Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637165796326
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010339173458743108
Energy: 0.011903874832134129
Energy: 0.34896775804997604
Energy: 0.011903874831634412
Energy: 0.011903874832134129
Energy: 0.5764762510164608
Energy: 0.011903874831634412
Energy: 0.5764762510164608
Energy: 0.34896775804947633
Energy: 0.011903874832134129
Energy: 0.010339173458743108
Energy: 0.011903874832134129
Energy: 0.011903874831634412
Energy: 0.5764762510164608
Energy: 0.011903874831634412
Energy: 0.5764762510164608

minimum gb energy = 0.010339173458743108 eV
minimum distance =  2.67397307909705 Angstroms
sigma value = 1


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

Energy: 0.6195213792637766
Energy: 0.5893918724266073
Energy: 0.6806650685166664
Energy: 0.5893918724266073
Energy: 0.6073463995116927
Energy: 0.6154489640392822
Energy: 0.5857099922156057
Energy: 0.6154489640392822
Energy: 0.6022302422511367
Energy: 0.5796255366885489
Energy: 0.6083697278128097
Energy: 0.5796255366885489
Energy: 0.5717642623113875
Energy: 0.6100335914264426
Energy: 0.5877258770976562
Energy: 0.6100335914264426
Energy: 0.5927774036240611
Energy: 0.5936618984052701
Energy: 0.61000615753749
Energy: 0.5936618984046639
Energy: 0.5839884308933022
Energy: 0.6587393076527872
Energy: 0.5770506218146001
Energy: 0.6587393076527872
Energy: 0.5957480449592388
Energy: 0.5829728406253357
Energy: 0.5846732024080123
Energy: 0.5829728406253357
Energy: 0.5563252627954436
Energy: 0.5936985872210793
Energy: 0.5929802380898566
Energy: 0.5936985872210793
Energy: 0.5874049929218025
Energy: 0.7260156345387845
Energy: 0.6428402684351592
Energy: 0.7260156345393906
Energy: 0.5755455424208737
Energy: 0.5788782111504546
Energy: 0.5471040896727842
Energy: 0.5788782111504546
Energy: 0.577611155368232
Energy: 0.603980540363203
Energy: 0.5874171535337934
Energy: 0.603980540363203
Energy: 0.6205455059708467
Energy: 0.593604127642536
Energy: 0.5816455047443788
Energy: 0.5936041276431422
Energy: 0.5841405101882569
Energy: 0.598116299293137
Energy: 0.5943631005584575
Energy: 0.5981162992937431
Energy: 0.670237255461436
Energy: 0.5881861854178145
Energy: 0.5852220667726984
Energy: 0.5881861854172084
Energy: 0.6034947424412326
Energy: 0.5951437514268074
Energy: 0.6267244013069133
Energy: 0.5951437514274135
Energy: 0.6021173829276782
Energy: 0.5896736005444342
Energy: 0.6125713484153457
Energy: 0.5896736005450403
Energy: 0.6083600416869728
Energy: 0.5795094445716538
Energy: 0.5670541963990392
Energy: 0.5795094445716538
Energy: 0.5858055965210339
Energy: 0.59845027153407
Energy: 0.5946294872655771
Energy: 0.598450271534676
Energy: 0.5574555023429019
Energy: 0.5918214192736534
Energy: 0.5819461474030727
Energy: 0.5918214192736534
Energy: 0.6250281526023389
Energy: 0.7259433330634266
Energy: 0.5884027067851298
Energy: 0.7259433330634266
Energy: 0.5789402327939861
Energy: 0.5795007449751132
Energy: 0.5548661334160521
Energy: 0.5795007449751132
Energy: 0.5877156597732384
Energy: 0.661155889907948
Energy: 0.608951911391782
Energy: 0.661155889907948
Energy: 0.6254156602446311
Energy: 0.5938794085359705
Energy: 0.5718798974207678
Energy: 0.5938794085359705
Energy: 0.6101316697326622
Energy: 0.5801149701971244
Energy: 0.5840716414693388
Energy: 0.5801149701965184
Energy: 0.5848321631938836
Energy: 0.6574190875310617
Energy: 0.6175147096427417
Energy: 0.6574190875310617
Energy: 0.594667037775752
Energy: 0.5936544922812098
Energy: 0.5572104351685332
Energy: 0.593654492281816
Energy: 0.5896651810422053
Energy: 0.6818678504573653
Energy: 0.5874463088336644
Energy: 0.6818678504573653
Energy: 0.6019274114008111
Energy: 0.5778443697723167
Energy: 0.6070207817945537
Energy: 0.5778443697723167
Energy: 0.6070731691015728
Energy: 0.6152251370540539
Energy: 0.5819136178614106
Energy: 0.6152251370540539
Energy: 0.6194966239937348
Energy: 0.5899832034267003
Energy: 0.6442985109842544
Energy: 0.5899832034260943
Energy: 0.6087958042157754
Energy: 0.6053559531168273
Energy: 0.5844188041072753
Energy: 0.6053559531168273
Energy: 0.6073608249088139
Energy: 0.582175705170796
Energy: 0.6094232267594493
Energy: 0.582175705170796
Energy: 0.5927333134322813
Energy: 0.601913716217441
Energy: 0.5893218472014188
Energy: 0.601913716217441

minimum gb energy = 0.5471040896727842 eV
minimum distance =  2.53999934251611 Angstroms
sigma value = 1


