0.8492896856393262
Energy: 0.7533205445012191
Energy: 0.7821300297980647
Energy: 0.7331968208710593
Energy: 0.6976728057065738
Energy: 0.7220547790611782
Energy: 0.7328253200264313
Energy: 0.6958042607496452
Energy: 0.7358830453415885
Energy: 0.8305279474494504
Energy: 0.7262898380780376
Energy: 0.7239015497883462
Energy: 0.723958603621028
Energy: 0.725826545628706
Energy: 0.8270508352949578
Energy: 0.7356405872834101
Energy: 0.8041702308247918
Energy: 0.7267226963536054
Energy: 0.7237356306933471
Energy: 0.7236285943377858
Energy: 0.7254582179163076
Energy: 0.8264188538592709
Energy: 0.7771849821007746
Energy: 0.7615536215982195
Energy: 0.7330207942773124
Energy: 0.6983197407257586
Energy: 0.7223635704088501
Energy: 0.7549825885966311
Energy: 0.6963118307105276
Energy: 0.6301489954930618
Energy: 0.8270675005700072
Energy: 0.6202020089787333
Energy: 0.8154426745933557
Energy: 0.8178885221882463
Energy: 0.6195583331264902
Energy: 0.8152637054246703
Energy: 0.7386090817425096
Energy: 0.7819945168114153
Energy: 0.7323835842669283
Energy: 0.7208669799654579
Energy: 0.7227477720685075
Energy: 0.7245858423081459
Energy: 0.6964154913383573
Energy: 0.7355577069102496
Energy: 0.8069092217767748
Energy: 0.7269377685774518
Energy: 0.7237657002449963
Energy: 0.7237544779217291
Energy: 0.7255642975703771
Energy: 0.8270676399238573
Energy: 0.7359909195170906
Energy: 0.8291182042440463
Energy: 0.726302039659318
Energy: 0.7241667289899312
Energy: 0.724174254720923
Energy: 0.7257891282058619
Energy: 0.8289343426976219
Energy: 0.7540299616033372
Energy: 0.7824367143831291
Energy: 0.7515556778241442
Energy: 0.6977423850730939
Energy: 0.6984745442681572
Energy: 0.7516257029918875
Energy: 0.6956093980656256
Energy: 0.6297852456119879
Energy: 0.8332029455935335
Energy: 0.6201856159274396
Energy: 0.7251206631463272
Energy: 0.7250958748156715
Energy: 0.7258422586550154
Energy: 0.8298634567707217
Energy: 0.7345230496806657
Energy: 0.8062636001605858
Energy: 0.7271463736891648
Energy: 0.7238526416339872
Energy: 0.7239092276833764
Energy: 0.7261647663184472
Energy: 0.6970803600428165
Energy: 0.7351335115763705
Energy: 0.8051541173890105
Energy: 0.7269605392705557
Energy: 0.7216226692209755
Energy: 0.7239651171050664
Energy: 0.726100577159546
Energy: 0.6977827100144132
Energy: 0.6365918880900343
Energy: 0.8332301470858249
Energy: 0.726160423057356
Energy: 0.7248410737992053
Energy: 0.7249252527466233
Energy: 0.7259377742957904
Energy: 0.8314272775435941
Energy: 0.7897166077970182
Energy: 0.7818338176297389
Energy: 0.7336334604641572
Energy: 0.6976501591615902
Energy: 0.6985570235646298
Energy: 0.7506716945656893
Energy: 0.6955426784688975
Energy: 0.7360618622714029
Energy: 0.8412031466972916
Energy: 0.7255731747728579
Energy: 0.7243184103622514
Energy: 0.7242771273697266
Energy: 0.7258447161733821
Energy: 0.829960526702358

minimum gb energy = 0.6195224155092435 eV
minimum distance =  2.44590804724214 Angstroms
sigma value = 23