Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_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=4.049999177455902
cohesive_energy=3.3532637442064797
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=[1.7528613464276998e-19, 2.40180697026306e-19, 2.8819152204075e-19, 3.2641945652798996e-19, 3.58004766690666e-19, 3.8467459894022996e-19, 4.0749760509156e-19, 4.2722841033926997e-19, 4.443749046763379e-19, 4.5932801920146e-19, 4.723825544152919e-19, 4.837772346363e-19, 4.936995145306619e-19, 5.023080095851439e-19, 5.097324961071e-19, 5.16080319931008e-19, 5.21447611654908e-19, 5.259160822871339e-19, 5.29553023246314e-19, 5.324209194211739e-19, 5.345758469939039e-19, 5.3606426908689e-19, 5.369294444692499e-19, 5.372098253802e-19, 5.369086161730079e-19, 5.359296862496339e-19, 5.34143259302724e-19, 5.31395526375414e-19, 5.27499032801526e-19, 5.22224667322398e-19, 5.152952533803479e-19, 5.0636792517569995e-19, 4.950181059004439e-19, 4.8071707726536e-19, 4.62801538143972e-19, 4.404319479800639e-19, 4.12534848428856e-19, 3.77717947995402e-19, 3.34175593613184e-19, 2.79514133391006e-19, 2.1052280535433197e-19, 1.228416062290578e-19, 1.0431643889843281e-20, -1.352211444269856e-19, -3.2640343476164993e-19, -5.813433829403639e-19, -9.2802076082865e-19, -1.4106732674678817e-18, -2.10147896021976e-18, -3.1220654760777596e-18, -4.68357886710684e-18, -7.160127377346e-18, -1.1206648771241758e-17, -1.7829021583151998e-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: 0.012620211462793034
Energy: 0.013358481767539905
Energy: 0.3252656551782705
Energy: 0.6228793377513695
Energy: 0.6095456819392633
Energy: 0.26845710858010546
Energy: 0.013316459799407347
Energy: 0.01615172243229993
Energy: 0.6072577771444054
Energy: 0.2269663340808043
Energy: 0.3250810468921473
Energy: 0.3249343085851447
Energy: 0.01307576571895243
Energy: 0.06547460612451884
Energy: 0.01312923830555119
Energy: 0.6071694439287415
Energy: 0.5172580642554724
Energy: 0.5188309632694091
Energy: 0.33150130670264216
Energy: 0.06275551882222416
Energy: 0.06453655811294451
Energy: 0.014464093176749503
Energy: 0.3261646757268541
Energy: 0.5193703306138887
Energy: 0.6238577971269544
Energy: 0.6101005992390223
Energy: 0.06282901761424767
Energy: 0.013534641856371776
Energy: 0.06279004580004742
Energy: 0.6081185727408474
Energy: 0.22694860578600462
Energy: 0.32507302108186703
Energy: 0.32707614193899576
Energy: 0.016428132905196867
Energy: 0.06274782354155917
Energy: 0.012915594966125009
Energy: 0.4358692477294346
Energy: 0.5191750276609846
Energy: 0.518628863203564
Energy: 0.4342432235018963
Energy: 0.0627034719145046
Energy: 0.06414350387991524

minimum gb energy = 0.012620211462793034 eV
minimum distance =  2.83658896589844 Angstroms
sigma value = 5


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

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Energy: 0.774737470196202
Energy: 0.7900402126839762
Energy: 0.7363825027108079
Energy: 0.7853090766401802
Energy: 0.7732876212644639
Energy: 0.7379196914482038
Energy: 0.6554254291753557
Energy: 0.7614328753974189
Energy: 0.7490005898757871
Energy: 0.7839021183665138
Energy: 0.7477414927914555
Energy: 0.7352165044461452
Energy: 0.7429380029618321
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Energy: 0.752712560822054
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Energy: 0.7836396678465601
Energy: 0.7604542574961534
Energy: 0.7309984518699032
Energy: 0.7323695608432527
Energy: 0.7812410064984838
Energy: 0.6898520418167319
Energy: 0.7211560981937275
Energy: 0.7580645178153669
Energy: 0.7141085517514767
Energy: 0.789241072807705
Energy: 0.7709395434919841
Energy: 0.7840630848223485
Energy: 0.727913476408828
Energy: 0.6553541468393971
Energy: 0.7205306937237502
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Energy: 0.6801133925729588
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Energy: 0.6983496458167457
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Energy: 0.666088877235371
Energy: 0.7919117750394781
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Energy: 0.7072828064121804
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Energy: 0.6964707182755331
Energy: 0.692174903797162
Energy: 0.6992352101712437
Energy: 0.7118068559398826
Energy: 0.7474163684857417
Energy: 0.7692750545754076
Energy: 0.7093309828151021
Energy: 0.7434850794534048
Energy: 0.7006479522080089
Energy: 0.7451349357342407
Energy: 0.7478434063904708
Energy: 0.7441894825593414
Energy: 0.6748491419538771
Energy: 0.7772471212106551
Energy: 0.72729766830655
Energy: 0.7614230121745433
Energy: 0.7530445772881289
Energy: 0.7829476281872078
Energy: 0.747097050145884
Energy: 0.7235614392017026
Energy: 0.7697656914110186
Energy: 0.7289266194144823
Energy: 0.7677455074539548
Energy: 0.743459898244749
Energy: 0.7561964101426375
Energy: 0.751311030548066
Energy: 0.6998065684453545
Energy: 0.7668933220523733
Energy: 0.7702330577434247
Energy: 0.7991190959661993
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Energy: 0.773027957631536
Energy: 0.7954941958280018
Energy: 0.7221256574762032
Energy: 0.7495492211697293
Energy: 0.6960948189666915

minimum gb energy = 0.6478635466241156 eV
minimum distance =  2.43842616788733 Angstroms
sigma value = 401