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

Energy: 0.6487204644616569
Energy: 0.635640155201382
Energy: 0.6670844470304165
Energy: 0.635640155201382
Energy: 0.6206929631341628
Energy: 0.6520630910158847
Energy: 0.6016343007943062
Energy: 0.6520630910158847
Energy: 0.5727924459596702
Energy: 0.6363029573739265
Energy: 0.6417886932693045
Energy: 0.6363029573739265
Energy: 0.6034543680165443
Energy: 0.6301861319578588
Energy: 0.6096050349847338
Energy: 0.6301861319578588
Energy: 0.6028940806608276
Energy: 0.617837258360446
Energy: 0.6472915763043258
Energy: 0.617837258360446
Energy: 0.661735900101895
Energy: 0.61783000236702
Energy: 0.6579634645436627
Energy: 0.61783000236702
Energy: 0.6453974033800866
Energy: 0.6387647751587983
Energy: 0.6146734413723262
Energy: 0.6387647751511973
Energy: 0.5727181730928238
Energy: 0.6362184514826666
Energy: 0.626934096537657
Energy: 0.6362184514826666
Energy: 0.6027047967703705
Energy: 0.7745477943059499
Energy: 0.5876895498959662
Energy: 0.7745477943059499
Energy: 0.6067370790186829
Energy: 0.6381341496085979
Energy: 0.6140405008933817
Energy: 0.6381341496085979
Energy: 0.6604614980515136
Energy: 0.6268588682481172
Energy: 0.6046178990683706
Energy: 0.6268588682481172
Energy: 0.5878945114360876
Energy: 0.6264022344163988
Energy: 0.6420041773381054
Energy: 0.6264022344163988
Energy: 0.6129885908112341
Energy: 0.6151540098075503
Energy: 0.6086201781531781
Energy: 0.6151540098075503
Energy: 0.6130315512556451
Energy: 0.6152550436191967
Energy: 0.6181411145967389
Energy: 0.6152550436185057
Energy: 0.587763091691598
Energy: 0.6263988652549435
Energy: 0.6238159137221139
Energy: 0.6263988652549435
Energy: 0.6606066084558192
Energy: 0.6268866866369344
Energy: 0.608602312274727
Energy: 0.6268866866369344
Energy: 0.6069602562688846
Energy: 0.6381251580079207
Energy: 0.5872697264395726
Energy: 0.6381251580079207
Energy: 0.6028125074075092
Energy: 0.7745116379925262
Energy: 0.5875377720147339
Energy: 0.7745116379925262
Energy: 0.572792037157209
Energy: 0.6360635904844923
Energy: 0.6095042947447167
Energy: 0.6360635904844923
Energy: 0.6452703825144892
Energy: 0.639717292064138
Energy: 0.6095425017702759
Energy: 0.6397172920634471
Energy: 0.6616288213293177
Energy: 0.6177353904252235
Energy: 0.6000659080684013
Energy: 0.6177353904252235
Energy: 0.6028878583169224
Energy: 0.6178226187330889
Energy: 0.6190517883890367
Energy: 0.6178226187330889
Energy: 0.6031034643700945
Energy: 0.6301582912022808
Energy: 0.6089503798997612
Energy: 0.6301582912022808
Energy: 0.5727345230265515
Energy: 0.6379809370470829
Energy: 0.6239733350880071
Energy: 0.6379809370470829
Energy: 0.620809722563575
Energy: 0.6522248720478464
Energy: 0.6085309703543438
Energy: 0.6522248720471555
Energy: 0.6487204644595839
Energy: 0.635640155201382
Energy: 0.6737522730978175
Energy: 0.635640155201382
Energy: 0.6206929631341628
Energy: 0.6520630910158847
Energy: 0.6016343007943062
Energy: 0.6520630910158847
Energy: 0.5727924459603612
Energy: 0.6363029573739265
Energy: 0.6262855839648471
Energy: 0.6363029573739265
Energy: 0.6034543680165443
Energy: 0.6301861319578588
Energy: 0.603845372124459
Energy: 0.6301861319585498

minimum gb energy = 0.5727181730928238 eV
minimum distance =  2.41678973687033 Angstroms
sigma value = 25


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

Energy: 0.6592902402646228
Energy: 0.6593834760776992
Energy: 0.7341165889900901
Energy: 0.6593834760776992
Energy: 0.6342044549572986
Energy: 0.6629152119758854
Energy: 0.6841991996866538
Energy: 0.6629152119758854
Energy: 0.6010137762715669
Energy: 0.6894115813719894
Energy: 0.6671409285899744
Energy: 0.6894115813719894
Energy: 0.6373349283780431
Energy: 0.6747281253968371
Energy: 0.6334639597108349
Energy: 0.6747281253968371
Energy: 0.6245619331466638
Energy: 0.6608175562557497
Energy: 0.69903279800025
Energy: 0.6608175562557497
Energy: 0.7041158650151343
Energy: 0.6904107419211066
Energy: 0.6982407448454856
Energy: 0.6904107419211066
Energy: 0.6951134154278528
Energy: 0.6716601466573487
Energy: 0.6497037381087684
Energy: 0.6716601466573487
Energy: 0.7630985027291829
Energy: 0.6609605686067158
Energy: 0.6193951180941498
Energy: 0.6609605686067158
Energy: 0.6498023997322165
Energy: 0.6492284407292936
Energy: 0.7335549153920404
Energy: 0.6492284407292936
Energy: 0.6455979273491497
Energy: 0.6907050718617838
Energy: 0.619685697406199
Energy: 0.6907050718617838
Energy: 0.6216439500255431
Energy: 0.6587767526488961
Energy: 0.6237131342384542
Energy: 0.6587767526488961
Energy: 0.6191922410865683
Energy: 0.6592990046030512
Energy: 0.6361359077558632
Energy: 0.6592990046038545
Energy: 0.6671598721736318
Energy: 0.6767766484246419
Energy: 0.6188608180625311
Energy: 0.6767766484246419
Energy: 0.6500675747001968
Energy: 0.6654139054884465
Energy: 0.634270848216815
Energy: 0.6654139054884465
Energy: 0.6241391032029536
Energy: 0.6616572311579798
Energy: 0.6091891921849777
Energy: 0.6616572311579798
Energy: 0.6243644565257751
Energy: 0.737165513646323
Energy: 0.6350084784070021
Energy: 0.7371655136455196
Energy: 0.6146479376666224
Energy: 0.689424307856365
Energy: 0.6007716389257883
Energy: 0.689424307856365
Energy: 0.6332043827265753
Energy: 0.6557720772494502
Energy: 0.6911276541132637
Energy: 0.655772077248647
Energy: 0.620598426599154
Energy: 0.6753137644215436
Energy: 0.6245449033964477
Energy: 0.6753137644215436
Energy: 0.6976957227199337
Energy: 0.6906648977552219
Energy: 0.6375180205660225
Energy: 0.6906648977552219
Energy: 0.6422348671975382
Energy: 0.6545125042200111
Energy: 0.636768103946113
Energy: 0.6545125042200111
Energy: 0.6600887039438411
Energy: 0.6605316303214052
Energy: 0.7017696038210378
Energy: 0.6605316303214052
Energy: 0.6329573923722485
Energy: 0.6566510330742538
Energy: 0.6839912433675868
Energy: 0.6566510330734505
Energy: 0.6008513596280657
Energy: 0.6886242959157732
Energy: 0.6456043847782948
Energy: 0.6886242959157732
Energy: 0.7220440002625054
Energy: 0.6749241052193101
Energy: 0.6331276622596554
Energy: 0.6749241052201134

minimum gb energy = 0.6007716389257883 eV
minimum distance =  2.43433077351897 Angstroms
sigma value = 9


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

Energy: 0.6629563042263574
Energy: 0.7161536037061396
Energy: 0.7895259552764425
Energy: 0.7161536037061396
Energy: 0.6678451130980126
Energy: 0.6839076856869337
Energy: 0.6450834986147045
Energy: 0.6839076856859755
Energy: 0.670575184908289
Energy: 0.7177038005781271
Energy: 0.6446503866449496
Energy: 0.7177038005781271
Energy: 0.8018980747309932
Energy: 0.7358054481782178
Energy: 0.6571505220393938
Energy: 0.7358054481782178
Energy: 0.7412146800887505
Energy: 0.6834836963291088
Energy: 0.7588107440226286
Energy: 0.6834836963291088
Energy: 0.6274040049366955
Energy: 0.715257175467668
Energy: 0.6895467285389201
Energy: 0.715257175467668
Energy: 0.8292766255590669
Energy: 0.6777370040952421
Energy: 0.6670161317109358
Energy: 0.6777370040952421
Energy: 0.7252736537117662
Energy: 0.7151232018341256
Energy: 0.6419560769191309
Energy: 0.7151232018341256
Energy: 0.6440883882092272
Energy: 0.6837912937557117
Energy: 0.7009189285503167
Energy: 0.6837912937557117
Energy: 0.6948726382755991
Energy: 0.714282023130097
Energy: 0.6537157137595534
Energy: 0.714282023130097
Energy: 0.6362579071594783
Energy: 0.7002661834022575
Energy: 0.657138427118249
Energy: 0.7002661834022575
Energy: 0.7632863266081293
Energy: 0.7140947204917651
Energy: 0.6573231604233476
Energy: 0.7140947204917651
Energy: 0.627400523118046
Energy: 0.7173636593859679
Energy: 0.6543747580145766
Energy: 0.7173636593859679
Energy: 0.6975901028750717
Energy: 0.6486415529784503
Energy: 0.7572280480521079
Energy: 0.6486415529784503
Energy: 0.627411783970661
Energy: 0.7173727737539438
Energy: 0.6838642542676429
Energy: 0.7173727737539438
Energy: 0.7632406923240616
Energy: 0.7140748682295018
Energy: 0.6572612091699187
Energy: 0.7140748682295018
Energy: 0.6363635117038303
Energy: 0.7002646649911282
Energy: 0.6405304481884331
Energy: 0.7002646649911282
Energy: 0.6948972560878358
Energy: 0.7142438026376161
Energy: 0.6536174496088526
Energy: 0.7142438026376161
Energy: 0.6451225240503534
Energy: 0.6838161716568586
Energy: 0.7041232117656709
Energy: 0.6838161716568586
Energy: 0.7253779406705693
Energy: 0.7150954896421765
Energy: 0.6420537030416563
Energy: 0.7150954896421765
Energy: 0.8293013975097884
Energy: 0.6777087529263802
Energy: 0.6671183158454839
Energy: 0.6777087529263802

minimum gb energy = 0.627400523118046 eV
minimum distance =  2.50912231173211 Angstroms
sigma value = 25


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

Energy: 0.6806662496782971
Energy: 0.7303260568230145
Energy: 0.8706192317062836
Energy: 0.7303260568230145
Energy: 0.6697274075258494
Energy: 0.7435704209562961
Energy: 0.6599651870362241
Energy: 0.7435704209562961
Energy: 0.7686575574676454
Energy: 0.7586252051312907
Energy: 0.6605196391385981
Energy: 0.7586252051312907
Energy: 0.7964269462353917
Energy: 0.7312316254409436
Energy: 0.7708139666741193
Energy: 0.7312316254409436
Energy: 0.7717037338287243
Energy: 0.7010675205351646
Energy: 0.6598724578286541
Energy: 0.7010675205339796
Energy: 0.6596116113731805
Energy: 0.7616759952274941
Energy: 0.7821852583720759
Energy: 0.7616759952274941
Energy: 0.6594353237519448
Energy: 0.7002012410844307
Energy: 0.6707964222208597
Energy: 0.7002012410844307
Energy: 0.769259082974381
Energy: 0.7320661345454671
Energy: 0.6726044074656686
Energy: 0.7320661345454671
Energy: 0.6612559973616297
Energy: 0.7009072584694972
Energy: 0.6600613678945864
Energy: 0.7009072584694972
Energy: 0.78621466366254
Energy: 0.7233571951829308
Energy: 0.7706611014168774
Energy: 0.7233571951841159
Energy: 0.6812179817089118
Energy: 0.7301126510717221
Energy: 0.8695489774597931
Energy: 0.7301126510717221
Energy: 0.6603540474359947
Energy: 0.6734526850796253
Energy: 0.787681802098864
Energy: 0.6734526850808105
Energy: 0.7720029478022068
Energy: 0.758709608991964
Energy: 0.6456881889499333
Energy: 0.758709608991964
Energy: 0.6734097177290885
Energy: 0.7297607638851202
Energy: 0.6724648565302143
Energy: 0.7297607638839352
Energy: 0.6703572285821379
Energy: 0.7298695924363112
Energy: 0.7713373803246225
Energy: 0.7298695924351262
Energy: 0.6618556846967443
Energy: 0.7237122426394281
Energy: 0.6598000960437593
Energy: 0.7237122426406132
Energy: 0.6615034942649772
Energy: 0.7335186458688563
Energy: 0.787131339902287
Energy: 0.7335186458676711

minimum gb energy = 0.6456881889499333 eV
minimum distance =  2.54195071239595 Angstroms
sigma value = 17