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

Energy: 0.6774506069670563
Energy: 0.7260704090839744
Energy: 0.7763351815922546
Energy: 0.7602622306824015
Energy: 0.7907847209889423
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Energy: 0.6520727028679216
Energy: 0.6675489550095521
Energy: 0.7064400063042109
Energy: 0.7910631859047145
Energy: 0.7934782032227503
Energy: 0.782573503340671
Energy: 0.6663148776266258
Energy: 0.7021055449778636
Energy: 0.688550349119075
Energy: 0.7154764658261618
Energy: 0.6939630625228848
Energy: 0.8271922468833588
Energy: 0.778525752454913
Energy: 0.7608268012656222
Energy: 0.7002469969716192
Energy: 0.6913075747810178
Energy: 0.7398338563560684
Energy: 0.763557013998904
Energy: 0.7770197904066466
Energy: 0.6472971626032052
Energy: 0.7558510392683538
Energy: 0.6650149990117391
Energy: 0.6668757221500511
Energy: 0.7172652998516595
Energy: 0.7646884319477661
Energy: 0.7190858629835627
Energy: 0.7123964167740227
Energy: 0.7215545236466232
Energy: 0.7797297880577873
Energy: 0.6852869038495075
Energy: 0.7700127086284415
Energy: 0.6890331246220139
Energy: 0.6898798951025215
Energy: 0.6464711350365256
Energy: 0.7004044037190036
Energy: 0.7455226873867117
Energy: 0.6527497883295438
Energy: 0.6457300942434147
Energy: 0.7061710725301344
Energy: 0.7082971633949795
Energy: 0.6499951715617077
Energy: 0.7503030986898641
Energy: 0.75790130793846
Energy: 0.6884918442384413
Energy: 0.690111238326372
Energy: 0.7057860646237525
Energy: 0.660809383317512
Energy: 0.6620491080404509
Energy: 0.7501876758194714
Energy: 0.7163125845965806
Energy: 0.6847840422708534
Energy: 0.6743378269521761
Energy: 0.7038678863113984
Energy: 0.7156207229002775
Energy: 0.7080106968050414
Energy: 0.7890508174724701
Energy: 0.7195260837033236
Energy: 0.7518424347738121
Energy: 0.6966289411885747
Energy: 0.7751867726534833
Energy: 0.6788090451663231
Energy: 0.6570194312385511
Energy: 0.6850938301033331
Energy: 0.6481380303303426
Energy: 0.6879890099040041
Energy: 0.7322492410915911
Energy: 0.6237120465614993
Energy: 0.7889241731909696
Energy: 0.7771265376914888
Energy: 0.703643456112352
Energy: 0.6656337513957231
Energy: 0.6679365665625682
Energy: 0.7325625639527118
Energy: 0.7903179718817914
Energy: 0.7704282268321277
Energy: 0.7761621647265372
Energy: 0.7041944850171379
Energy: 0.6560045046714491
Energy: 0.6882396931329253
Energy: 0.7183289133981701
Energy: 0.6466545384096166
Energy: 0.6933433526301803
Energy: 0.7766738599338462
Energy: 0.7648625888045761
Energy: 0.6997608187849932
Energy: 0.6882029234016869
Energy: 0.7372230832421487
Energy: 0.7626173451628349
Energy: 0.7086039630460671
Energy: 0.6514681230160055
Energy: 0.7329790027438526
Energy: 0.721689247291378
Energy: 0.665400760626656
Energy: 0.6879091561478821
Energy: 0.780026528810432
Energy: 0.708247588169474
Energy: 0.6983682589455554
Energy: 0.7184112648553852
Energy: 0.7780153066848662
Energy: 0.717527788937072
Energy: 0.7696337878418504
Energy: 0.6719986766321165
Energy: 0.6900547401300866
Energy: 0.6452513738403443
Energy: 0.7039855204467009
Energy: 0.7330758726539521
Energy: 0.8385984108781025
Energy: 0.6304183259864694
Energy: 0.6670643687894656
Energy: 0.7073152458435908

minimum gb energy = 0.6237120465614993 eV
minimum distance =  2.46785623941127 Angstroms
sigma value = 311


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

Energy: 0.7311807090086587
Energy: 0.7437386182433754
Energy: 0.742581661546658
Energy: 0.7353933126120448
Energy: 0.7150524224280197
Energy: 0.7078167231000504
Energy: 0.7500552341835838
Energy: 0.6683651603123316
Energy: 0.7141464329228137
Energy: 0.7077671842148582
Energy: 0.6945173872828767
Energy: 0.7025105222308741
Energy: 0.6641483955169709
Energy: 0.7411546965955857
Energy: 0.6884777727037678
Energy: 0.7466811193011258
Energy: 0.6704468128942296
Energy: 0.7246517567250819
Energy: 0.7112945430001955
Energy: 0.7290782132636607
Energy: 0.7508168818855766
Energy: 0.7276892406524742
Energy: 0.7256793712805079
Energy: 0.706749253306476
Energy: 0.73372635355446
Energy: 0.7564195419179408
Energy: 0.730974266853746
Energy: 0.754163477382515
Energy: 0.7087515791584006
Energy: 0.7434341075368365
Energy: 0.72853541003763
Energy: 0.7463809763945038
Energy: 0.7373371463222923
Energy: 0.7166844463369186
Energy: 0.7487210433471314
Energy: 0.6755123674188104
Energy: 0.7352324819376137
Energy: 0.6914492960969043
Energy: 0.7401366176621188
Energy: 0.7172933156316278
Energy: 0.6664530217108184
Energy: 0.7354077718765608
Energy: 0.7347249456224288
Energy: 0.7634105732898552
Energy: 0.727315618340087
Energy: 0.7457256099712255
Energy: 0.7575558683486813
Energy: 0.7357577334738413
Energy: 0.7399393351688918
Energy: 0.6588847346283523
Energy: 0.7304088809222303
Energy: 0.7087186778573875
Energy: 0.7233507484079723
Energy: 0.7020533815187852
Energy: 0.6634935770217609
Energy: 0.7111479142686359
Energy: 0.7176794736933126
Energy: 0.7254666986836739
Energy: 0.6807864918697227
Energy: 0.7360946120778864
Energy: 0.7181248492332337
Energy: 0.7185847728363906
Energy: 0.722184116725867
Energy: 0.6962512946089892
Energy: 0.7431152081859104
Energy: 0.7498703685827475
Energy: 0.7658373488119529
Energy: 0.7539635723719769
Energy: 0.676474324461312
Energy: 0.7244503861653613
Energy: 0.7261454591411259
Energy: 0.7493539521220112
Energy: 0.729954945725312
Energy: 0.7593336450919738
Energy: 0.7477217943730501
Energy: 0.7765898004650852
Energy: 0.7214520564734657
Energy: 0.6785032466002713
Energy: 0.7392602343182586
Energy: 0.6700424920194514
Energy: 0.7064922046897106
Energy: 0.7118763103464076
Energy: 0.6748554938033592
Energy: 0.7313784970788478
Energy: 0.7643454253971772
Energy: 0.7478586639812137
Energy: 0.7139995754113845
Energy: 0.7230191753150493
Energy: 0.7418409371196243
Energy: 0.7361025813021864
Energy: 0.7437549759901755
Energy: 0.7354790750393013
Energy: 0.71944272089057
Energy: 0.7089984451230527
Energy: 0.7082098735977356
Energy: 0.7296687138825311
Energy: 0.7523600313570696
Energy: 0.7129936996151476
Energy: 0.7239583003051884
Energy: 0.7460288479220534
Energy: 0.7096952820139301
Energy: 0.7060952813372507
Energy: 0.7602018903115539
Energy: 0.7749150019302106
Energy: 0.7275048865788225
Energy: 0.6799026346251038
Energy: 0.7426179700940022
Energy: 0.6963821703413546
Energy: 0.7880429701567379
Energy: 0.7812220245267756
Energy: 0.7348414990018424
Energy: 0.7223876320251569
Energy: 0.7593178045735521
Energy: 0.7769978774676178
Energy: 0.7105407110575638
Energy: 0.7682726163934634
Energy: 0.746896793965894
Energy: 0.7433376823734846
Energy: 0.7263913141238157
Energy: 0.6875749146363344
Energy: 0.7554901949492872
Energy: 0.6973229938492772
Energy: 0.7272114641853353
Energy: 0.7248148422525044
Energy: 0.701452812447655
Energy: 0.714936677459693
Energy: 0.7192188809766463
Energy: 0.7571082130176431
Energy: 0.74460218513532
Energy: 0.7506644904570752
Energy: 0.7626374330219354
Energy: 0.7358995583138533
Energy: 0.7125069121427184
Energy: 0.7708013056058991
Energy: 0.7367300936049241
Energy: 0.7459270804556146
Energy: 0.7163558063280813
Energy: 0.7045217739527777
Energy: 0.7157268199006603
Energy: 0.7474945166559135
Energy: 0.702159316917278
Energy: 0.7555841219345415
Energy: 0.7030455902971215
Energy: 0.7469492063083757
Energy: 0.7416614050315822
Energy: 0.713667173453469
Energy: 0.7341350062809708
Energy: 0.6991010699810112
Energy: 0.7151865150969928
Energy: 0.6746333812834799
Energy: 0.7580336683453224
Energy: 0.7009480382225436
Energy: 0.741801282357797
Energy: 0.7574462651082592
Energy: 0.759823336457806
Energy: 0.7600278355303506
Energy: 0.7370805074289781
Energy: 0.7441616273790356
Energy: 0.7188327669682344
Energy: 0.7472878990089468
Energy: 0.7496180208920231
Energy: 0.7220859479136921
Energy: 0.7387466644793561
Energy: 0.7167296608992406
Energy: 0.7421179162011536
Energy: 0.7041044907085046
Energy: 0.7214593273896183
Energy: 0.7419810584354752
Energy: 0.7188231227341654
Energy: 0.7427202251507811
Energy: 0.7259735223959841
Energy: 0.7571704973329713
Energy: 0.705142973703528
Energy: 0.7430757476765584
Energy: 0.7219745253587682
Energy: 0.6965820376042651
Energy: 0.7371749425065938
Energy: 0.7630893439696834
Energy: 0.7307792628692397
Energy: 0.749472221929577
Energy: 0.7720916973952557
Energy: 0.7270055956430624
Energy: 0.7179273560425257
Energy: 0.7480404403361114
Energy: 0.7028736099402554
Energy: 0.7284644104923089
Energy: 0.7229898446330026
Energy: 0.7096007621741679
Energy: 0.7212237261348898
Energy: 0.6963767079121769
Energy: 0.739652122359417
Energy: 0.7223979991237391
Energy: 0.7229457835277042
Energy: 0.712150321635494
Energy: 0.6891824359877062
Energy: 0.7147985702840836
Energy: 0.7567737577747624
Energy: 0.787095078095715
Energy: 0.7111966276824832
Energy: 0.7565894409225157
Energy: 0.748561182511703
Energy: 0.7887065979419033
Energy: 0.7685648431827535
Energy: 0.7280955355641165
Energy: 0.7339586411684363
Energy: 0.7033839564575738
Energy: 0.7005935494925943
Energy: 0.7570489343761921
Energy: 0.7232716091056627
Energy: 0.7333345902188271
Energy: 0.7710843461412396
Energy: 0.7506101478362975
Energy: 0.686487843667965
Energy: 0.7050843248099498
Energy: 0.7597737414671445
Energy: 0.7443728204874405
Energy: 0.7371983799048862
Energy: 0.6802253204450602
Energy: 0.7346948674608178
Energy: 0.6924034682980406
Energy: 0.7097851700829977
Energy: 0.7367346315667753
Energy: 0.7381855646652147
Energy: 0.7302112005609593
Energy: 0.7133257169566218
Energy: 0.7521576154799904
Energy: 0.6986129004880496
Energy: 0.7110269757199686
Energy: 0.734604962382192
Energy: 0.7231562989883844
Energy: 0.7475303745660423
Energy: 0.6699877526390606
Energy: 0.744354466339822
Energy: 0.6920377185264256
Energy: 0.7347943360147494
Energy: 0.73387368755656
Energy: 0.710222461237498
Energy: 0.7093011454657006
Energy: 0.7537091763729883
Energy: 0.7572627254450486
Energy: 0.7288046377883133
Energy: 0.7456336529287091
Energy: 0.7114475263422059
Energy: 0.7436427406011272
Energy: 0.749692514192126
Energy: 0.6990707289271153
Energy: 0.7520684926944328
Energy: 0.7424105385905194
Energy: 0.77085928616763
Energy: 0.7697590817657726
Energy: 0.7205124901850157
Energy: 0.7559005409752276

minimum gb energy = 0.6588847346283523 eV
minimum distance =  2.41292008532931 Angstroms
sigma value = 39