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

Energy: 0.717532588031091
Energy: 0.7213654019050969
Energy: 0.9042620382340757
Energy: 0.7213654019050969
Energy: 0.7511167242968841
Energy: 0.7075532989209795
Energy: 0.6563565233720213
Energy: 0.7075532989216506
Energy: 0.8115767944253809
Energy: 0.7098668282330817
Energy: 0.6600737364326807
Energy: 0.7098668282330817
Energy: 0.6978390049947488
Energy: 0.7193983459588503
Energy: 0.7055724737449359
Energy: 0.719398345958179
Energy: 0.806600440647538
Energy: 0.7186838129734744
Energy: 0.7669264866869464
Energy: 0.7186838129734744
Energy: 0.6635994195316954
Energy: 0.7389587737781288
Energy: 0.7553989196921836
Energy: 0.7389587737781288
Energy: 0.6940195095966412
Energy: 0.6991353348343918
Energy: 0.6761457613381505
Energy: 0.699135334835063
Energy: 0.7763850209447605
Energy: 0.7506695143399456
Energy: 0.6645032013384162
Energy: 0.7506695143406167
Energy: 0.7013712021148134
Energy: 0.7151781628405702
Energy: 0.7572095431719319
Energy: 0.7151781628405702
Energy: 0.8571119470114424
Energy: 0.7060894845801237
Energy: 0.6582395318241275
Energy: 0.7060894845801237
Energy: 0.6564717300885479
Energy: 0.7163415948571528
Energy: 0.8575684651470631
Energy: 0.7163415948571528
Energy: 0.6646064089602526
Energy: 0.6986226193890024
Energy: 0.6796730962327712
Energy: 0.6986226193890024
Energy: 0.8207214902568417
Energy: 0.7158765094914921
Energy: 0.7326587226092545
Energy: 0.7158765094914921
Energy: 0.6586973908489647
Energy: 0.7461698647552915
Energy: 0.7496059665555167
Energy: 0.7461698647546203
Energy: 0.7110565581214333
Energy: 0.7255018680328706
Energy: 0.7159454938647526
Energy: 0.7255018680328706
Energy: 0.7461339592302965
Energy: 0.7499370341206956
Energy: 0.7491124118488232
Energy: 0.7499370341206956
Energy: 0.6767222806520561
Energy: 0.7129700549856876
Energy: 0.8112118919123658
Energy: 0.7129700549856876
Energy: 0.7360002490220758
Energy: 0.7102505115709659
Energy: 0.6635458067069864
Energy: 0.7102505115709659
Energy: 0.6967041787229533
Energy: 0.7160408649292054
Energy: 0.7092355518345821
Energy: 0.7160408649292054
Energy: 0.6767062759756926
Energy: 0.7392844973707818
Energy: 0.7533951782094188
Energy: 0.7392844973707818
Energy: 0.7034475046459548
Energy: 0.7098057534674074
Energy: 0.776596611600107
Energy: 0.7098057534674074
Energy: 0.6766132224519271
Energy: 0.733200258021861
Energy: 0.8591094402649644
Energy: 0.733200258021861
Energy: 0.7804525766424555
Energy: 0.7208523498638277
Energy: 0.6594802150355779
Energy: 0.7208523498638277
Energy: 0.69768295609319
Energy: 0.7238264154784819
Energy: 0.7457802029571154
Energy: 0.7238264154791532
Energy: 0.6994148884916183
Energy: 0.7399641505242982
Energy: 0.7470687137086749
Energy: 0.7399641505242982
Energy: 0.752295612986276
Energy: 0.718351394047786
Energy: 0.6556863968131801
Energy: 0.718351394047786
Energy: 0.666992634366026
Energy: 0.764306301610009
Energy: 0.8720966570191961
Energy: 0.764306301610009
Energy: 0.7353122739259471
Energy: 0.7373816570979519
Energy: 0.7772661851697089
Energy: 0.7373816570979519
Energy: 0.7765658899143344
Energy: 0.7397736103189597
Energy: 0.7048984851112801
Energy: 0.7397736103182886
Energy: 0.6643398471615536
Energy: 0.7153165745582436
Energy: 0.7507163259485212
Energy: 0.7153165745582436

minimum gb energy = 0.6556863968131801 eV
minimum distance =  2.42270911981111 Angstroms
sigma value = 53


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

Energy: 0.5953986022702376
Energy: 0.5956977083295526
Energy: 0.9255606923277732
Energy: 0.5956977083295526
Energy: 0.7584822233979622
Energy: 0.6579771762879109
Energy: 0.6972490378277144
Energy: 0.6579771762879109
Energy: 0.759686360586359
Energy: 0.5962795621524283
Energy: 0.7402201514979825
Energy: 0.5962795621524283
Energy: 0.759982225531866
Energy: 0.596381467455362
Energy: 0.6927746004580994
Energy: 0.596381467455362
Energy: 0.7584760019477516
Energy: 0.6579535773898073
Energy: 0.6499173187089831
Energy: 0.6579535773898073
Energy: 0.5953986022686925
Energy: 0.5956977083295526
Energy: 0.8451659637859704
Energy: 0.5956977083295526
Energy: 0.758482236749654
Energy: 0.6579771762879109
Energy: 0.6972490378261693
Energy: 0.6579771762879109
Energy: 0.759510159170597
Energy: 0.5962795621524283
Energy: 0.7402201515242498
Energy: 0.5962795621524283
Energy: 0.7600714779922626
Energy: 0.596381467455362
Energy: 0.6972628375168473
Energy: 0.596381467455362
Energy: 0.7584760741194944
Energy: 0.6579535773898073
Energy: 0.7300282997302631
Energy: 0.6579535773898073
Energy: 0.5953986022702376
Energy: 0.5956977083295526
Energy: 0.8449199028568497
Energy: 0.5956977083295526
Energy: 0.7584821429696202
Energy: 0.6579771762879109
Energy: 0.6973223575848866
Energy: 0.6579771762879109
Energy: 0.7596881162672366
Energy: 0.5962795621524283
Energy: 0.7402201515319754
Energy: 0.5962795621524283

minimum gb energy = 0.5953986022686925 eV
minimum distance =  2.53304744537095 Angstroms
sigma value = 9


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

Energy: 0.6699978858497956
Energy: 0.7186517947163835
Energy: 0.8766645695301328
Energy: 0.7186517947163835
Energy: 0.8014880814241007
Energy: 0.6989783018112334
Energy: 0.6884863668693566
Energy: 0.6989783018106616
Energy: 0.7409053730152917
Energy: 0.7087368866064293
Energy: 0.7020718622312742
Energy: 0.7087368866058575
Energy: 0.796562171876423
Energy: 0.7163903354581908
Energy: 0.7015212360874437
Energy: 0.7163903354581908
Energy: 0.8313873239955568
Energy: 0.7070366956208005
Energy: 0.701977876762178
Energy: 0.7070366956208005
Energy: 0.6629625324634383
Energy: 0.6934873518883041
Energy: 0.8143380561061548
Energy: 0.693487351888876
Energy: 0.8723470560983381
Energy: 0.7023935249362618
Energy: 0.6972683679325649
Energy: 0.7023935249368338
Energy: 0.6915400129127334
Energy: 0.7267531364548384
Energy: 0.7290027173075359
Energy: 0.7267531364548384
Energy: 0.7554655764367374
Energy: 0.7374354325788572
Energy: 0.6745636798052004
Energy: 0.7374354325794291
Energy: 0.7405863135456442
Energy: 0.6985044506929611
Energy: 0.6761046246050342
Energy: 0.6985044506929611
Energy: 0.68946381734705
Energy: 0.7188958520447435
Energy: 0.8485920021510808
Energy: 0.7188958520441716
Energy: 0.7803541637212459
Energy: 0.7617677213253036
Energy: 0.6970783041364004
Energy: 0.7617677213253036
Energy: 0.6867929125438248
Energy: 0.701517137907174
Energy: 0.7929926579112265
Energy: 0.7015171379077458
Energy: 0.7872022708442075
Energy: 0.7266979552045819
Energy: 0.6878556962821705
Energy: 0.7266979552051538
Energy: 0.6972336981704346
Energy: 0.7180415392690196
Energy: 0.7227715230074063
Energy: 0.7180415392690196
Energy: 0.6873246498017979
Energy: 0.7482700738700979
Energy: 0.7268547447855236
Energy: 0.7482700738706698
Energy: 0.7144806794649681
Energy: 0.718160175028985
Energy: 0.6980691962375978
Energy: 0.718160175028985
Energy: 0.6996460828348505
Energy: 0.7018868512214824
Energy: 0.8521532591757079
Energy: 0.7018868512214824
Energy: 0.8418752706744792
Energy: 0.7143266890300557
Energy: 0.6706158444834146
Energy: 0.7143266890300557
Energy: 0.6872180721067973
Energy: 0.7066184420192666
Energy: 0.7667698927486583
Energy: 0.7066184420192666
Energy: 0.7534260756079677
Energy: 0.725844532998063
Energy: 0.7525251814509976
Energy: 0.7258445329974911
Energy: 0.7216255714561459
Energy: 0.7229319141264692
Energy: 0.6740552232180789
Energy: 0.722931914127041
Energy: 0.6822427860522455
Energy: 0.7150361503236933
Energy: 0.7552730764159196
Energy: 0.7150361503236933
Energy: 0.8200465898228657
Energy: 0.7291286642396294
Energy: 0.6892749778179638
Energy: 0.7291286642396294
Energy: 0.6899239645382266
Energy: 0.7652941057081627
Energy: 0.8460874401701634
Energy: 0.7652941057081627
Energy: 0.7083500177385632
Energy: 0.6939754216097119
Energy: 0.68654325049132
Energy: 0.6939754216097119
Energy: 0.7161452102361057
Energy: 0.7094744518665382
Energy: 0.7558898836520292
Energy: 0.7094744518665382
Energy: 0.6915650089055446
Energy: 0.7310736051120446
Energy: 0.7450614628691165
Energy: 0.7310736051120446
Energy: 0.7116827021294478
Energy: 0.6938138171331444
Energy: 0.673401623909587
Energy: 0.6938138171337163
Energy: 0.6888498177256928
Energy: 0.7641501970594414
Energy: 0.8290037758999541
Energy: 0.7641501970594414
Energy: 0.8164846827510139
Energy: 0.726490719394645
Energy: 0.7037448200794454
Energy: 0.7264907193952169
Energy: 0.6846768792991156
Energy: 0.7031048478575977
Energy: 0.7542026458106805
Energy: 0.7031048478575977
Energy: 0.684865239236731
Energy: 0.7145668794214948
Energy: 0.7407262961710612
Energy: 0.7145668794214948
Energy: 0.7549862990814413
Energy: 0.7327328361675673
Energy: 0.7533893223025248
Energy: 0.7327328361675673
Energy: 0.7043465175109003
Energy: 0.743645742650169
Energy: 0.8676002777135399
Energy: 0.7436457426495972

minimum gb energy = 0.6629625324634383 eV
minimum distance =  2.47260661543261 Angstroms
sigma value = 73


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

Energy: 0.6652546584843015
Energy: 0.7084596767851902
Energy: 0.8244845380011425
Energy: 0.7084596767851902
Energy: 0.7514550504642156
Energy: 0.7098526133041371
Energy: 0.7017022106826267
Energy: 0.7098526133050445
Energy: 0.6898493321160475
Energy: 0.6927984117640961
Energy: 0.7017723901781223
Energy: 0.6927984117640961
Energy: 0.7042923252725458
Energy: 0.7128102728846566
Energy: 0.7071895610840963
Energy: 0.7128102728846566
Energy: 0.6826790159012007
Energy: 0.7100451680141858
Energy: 0.6802994350781468
Energy: 0.7100451680141858
Energy: 0.7098908189776655
Energy: 0.719666641726028
Energy: 0.830485093433652
Energy: 0.719666641726028
Energy: 0.8595331411278928
Energy: 0.6935176434177165
Energy: 0.7020613386129771
Energy: 0.6935176434177165
Energy: 0.6842068860401093
Energy: 0.687185229146468
Energy: 0.7931793998695792
Energy: 0.687185229146468
Energy: 0.8506616883773571
Energy: 0.7015030466596274
Energy: 0.6771285065107978
Energy: 0.7015030466596274
Energy: 0.7098561429823446
Energy: 0.6961467874070085
Energy: 0.6896624991227807
Energy: 0.6961467874070085
Energy: 0.7029187451065172
Energy: 0.7295813690607625
Energy: 0.8488448026765318
Energy: 0.7295813690607625
Energy: 0.7611903492524669
Energy: 0.7124358269543153
Energy: 0.6840451794548612
Energy: 0.7124358269543153
Energy: 0.7086279685001148
Energy: 0.7004864429847865
Energy: 0.901093672921615
Energy: 0.7004864429847865
Energy: 0.8091734025761975
Energy: 0.7013914543463333
Energy: 0.7099209173965666
Energy: 0.7013914543463333
Energy: 0.670548209384412
Energy: 0.7191278234548801
Energy: 0.7593834613206081
Energy: 0.7191278234548801
Energy: 0.7671430954962408
Energy: 0.7278182637111509
Energy: 0.7023911034780966
Energy: 0.7278182637111509
Energy: 0.6757102438712268
Energy: 0.6927996896309278
Energy: 0.6901196013660617
Energy: 0.6927996896309278
Energy: 0.6756831041382603
Energy: 0.6926205383520976
Energy: 0.6887774040899742
Energy: 0.6926205383520976
Energy: 0.7008208303945935
Energy: 0.7019670074539212
Energy: 0.682851758306189
Energy: 0.7019670074539212
Energy: 0.7018191840934915
Energy: 0.7199128704647655
Energy: 0.8584723527339143
Energy: 0.7199128704638582
Energy: 0.8109519447278247
Energy: 0.6929356176549217
Energy: 0.7319413692695911
Energy: 0.6929356176549217
Energy: 0.707044998010052
Energy: 0.701488199654156
Energy: 0.900762968408987
Energy: 0.701488199654156

minimum gb energy = 0.6652546584843015 eV
minimum distance =  2.45826082248221 Angstroms
sigma value = 7