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

Energy: 0.6678534226422076
Energy: 0.7211222305645626
Energy: 0.7769705057303532
Energy: 0.7821380019130922
Energy: 0.7987018270689382
Energy: 0.6951423214223188
Energy: 0.6951393948165094
Energy: 0.6630765906749571
Energy: 0.6852136934488082
Energy: 0.6901320183398074
Energy: 0.6456329272602932
Energy: 0.6862576208231526
Energy: 0.6782122669648073
Energy: 0.7360046219877312
Energy: 0.7851256407085191
Energy: 0.7629252398709538
Energy: 0.6937166295904628
Energy: 0.6316888642042667
Energy: 0.6581709459519824
Energy: 0.6829346140095571
Energy: 0.6749200110771775
Energy: 0.6760308314465252
Energy: 0.6772412435835471
Energy: 0.6927508041433869
Energy: 0.7078134213586741
Energy: 0.6470017872856711
Energy: 0.6923034681186889
Energy: 0.6811495808113059
Energy: 0.682428401072191
Energy: 0.6557652553990704
Energy: 0.6688823048194932
Energy: 0.6978112635888221
Energy: 0.7269488727588486
Energy: 0.6899185087724873
Energy: 0.7007754799980059
Energy: 0.666854117177956
Energy: 0.6575452533919143
Energy: 0.696732662663502
Energy: 0.7231764151707881
Energy: 0.6843333454623544
Energy: 0.6798854206941046
Energy: 0.6760934711068123
Energy: 0.7755400977005763
Energy: 0.666492443420462
Energy: 0.6857276342494973
Energy: 0.7393604539529963
Energy: 0.6677655106020524
Energy: 0.6646330837228532
Energy: 0.7894075699714699
Energy: 0.6638907756324759
Energy: 0.6906149386617227
Energy: 0.7720050656660778
Energy: 0.7265773850960564
Energy: 0.6948666294990796
Energy: 0.688825527998294
Energy: 0.70508282245297
Energy: 0.6636478679091856
Energy: 0.6848583720825018
Energy: 0.7658229698985257
Energy: 0.6609020307109351
Energy: 0.7452617972583229
Energy: 0.6893866280279719
Energy: 0.6767585488964937
Energy: 0.7756504295193566
Energy: 0.7519784536073346
Energy: 0.689014985539151
Energy: 0.6472244632171194
Energy: 0.6610585996327254
Energy: 0.680577066139622
Energy: 0.7225482085303959
Energy: 0.6787867225946753
Energy: 0.6745133742933535
Energy: 0.6901980587256094
Energy: 0.6572836119596995
Energy: 0.6560027231517553
Energy: 0.6840815608633174
Energy: 0.6764528665669776
Energy: 0.686893376091048
Energy: 0.6571640074845657
Energy: 0.6675060247448
Energy: 0.6801940478182155
Energy: 0.690086633134412
Energy: 0.6982875952630769
Energy: 0.6762918021716505
Energy: 0.6667135247290108
Energy: 0.6671231745421579
Energy: 0.6946826178533619
Energy: 0.7216220402064324
Energy: 0.6853421798155133
Energy: 0.7407734383346435
Energy: 0.7012851904235909
Energy: 0.7722129060711954
Energy: 0.744705343698547
Energy: 0.6966127062237191
Energy: 0.7368452494205852
Energy: 0.6972785670498616
Energy: 0.6659976724903577
Energy: 0.7384846593819505
Energy: 0.6631717409384293
Energy: 0.6892000395451949
Energy: 0.761308009744367
Energy: 0.6970319236376267
Energy: 0.69627271824031
Energy: 0.6671288692591886
Energy: 0.7358997526427234
Energy: 0.6675489943939963
Energy: 0.7862381018689982
Energy: 0.7764845646870258
Energy: 0.6824636699935036
Energy: 0.798373727624793
Energy: 0.6892742369725304
Energy: 0.7211204432546423
Energy: 0.6754320054452541
Energy: 0.6889523901442761
Energy: 0.6911890239752697
Energy: 0.645645871728871
Energy: 0.6861523770883275
Energy: 0.6782511751233288
Energy: 0.7362580757561831
Energy: 0.7843208127012812
Energy: 0.7634802837002594
Energy: 0.6939707277066138
Energy: 0.6317000812285891
Energy: 0.6578372025149568
Energy: 0.6829018927176123
Energy: 0.6752359851404559
Energy: 0.6759884042299332
Energy: 0.6770905408163146
Energy: 0.6928495811972589
Energy: 0.7078650194094311
Energy: 0.6459610826057233
Energy: 0.6926446272516142
Energy: 0.6769348125961244
Energy: 0.6823814792668166
Energy: 0.6569635708239833
Energy: 0.669358322524636
Energy: 0.6980563729162725
Energy: 0.7453531213007137
Energy: 0.6911991392997519
Energy: 0.7009158015425594
Energy: 0.6671055397644846
Energy: 0.6574185720466335
Energy: 0.6971543553381347
Energy: 0.723336692620655
Energy: 0.6846764237892309
Energy: 0.6653964867842745
Energy: 0.6761612388835453
Energy: 0.7756791710928138
Energy: 0.6892610715920077
Energy: 0.686392055285212
Energy: 0.7396909064433855
Energy: 0.6960062548499254
Energy: 0.6635774089431189
Energy: 0.7892301924946572
Energy: 0.663969319926509
Energy: 0.6913361887034897
Energy: 0.763887203290833
Energy: 0.7265163836556401
Energy: 0.6948353014214463
Energy: 0.6889406439237447
Energy: 0.7047921965628604
Energy: 0.6639565930651639
Energy: 0.687806441394169
Energy: 0.7658093350287875
Energy: 0.6546425981010426
Energy: 0.684702680876658
Energy: 0.7397644870522603
Energy: 0.6760262185692245
Energy: 0.7756945412929692
Energy: 0.7613817266016204
Energy: 0.6884754736645097
Energy: 0.631325917432676
Energy: 0.660748060148009
Energy: 0.6774889360551837
Energy: 0.7223869058853366
Energy: 0.678843170031298
Energy: 0.6747619293502887
Energy: 0.6906041703930949
Energy: 0.7008328221421989
Energy: 0.6560627132246043
Energy: 0.6940293857451133
Energy: 0.6767226733300081
Energy: 0.6863381237355025
Energy: 0.6570376324520856
Energy: 0.667200600809398
Energy: 0.66184315722256
Energy: 0.6898114831390795
Energy: 0.6986768235635519
Energy: 0.6762995553839745
Energy: 0.6654965215917803
Energy: 0.6674823489465803
Energy: 0.6946641325016248
Energy: 0.7237708495733951
Energy: 0.6843839477605328
Energy: 0.6908073085457376
Energy: 0.701832338694561
Energy: 0.772500043429747
Energy: 0.7443281559601629
Energy: 0.6954083052626403
Energy: 0.7368058305547103
Energy: 0.6969979461904113
Energy: 0.6640093466638137
Energy: 0.678681757521993
Energy: 0.6634888503000778
Energy: 0.689626051307114
Energy: 0.7604073221210269
Energy: 0.7230731082938174
Energy: 0.6964326991298601
Energy: 0.6673850947345624
Energy: 0.7356574319588151

minimum gb energy = 0.631325917432676 eV
minimum distance =  2.47363895438509 Angstroms
sigma value = 21


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

Energy: 0.8332224631196364
Energy: 0.8374621589528403
Energy: 0.7757091749479003
Energy: 0.8419865724993855
Energy: 0.7206036535764011
Energy: 0.7432763684331233
Energy: 0.847850265700983
Energy: 0.7886297569102226
Energy: 0.7736599213412853
Energy: 0.8151880461871654
Energy: 0.7470640857798613
Energy: 0.7889387235915762
Energy: 0.824908137202395
Energy: 0.75671424781438
Energy: 0.802560569965848
Energy: 0.764409512332896
Energy: 0.7999144752983895
Energy: 0.7537358063885418
Energy: 0.7617749708618179
Energy: 0.7989174652981212
Energy: 0.7711003275134048
Energy: 0.7508765246634495
Energy: 0.7607327716271349
Energy: 0.7591270426807615
Energy: 0.7748561543586154
Energy: 0.7470756088937193
Energy: 0.7366268484153139
Energy: 0.722896290068796
Energy: 0.7540831088451426
Energy: 0.7332029616461534
Energy: 0.7862105505510829
Energy: 0.7434314659685357
Energy: 0.7180975227039245
Energy: 0.7534457334900906
Energy: 0.7141083316209542
Energy: 0.7013653525416136
Energy: 0.6619438013270184
Energy: 0.7816178636981937
Energy: 0.7186811897975421
Energy: 0.74761975628564
Energy: 0.7156400899895852
Energy: 0.6836096045690233
Energy: 0.7894156723310986
Energy: 0.6499830712217953
Energy: 0.7363905511655523
Energy: 0.7237278026142194
Energy: 0.6774473720646367
Energy: 0.7247011917369586
Energy: 0.6493612774741668
Energy: 0.7938517261881849
Energy: 0.7279330722941902
Energy: 0.7757505666551172
Energy: 0.7364701786500563
Energy: 0.7288403772837794
Energy: 0.740957238333852
Energy: 0.7486364587099167
Energy: 0.735337722506693
Energy: 0.7849320081034521
Energy: 0.7743718546367777
Energy: 0.8028391290602018
Energy: 0.8067808233345397
Energy: 0.8228523566782185
Energy: 0.7715356198124255
Energy: 0.7841788995244824
Energy: 0.7699211701380346
Energy: 0.7266140738438858
Energy: 0.7491732602966797
Energy: 0.7237570356708345
Energy: 0.7205229827071012
Energy: 0.8062494489561554
Energy: 0.7945206247582743
Energy: 0.7530485169707224
Energy: 0.850151506253884
Energy: 0.7859638791398963
Energy: 0.6808973472124339
Energy: 0.8306320628753726
Energy: 0.7823199290945917
Energy: 0.7518401948679975
Energy: 0.7483030994148321
Energy: 0.8618926096402184
Energy: 0.8259821731946534
Energy: 0.810884618011806
Energy: 0.7912613048673158
Energy: 0.7642799215566857
Energy: 0.7897367478485603
Energy: 0.761855730295573
Energy: 0.7361302686147504
Energy: 0.7993220697566374
Energy: 0.7692138012443803
Energy: 0.7296053408832063
Energy: 0.7930008010093471
Energy: 0.8112882099619486
Energy: 0.7928053986088575
Energy: 0.7948745925837324
Energy: 0.75416895774516
Energy: 0.8155487170295175
Energy: 0.8122079833115086
Energy: 0.7543845383189509
Energy: 0.7724532819347552
Energy: 0.7352703398383642
Energy: 0.7613322761088782
Energy: 0.7728264690247532
Energy: 0.7782804505634616
Energy: 0.7556013442194476
Energy: 0.718781132656364
Energy: 0.880279033672454
Energy: 0.7429089405283282
Energy: 0.7318904016758218
Energy: 0.7367497776227413
Energy: 0.766475306900697
Energy: 0.7706670183853004
Energy: 0.7606451390321527
Energy: 0.7463621640521259
Energy: 0.6497825241713963
Energy: 0.6762225355873505
Energy: 0.7402932213396396
Energy: 0.7343292895389852
Energy: 0.698360304449758
Energy: 0.7333871680454476
Energy: 0.7033213229093425
Energy: 0.7175547680213158
Energy: 0.6954401467309236
Energy: 0.7665174144572618
Energy: 0.7030760332183194
Energy: 0.6778409616991843
Energy: 0.6935369652362654
Energy: 0.7500625005258875
Energy: 0.7375294184893642
Energy: 0.7575506957689737
Energy: 0.6730121767464673
Energy: 0.6769629233831126
Energy: 0.7375967540808293
Energy: 0.7010071970824902
Energy: 0.81180031180586
Energy: 0.6655027718365198
Energy: 0.7733137453413269
Energy: 0.7003917244126864
Energy: 0.7142486291348432
Energy: 0.72928521524369
Energy: 0.7032032104741756
Energy: 0.7365967055902423
Energy: 0.7404373543232462
Energy: 0.7477070680337711
Energy: 0.7938362763123419
Energy: 0.7783747363137918
Energy: 0.7688683703255426
Energy: 0.75862894220772
Energy: 0.7858522570721644
Energy: 0.7658861992215075
Energy: 0.7277253856080701
Energy: 0.7791404819434125
Energy: 0.7902966833524491
Energy: 0.6887819475727427
Energy: 0.7672512531744472
Energy: 0.8294217288486162
Energy: 0.7461591170250187
Energy: 0.8295402931453003
Energy: 0.8122545341507067
Energy: 0.7565012794948939
Energy: 0.7693052244648969
Energy: 0.7290509747620809
Energy: 0.7847221998112823
Energy: 0.862979053744989
Energy: 0.7957580148117988
Energy: 0.845219210122891
Energy: 0.7945280574531173
Energy: 0.7954281164492752
Energy: 0.7171053466356071
Energy: 0.8334524056739638
Energy: 0.7418382472367211
Energy: 0.8280646127378412
Energy: 0.752840017423083
Energy: 0.7564583842367192
Energy: 0.7791040354043292
Energy: 0.6820154370674285