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

Energy: 0.6834918487188852
Energy: 0.7182422013714085
Energy: 0.8122881673481274
Energy: 0.7182422013707669
Energy: 0.7843842837492274
Energy: 0.6972252843678964
Energy: 0.7285674647915646
Energy: 0.6972252843678964
Energy: 0.7066572030503879
Energy: 0.7056252900194058
Energy: 0.7141390663761005
Energy: 0.7056252900200474
Energy: 0.8327996846466091
Energy: 0.7081800375237264
Energy: 0.7029603846515186
Energy: 0.7081800375237264
Energy: 0.7061265582142078
Energy: 0.7020113906925355
Energy: 0.7157810659363916
Energy: 0.7020113906925355
Energy: 0.6996473593159102
Energy: 0.7066671059076018
Energy: 0.8247960976496672
Energy: 0.7066671059069602
Energy: 0.7881337165620237
Energy: 0.7738752847953662
Energy: 0.7350843550964036
Energy: 0.7738752847953662
Energy: 0.6983634887042037
Energy: 0.7151150429661076
Energy: 0.8433643168364628
Energy: 0.7151150429661076
Energy: 0.8704503184114261
Energy: 0.7036690656271212
Energy: 0.7027101671077937
Energy: 0.7036690656271212
Energy: 0.7042238600883346
Energy: 0.7161856525628799
Energy: 0.7778579448160896
Energy: 0.7161856525628799
Energy: 0.7212804667053271
Energy: 0.7225659263222264
Energy: 0.7231010037550056
Energy: 0.7225659263222264
Energy: 0.6998552658594761
Energy: 0.7051912468439242
Energy: 0.7100465798665254
Energy: 0.7051912468439242
Energy: 0.6940650354693632
Energy: 0.7003624842505466
Energy: 0.8328402999876297
Energy: 0.7003624842505466
Energy: 0.71052314276434
Energy: 0.7025270808832204
Energy: 0.739916402952356
Energy: 0.7025270808832204
Energy: 0.7040567114943018
Energy: 0.7057392863436005
Energy: 0.7920990793447207
Energy: 0.7057392863436005
Energy: 0.8035405751116316
Energy: 0.7027426807873447
Energy: 0.6836006930948602
Energy: 0.7027426807873447
Energy: 0.6983690832731583
Energy: 0.6986211985757272
Energy: 0.8499426772202175
Energy: 0.6986211985757272
Energy: 0.7073446505218176
Energy: 0.7704205245930796
Energy: 0.7318725419190926
Energy: 0.7704205245930796
Energy: 0.6985213634823162
Energy: 0.6971618748102216
Energy: 0.8313926944259291
Energy: 0.6971618748102216
Energy: 0.7015276055236634
Energy: 0.70456400748721
Energy: 0.7208262208422295
Energy: 0.70456400748721
Energy: 0.8430581365866755
Energy: 0.6969903123914397
Energy: 0.7028334336983425
Energy: 0.6969903123907981
Energy: 0.7243718901509251
Energy: 0.7209872818807075
Energy: 0.7555581565394798
Energy: 0.7209872818807075
Energy: 0.8077376671537212
Energy: 0.7091244190534908
Energy: 0.7260982881750909
Energy: 0.7091244190534908
Energy: 0.6892188459041336
Energy: 0.7189440395114276
Energy: 0.8122415787841805
Energy: 0.7189440395114276
Energy: 0.7484045532423856
Energy: 0.7020865089486983
Energy: 0.7174191138431624
Energy: 0.7020865089486983
Energy: 0.7228331159566059
Energy: 0.7326490664940101
Energy: 0.7098817313210007
Energy: 0.7326490664933685
Energy: 0.7060655090412815
Energy: 0.7153576477496492
Energy: 0.7702436408397391
Energy: 0.7153576477496492
Energy: 0.7284006899488178
Energy: 0.7004187619680787
Energy: 0.7029631653963307
Energy: 0.7004187619674372
Energy: 0.6779308872708009
Energy: 0.7114948055747525
Energy: 0.8033067418009684
Energy: 0.7114948055747525
Energy: 0.7466147339659259
Energy: 0.7010980420943521
Energy: 0.7283537629738982
Energy: 0.7010980420943521
Energy: 0.6779321387837627
Energy: 0.7114158845396824
Energy: 0.7636466123209813
Energy: 0.7114158845390407

minimum gb energy = 0.6779308872708009 eV
minimum distance =  2.45510580522322 Angstroms
sigma value = 29


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

Energy: 0.6539329773042941
Energy: 0.6379632389752373
Energy: 0.6956976289643658
Energy: 0.6379632389754359
Energy: 0.6783203812468395
Energy: 0.6690864212727168
Energy: 0.6732081590790386
Energy: 0.6690864212725179
Energy: 0.6876486995650165
Energy: 0.6559039431687705
Energy: 0.650042458158299
Energy: 0.6559039431687705
Energy: 0.6535112046950367
Energy: 0.6337690306416477
Energy: 0.673595305254931
Energy: 0.6337690304608026
Energy: 0.6541503429711875
Energy: 0.6375501569922788
Energy: 0.6814381541516877
Energy: 0.6375501569922788
Energy: 0.6780137124505075
Energy: 0.6618016487337044
Energy: 0.6780071255306414
Energy: 0.6618016487337044
Energy: 0.6884753677907848
Energy: 0.6375310164935021
Energy: 0.6541571391972109
Energy: 0.6375310164932786
Energy: 0.6737269636680304
Energy: 0.6337853370151397
Energy: 0.6535364744761029
Energy: 0.6337853369987512
Energy: 0.6501326874785598
Energy: 0.6553720943135435
Energy: 0.6814063609312866
Energy: 0.6553720943135435

minimum gb energy = 0.6337690304608026 eV
minimum distance =  2.52186993994052 Angstroms
sigma value = 5


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

Energy: 0.6473488768936719
Energy: 0.6725861910274147
Energy: 0.7864582868493
Energy: 0.6725861910274147
Energy: 0.6443652334613872
Energy: 0.7027761048808808
Energy: 0.6286787271339408
Energy: 0.7027761048808808
Energy: 0.6248511555295896
Energy: 0.715643551714901
Energy: 0.7421598461500047
Energy: 0.715643551714901
Energy: 0.7234866638672172
Energy: 0.6788920676664835
Energy: 0.6431108776502115
Energy: 0.6788920676658774
Energy: 0.6294386662528866
Energy: 0.6989981607405684
Energy: 0.7324310552232237
Energy: 0.6989981607405684
Energy: 0.6773838982336554
Energy: 0.6940214464587171
Energy: 0.6357228404665586
Energy: 0.6940214464587171
Energy: 0.630806477202202
Energy: 0.6659649496161452
Energy: 0.6274900829313772
Energy: 0.6659649496155392
Energy: 0.6295264003535714
Energy: 0.6871071780780545
Energy: 0.74679188843133
Energy: 0.6871071780786607
Energy: 0.6361010208367878
Energy: 0.7297252713472092
Energy: 0.6318615861084809
Energy: 0.7297252713472092
Energy: 0.6357311035376935
Energy: 0.6958033168749495
Energy: 0.6476221545676671
Energy: 0.6958033168743434
Energy: 0.6328560448324145
Energy: 0.6968641436770313
Energy: 0.6273311938607247
Energy: 0.6968641436770313
Energy: 0.6249815497329433
Energy: 0.7096007736128775
Energy: 0.7116437329183279
Energy: 0.7096007736128775
Energy: 0.7782286566220007
Energy: 0.6412800602484319
Energy: 0.6439630309740665
Energy: 0.6412800602484319
Energy: 0.6298313792329481
Energy: 0.6428017862441269
Energy: 0.708138190976921
Energy: 0.6428017862435207
Energy: 0.7627059984197979
Energy: 0.718434704404042
Energy: 0.6277533834353258
Energy: 0.718434704404042
Energy: 0.6351066217264345
Energy: 0.7336427712689113
Energy: 0.7777910343190166
Energy: 0.7336427712695175
Energy: 0.6545045221469075
Energy: 0.6846254702633122
Energy: 0.6315878318776534
Energy: 0.6846254702633122
Energy: 0.6324131669182576
Energy: 0.6936851004437514
Energy: 0.7818849188490278
Energy: 0.6936851004437514
Energy: 0.6373501120891681
Energy: 0.6661542437454528
Energy: 0.627457309874169
Energy: 0.6661542437448469
Energy: 0.6238506451100002
Energy: 0.6727411073816741
Energy: 0.6371325789358567
Energy: 0.6727411073816741
Energy: 0.6844610814718755
Energy: 0.722881713087496
Energy: 0.6349569507731333
Energy: 0.722881713087496
Energy: 0.6358567641331239
Energy: 0.6612877694578517
Energy: 0.6361010722281036
Energy: 0.6612877694578517
Energy: 0.621436825426968
Energy: 0.69566852261623
Energy: 0.6211982608861634
Energy: 0.69566852261623
Energy: 0.6945231849009156
Energy: 0.6914085169170795
Energy: 0.6238814967470891
Energy: 0.6914085169170795
Energy: 0.6982839107460932
Energy: 0.6954123569221893
Energy: 0.6281688525031567
Energy: 0.6954123569221893
Energy: 0.6430334158017482
Energy: 0.6940288473779471
Energy: 0.6296215140337904
Energy: 0.6940288473779471
Energy: 0.6288954810261614
Energy: 0.6746685204430981
Energy: 0.70764140692698
Energy: 0.6746685204430981
Energy: 0.7084482376374549
Energy: 0.7545452229589052
Energy: 0.6338611376228921
Energy: 0.7545452229589052
Energy: 0.6258734690690386
Energy: 0.7227762555579889
Energy: 0.6622021382341738
Energy: 0.7227762555579889
Energy: 0.8380203703694968
Energy: 0.64083625773912
Energy: 0.6346460791499723
Energy: 0.640836257738514
Energy: 0.6309330913350075
Energy: 0.6374007272390095
Energy: 0.7690850161114714
Energy: 0.6374007272390095
Energy: 0.7049965116525642
Energy: 0.7219352686118541
Energy: 0.6247467842976336
Energy: 0.7219352686118541
Energy: 0.6375116953217629
Energy: 0.7229405858024084
Energy: 0.707282107424663
Energy: 0.7229405858024084

minimum gb energy = 0.6211982608861634 eV
minimum distance =  2.44810383591979 Angstroms
sigma value = 1


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

Energy: 0.6103825523145429
Energy: 0.6108120721229191
Energy: 0.7013052560165018
Energy: 0.6108120721229191
Energy: 0.7219049070821024
Energy: 0.7120278210995584
Energy: 0.6058380239050382
Energy: 0.7120278211003773
Energy: 0.591633012348003
Energy: 0.6108391591453568
Energy: 0.7690478716824023
Energy: 0.6108391591461947
Energy: 0.6912428581927724
Energy: 0.655607750768156
Energy: 0.5976282347649193
Energy: 0.6556077507648043
Energy: 0.5918988081163836
Energy: 0.6734288480058638
Energy: 0.6675989642531035
Energy: 0.6734288480058638
Energy: 0.7599563859643844
Energy: 0.7091396507871142
Energy: 0.5990260806555955
Energy: 0.7091396507871142
Energy: 0.5902173058536269
Energy: 0.6503315276694833
Energy: 0.6392098248942841
Energy: 0.6503315276694833
Energy: 0.5898995326310315
Energy: 0.6762314039924973
Energy: 0.6397447447930575
Energy: 0.6762314039924973
Energy: 0.6104367299359396
Energy: 0.6124327019073388
Energy: 0.6160873643657135
Energy: 0.6124327019081767
Energy: 0.610381869276698
Energy: 0.6124053149058801
Energy: 0.6407609125985172
Energy: 0.6124053149050421
Energy: 0.5900641454412997
Energy: 0.6762355627890932
Energy: 0.6050618165137234
Energy: 0.6762355627890932
Energy: 0.5901721602720627
Energy: 0.6505421662689015
Energy: 0.6390175181908558
Energy: 0.6505421662689015
Energy: 0.7603521652108242
Energy: 0.7091048436963102
Energy: 0.5991978010726375
Energy: 0.7091048436963102
Energy: 0.5920122136055084
Energy: 0.6733343513052299
Energy: 0.6802538284724163
Energy: 0.6733343513052299
Energy: 0.6911604828639535
Energy: 0.6557207306278989
Energy: 0.5976174452799992
Energy: 0.6557207306278989
Energy: 0.5916222336177475
Energy: 0.611008351272314
Energy: 0.619378991635096
Energy: 0.611008351272314
Energy: 0.7215759221960697
Energy: 0.7119889380901268
Energy: 0.6058550500394962
Energy: 0.7119889380892889
Energy: 0.6103825523145429
Energy: 0.610812072123757
Energy: 0.8297755611827499
Energy: 0.6108120721229191
Energy: 0.721818325579193
Energy: 0.7120278210995584
Energy: 0.6058380239050382
Energy: 0.7120278211003773
Energy: 0.591633012348003
Energy: 0.6108391591461947
Energy: 0.7690478716832402
Energy: 0.6108391591461947
Energy: 0.6912508623543999
Energy: 0.6556077507656423
Energy: 0.5976282347649193
Energy: 0.6556077507664803
Energy: 0.5918988081163836
Energy: 0.6734288480058638
Energy: 0.667598964263159
Energy: 0.6734288480058638
Energy: 0.7599731128284147
Energy: 0.7091396507871142
Energy: 0.5990260806564334
Energy: 0.7091396507871142
Energy: 0.5902173058536269
Energy: 0.6503315276694833
Energy: 0.6307462989302898
Energy: 0.6503315276694833

minimum gb energy = 0.5898995326310315 eV
minimum distance =  2.4996813725376 Angstroms
sigma value = 17