minimum gb energy = 0.6493612774741668 eV
minimum distance =  2.46230060047528 Angstroms
sigma value = 113


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

Energy: 0.7868365517126351
Energy: 0.7930241691200285
Energy: 0.8191968323395926
Energy: 0.8229513735048185
Energy: 0.7891224082236816
Energy: 0.7985632499141374
Energy: 0.8550097079599857
Energy: 0.8214063352154223
Energy: 0.8066387684292735
Energy: 0.8430726193302388
Energy: 0.81504483897911
Energy: 0.8332795870207503
Energy: 0.8240686650373884
Energy: 0.7577758527288931
Energy: 0.8377041487048106
Energy: 0.804456280178141
Energy: 0.7887344146497078
Energy: 0.7810801995201525
Energy: 0.8020459756271049
Energy: 0.7927244604172121
Energy: 0.8040644089915515
Energy: 0.7950847260968859
Energy: 0.823559538607077
Energy: 0.7601489792249546
Energy: 0.7918663566814929
Energy: 0.7697081744387074
Energy: 0.7797414274977593
Energy: 0.8487725793354902
Energy: 0.7414965626231405
Energy: 0.7752858852037816
Energy: 0.8018469292826749
Energy: 0.7750545701325738
Energy: 0.764696828074006
Energy: 0.8246899157406291
Energy: 0.7838014171424645
Energy: 0.7564891747532805
Energy: 0.7230427813307839
Energy: 0.7915997380733693
Energy: 0.7998540307914945
Energy: 0.7011055054328394
Energy: 0.7748505781455891
Energy: 0.7786114873738558
Energy: 0.799147702130588
Energy: 0.7323208883834534
Energy: 0.8259738382915383
Energy: 0.7697647012605648
Energy: 0.7725404772603381
Energy: 0.7854431778761057
Energy: 0.7824079187433298
Energy: 0.8100075216182949
Energy: 0.6980525147533604
Energy: 0.7552406009047996
Energy: 0.7803819645492901
Energy: 0.792659657796062
Energy: 0.7692915593879115
Energy: 0.6884886152253147
Energy: 0.7583332428102217
Energy: 0.7314721243101107
Energy: 0.7758119034474571
Energy: 0.779345128970948
Energy: 0.7364512159941518
Energy: 0.780254090489305
Energy: 0.8152017762430671
Energy: 0.7519855786926066
Energy: 0.7602270342928807
Energy: 0.7863805246352221
Energy: 0.7518021363284545
Energy: 0.7009282673048752
Energy: 0.8175564732072997
Energy: 0.7598147436162354
Energy: 0.774081633123122
Energy: 0.7302115894437169
Energy: 0.7986572282433297
Energy: 0.7190234107683123
Energy: 0.7311290600503263
Energy: 0.7936734979772628
Energy: 0.7319701947815161
Energy: 0.7364907496132848
Energy: 0.7814255185457344
Energy: 0.768205383808648
Energy: 0.7595085573807584
Energy: 0.732665808285812
Energy: 0.7247520892325814
Energy: 0.7657350271644359
Energy: 0.7999994878441646
Energy: 0.6886617860365579
Energy: 0.733965718290786
Energy: 0.7448500849834957
Energy: 0.78465030593848
Energy: 0.7492036782997628
Energy: 0.6889451344584291
Energy: 0.7646239777098067
Energy: 0.7304445865249859
Energy: 0.8000940737201895
Energy: 0.7281639566696266
Energy: 0.7615371074477013
Energy: 0.8253595393847964
Energy: 0.7727822357148069
Energy: 0.7463826894510169
Energy: 0.77055911162579
Energy: 0.7655327540674689
Energy: 0.7616913203587988
Energy: 0.6902003619121911
Energy: 0.8038571519967584
Energy: 0.7679186421092773
Energy: 0.7422815684826131
Energy: 0.7491502841388828
Energy: 0.812980931674447
Energy: 0.7844463893706374
Energy: 0.7766590476706328
Energy: 0.7783013748139286
Energy: 0.7392347116349222
Energy: 0.8013494843563049
Energy: 0.7866599478687162
Energy: 0.8093254914456837
Energy: 0.7925804967333868
Energy: 0.7516722392881517
Energy: 0.7553951617515151
Energy: 0.8058119538597257
Energy: 0.780972885929538
Energy: 0.7579663891982013
Energy: 0.769450570114651
Energy: 0.7836523977286252
Energy: 0.747129809302758
Energy: 0.7632064727070766
Energy: 0.7847851830933671
Energy: 0.8032379509954923
Energy: 0.8088665288342534
Energy: 0.7927937239974328
Energy: 0.7785762460817667
Energy: 0.8084692563402252
Energy: 0.8565489821710167
Energy: 0.766056393597656
Energy: 0.7781759016976412
Energy: 0.7878706243771535
Energy: 0.7610734235655352
Energy: 0.8104513923149175
Energy: 0.7759301213093204
Energy: 0.7878972901478082
Energy: 0.8320149293393605
Energy: 0.8137084016508429
Energy: 0.8052349839821163
Energy: 0.8124846949059609
Energy: 0.832248116981677
Energy: 0.7547496905142383
Energy: 0.7639687628263112
Energy: 0.7581355680046437
Energy: 0.849417866245146
Energy: 0.7751170466108641
Energy: 0.8383127042041455
Energy: 0.8401746037935554
Energy: 0.7767658729825898
Energy: 0.7638779433567833
Energy: 0.7576785426859874
Energy: 0.7860462208986144
Energy: 0.8046315144841176
Energy: 0.8217507586109168
Energy: 0.8262593188187868
Energy: 0.7887362520780555
Energy: 0.8087172384418743
Energy: 0.838888404190405
Energy: 0.8214119262232975
Energy: 0.8068814248117948
Energy: 0.8202471581639713
Energy: 0.7784979077984955
Energy: 0.8337807880294451
Energy: 0.8501492826350991
Energy: 0.7582381513174801
Energy: 0.7868231176423383
Energy: 0.7979889583663291
Energy: 0.7883232857599382
Energy: 0.7836998869276238
Energy: 0.7820428577632695
Energy: 0.7927190677058045
Energy: 0.8046644911496289
Energy: 0.796831049002065
Energy: 0.8329246702759987
Energy: 0.7608833628120005
Energy: 0.7915362015924614
Energy: 0.7720056583586902
Energy: 0.7770138404239965
Energy: 0.8558727323146527
Energy: 0.7615475484718865
Energy: 0.7778524269162296
Energy: 0.8006320529716545
Energy: 0.7855274287306495
Energy: 0.7628782310257467
Energy: 0.8232600011375301
Energy: 0.7843619665299463
Energy: 0.7533319900239016
Energy: 0.7539259614400355
Energy: 0.7905392352800091
Energy: 0.8018564386056501
Energy: 0.7026359571199382
Energy: 0.7787250950676877
Energy: 0.7564721794666642
Energy: 0.7983024872647169
Energy: 0.6955626654843877
Energy: 0.8275974297198043
Energy: 0.7603066056101597
Energy: 0.759474343020716
Energy: 0.805728854157735
Energy: 0.779091987082091
Energy: 0.8094781552859436
Energy: 0.6891289571218182
Energy: 0.733267967389608
Energy: 0.7817750668788769
Energy: 0.7919632142535679
Energy: 0.7393069445084334
Energy: 0.6936500418418687
Energy: 0.758240113386261
Energy: 0.7236587231598449
Energy: 0.7775468003482208
Energy: 0.7756704230427027
Energy: 0.7353894613147032
Energy: 0.7665196375119254
Energy: 0.8058173717262024
Energy: 0.7752792918092617
Energy: 0.7604694224255737
Energy: 0.7868888136758997
Energy: 0.7383755356790977
Energy: 0.686865271301341
Energy: 0.7977571227243108
Energy: 0.7598194181876091
Energy: 0.7717748715155603
Energy: 0.7243947316900928
Energy: 0.8067127246940482
Energy: 0.721429888000618
Energy: 0.7356485121688395
Energy: 0.7933060632464011
Energy: 0.7307167259761985
Energy: 0.7363097637728339
Energy: 0.7809240838803478
Energy: 0.7806627603576846
Energy: 0.7696894642690933
Energy: 0.7255292168631425
Energy: 0.7246374382251927
Energy: 0.7806658069006971
Energy: 0.8009160481323038
Energy: 0.6975375353119596
Energy: 0.7333999004738856
Energy: 0.7430469999062684
Energy: 0.7830287481001963
Energy: 0.7615174573122644
Energy: 0.6834234766703722
Energy: 0.7644835567498262
Energy: 0.717219433517929
Energy: 0.8001398208531855
Energy: 0.7717423975990695
Energy: 0.7555637726396217
Energy: 0.831136956745453
Energy: 0.756472859951481
Energy: 0.7610754533628026
Energy: 0.784473783827372
Energy: 0.7646347435624908
Energy: 0.752478553472643
Energy: 0.6894527765212728
Energy: 0.8036397219903634
Energy: 0.7403639001884763
Energy: 0.7413445849799649
Energy: 0.7479671803280684
Energy: 0.8134408996851472
Energy: 0.74993257397851
Energy: 0.7849000527640687
Energy: 0.8061976055060407
Energy: 0.737912690869059
Energy: 0.8008810689484682
Energy: 0.8368268489821956
Energy: 0.8116401099985129
Energy: 0.7838185216989766
Energy: 0.7513288909576585
Energy: 0.7258650423293734
Energy: 0.8069706098907664
Energy: 0.7945523184521948
Energy: 0.7508660531954526
Energy: 0.7811313162078426
Energy: 0.7826967615560587
Energy: 0.783544243281833
Energy: 0.7633115247794909
Energy: 0.7522715149967445
Energy: 0.803162961373647
Energy: 0.8088081342835175
Energy: 0.8004692497476966
Energy: 0.778532981572295
Energy: 0.8265611326465789
Energy: 0.8557630223257475
Energy: 0.7657928640276701
Energy: 0.7952062980020456
Energy: 0.7887467311283474
Energy: 0.7561323561048622
Energy: 0.8099327991977842
Energy: 0.7888895694869988
Energy: 0.7877225689771559
Energy: 0.8468809267791055
Energy: 0.8261582465537464
Energy: 0.8089460420550791
Energy: 0.8264885498487995
Energy: 0.8249944962294056
Energy: 0.7769046768893303
Energy: 0.8062849522302995
Energy: 0.7581815248194037
Energy: 0.8404874850100365
Energy: 0.77710271741057
Energy: 0.8229196096033838
Energy: 0.8488989819954473
Energy: 0.7768642991772907
Energy: 0.7638992056847017
Energy: 0.7582727841376719
Energy: 0.7467628976578097
Energy: 0.7678354745402329
Energy: 0.8008542904615278
Energy: 0.826551271807022
Energy: 0.7877368112971476
Energy: 0.8052037063018231
Energy: 0.7868128618712106

minimum gb energy = 0.6834234766703722 eV
minimum distance =  2.44238834259291 Angstroms
sigma value = 365


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

Energy: 0.7264112595228904
Energy: 0.6748116613171968
Energy: 0.7051133605369361
Energy: 0.6778975812108173
Energy: 0.6773500187167288
Energy: 0.7049932246128309
Energy: 0.6748065228689488
Energy: 0.620173748292944
Energy: 0.7463031914355746
Energy: 0.702599289255558
Energy: 0.7019251738012305
Energy: 0.7020986199183314
Energy: 0.7042134121697763
Energy: 0.8315258950900851
Energy: 0.7025216267349015
Energy: 0.722193840375356
Energy: 0.7085345214960747
Energy: 0.703494070013296
Energy: 0.7030361245872123
Energy: 0.7026801348669004
Energy: 0.6776296492853026
Energy: 0.7028952919543614
Energy: 0.7252199727622779
Energy: 0.7026237516811418
Energy: 0.7021694980318566
Energy: 0.7026625134762442
Energy: 0.7075672930079063
Energy: 0.676872822653617
Energy: 0.6203955696854495
Energy: 0.74600563996559
Energy: 0.6111795299781547
Energy: 0.7414418514121077
Energy: 0.7035778738681455
Energy: 0.6133650435368706
Energy: 0.7461433898548022
Energy: 0.7026469721314492
Energy: 0.7225657953822754
Energy: 0.7022921566827454
Energy: 0.6776268336024155
Energy: 0.6763917468479217
Energy: 0.7018520878586418
Energy: 0.6753320114495074
Energy: 0.7090649944192668
Energy: 0.752760868714025
Energy: 0.7035529981201939
Energy: 0.7014581214265234
Energy: 0.701882874480578
Energy: 0.703411474805964
Energy: 0.8313651196831687
Energy: 0.7026178389348038
Energy: 0.8081746858885359
Energy: 0.7033173867320913
Energy: 0.704255069268208
Energy: 0.7021049775598867
Energy: 0.703994949442139
Energy: 0.7503757969342922
Energy: 0.7029662669706813
Energy: 0.7233771014347998
Energy: 0.7018709551753781
Energy: 0.6766603537627883
Energy: 0.704153841436055
Energy: 0.70211599037138
Energy: 0.6830886787388036
Energy: 0.6203880458781581
Energy: 0.7474016011761415
Energy: 0.6115765669993701
Energy: 0.7434369585729107
Energy: 0.7434746651601307
Energy: 0.6133690165687794
Energy: 0.7484381289982697
Energy: 0.702997235943069
Energy: 0.7230741650575424
Energy: 0.7029236593651453
Energy: 0.7035494471738669
Energy: 0.7030657657257039
Energy: 0.7019307125447578
Energy: 0.6762533554933713
Energy: 0.7022127075621313
Energy: 0.7219386556073555
Energy: 0.7027461218119766
Energy: 0.7030677051091848
Energy: 0.7025642899160782
Energy: 0.7042551762258147
Energy: 0.7228464059149492
Energy: 0.7028360987557797
Energy: 0.752383881156823
Energy: 0.7047614106986043
Energy: 0.7021094341647497
Energy: 0.7027227608656529
Energy: 0.7040821440256575
Energy: 0.8319677906614141
Energy: 0.7017969752458526
Energy: 0.7498442278933608
Energy: 0.7021940741510598
Energy: 0.6779298533903397
Energy: 0.6773830326902621
Energy: 0.7021054998497609
Energy: 0.6760610350294004
Energy: 0.6204259018633321
Energy: 0.7459171768155989
Energy: 0.6112698598833131
Energy: 0.7030349064057781
Energy: 0.7027542898606017
Energy: 0.7015213600154181
Energy: 0.7460567338362699
Energy: 0.7028044516737998
Energy: 0.7224152358040309
Energy: 0.7027654370710394
Energy: 0.7027011871956051
Energy: 0.7030404860511266
Energy: 0.7068476951767643
Energy: 0.6773417475237026
Energy: 0.7028029417991205
Energy: 0.7222865975215808
Energy: 0.7088131255643911
Energy: 0.7021269893580436
Energy: 0.7037283131767873
Energy: 0.706680258699007
Energy: 0.6780055457420681
Energy: 0.6204350668360732
Energy: 0.7457012311711959
Energy: 0.7014199107676442
Energy: 0.7023876518069299
Energy: 0.7024175301669796
Energy: 0.7047084529420119
Energy: 0.7464942739222392
Energy: 0.7017047616203288
Energy: 0.7503784082421909
Energy: 0.7024677023279586
Energy: 0.6775060920232341
Energy: 0.6775563098097918
Energy: 0.7021716496498452
Energy: 0.6750049853394261
Energy: 0.7030639258172987
Energy: 0.7472747299475846
Energy: 0.7023672249176829
Energy: 0.7015031544802112
Energy: 0.7021358505348492
Energy: 0.7039031567763612
Energy: 0.8307257544811852

minimum gb energy = 0.6111795299781547 eV
minimum distance =  2.45742868977828 Angstroms
sigma value = 23