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

Energy: 0.60335172093243
Energy: 0.6037822970633082
Energy: 0.8096121687426197
Energy: 0.6037822970638262
Energy: 0.6911494515972225
Energy: 0.645852204895391
Energy: 0.5945362662787698
Energy: 0.6458522048959088
Energy: 0.5925768248230056
Energy: 0.597622820714509
Energy: 0.6751485905041416
Energy: 0.5976228207139912
Energy: 0.8034038765405082
Energy: 0.63235671235184
Energy: 0.5913670935557814
Energy: 0.63235671235184
Energy: 0.5887301849531568
Energy: 0.6762686721978579
Energy: 0.7513379707347737
Energy: 0.6762686721973399
Energy: 0.7435621993651144
Energy: 0.6910144837977867
Energy: 0.5982497806875621
Energy: 0.6910144837977867
Energy: 0.6052612105266857
Energy: 0.6659620018723984
Energy: 0.6352026383771125
Energy: 0.6659620018723984
Energy: 0.6587494228808289
Energy: 0.681705404367734
Energy: 0.5910469524492116
Energy: 0.681705404367216
Energy: 0.6045810661200329
Energy: 0.6818474644457468
Energy: 0.5984862704926962
Energy: 0.6818474644462648
Energy: 0.6066051626220205
Energy: 0.6959260427503069
Energy: 0.5923454461894619
Energy: 0.6959260427503069
Energy: 0.5912091981797697
Energy: 0.682696019721272
Energy: 0.6518775327558679
Energy: 0.6826960197223079
Energy: 0.593148231781896
Energy: 0.6191637859893249
Energy: 0.5957870975160602
Energy: 0.6191637859893249
Energy: 0.5864986430616076
Energy: 0.7204915806109572
Energy: 0.5871271903996363
Energy: 0.7204915806109572
Energy: 0.6037376254659688
Energy: 0.6289704327576283
Energy: 0.604641173954006
Energy: 0.6289704327576283
Energy: 0.5958705194061878
Energy: 0.6855603689146439
Energy: 0.6089385516838596
Energy: 0.685560368914126
Energy: 0.5913120211739896
Energy: 0.6654079215589148
Energy: 0.7495603481058344
Energy: 0.6654079215583969
Energy: 0.709561991369403
Energy: 0.6367512625261699
Energy: 0.5965595699455521
Energy: 0.6367512625261699
Energy: 0.5882775982488451
Energy: 0.6045381790468544
Energy: 0.7019186112042749
Energy: 0.6045381790468544
Energy: 0.69610826280692
Energy: 0.7079682406501953
Energy: 0.5939455318516194
Energy: 0.7079682406496774
Energy: 0.5951478089601908
Energy: 0.5967166307287527
Energy: 0.7282065611499123
Energy: 0.5967166307287527
Energy: 0.6062108657740407
Energy: 0.6410140684491564
Energy: 0.5888167025833008
Energy: 0.6410140684501922
Energy: 0.588471295718051
Energy: 0.6671849226993443
Energy: 0.6072847717259061
Energy: 0.6671849226988263
Energy: 0.7436808126419607
Energy: 0.6401876411081113
Energy: 0.5963593910322673
Energy: 0.6401876411081113
Energy: 0.5910867637024925
Energy: 0.6658767513111138
Energy: 0.6909036450052314
Energy: 0.6658767513105958
Energy: 0.7004323030438034
Energy: 0.60552989654571
Energy: 0.5894276313106501
Energy: 0.605529896546228
Energy: 0.5869562951536732
Energy: 0.6298351571092144
Energy: 0.708437031370925
Energy: 0.6298351571092144
Energy: 0.6819254143886189
Energy: 0.6920100989636639
Energy: 0.5920209948479346
Energy: 0.6920100989631459
Energy: 0.6119486075019163
Energy: 0.7098047849967539
Energy: 0.5953988127910511
Energy: 0.7098047849967539
Energy: 0.6036334508650988
Energy: 0.6281864517311051
Energy: 0.6052562984718592
Energy: 0.6281864517311051
Energy: 0.6584887611965802
Energy: 0.721592441124256
Energy: 0.7093137919703013
Energy: 0.721592441124256
Energy: 0.5930445808488255
Energy: 0.6278845618677438
Energy: 0.5955854501505108
Energy: 0.627884561867226
Energy: 0.7378950741053419
Energy: 0.6825742751836906
Energy: 0.5897852409924531
Energy: 0.6825742751847265
Energy: 0.5915286526443375
Energy: 0.6949290368872666
Energy: 0.6913323556027536
Energy: 0.6949290368872666
Energy: 0.626227767266546
Energy: 0.6819697883608637
Energy: 0.6018927523635258
Energy: 0.6819697883613818
Energy: 0.5906296650192934
Energy: 0.6731459763095301
Energy: 0.615505770594027
Energy: 0.6731459763090122
Energy: 0.7215953565649584
Energy: 0.6661376158988387
Energy: 0.6044696423873024
Energy: 0.6661376158988387
Energy: 0.5964273767151419
Energy: 0.6918313526430812
Energy: 0.7442273131456499
Energy: 0.6918313526425633
Energy: 0.7268834706008498
Energy: 0.6764527913450338
Energy: 0.6085409443428095
Energy: 0.6764527913455517

minimum gb energy = 0.5864986430616076 eV
minimum distance =  2.45394037292255 Angstroms
sigma value = 89


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

Energy: 0.5268308356098762
Energy: 0.5270319399576613
Energy: 0.7316789562680179
Energy: 0.5270319399576613
Energy: 0.6681796100527492
Energy: 0.5446926307017999
Energy: 0.5379029421472045
Energy: 0.5446926307017999
Energy: 0.5360347229860829
Energy: 0.6547805083123867
Energy: 0.7781345651171865
Energy: 0.6547805083123867
Energy: 0.7770306114531544
Energy: 0.5446783392433141
Energy: 0.5377707948037397
Energy: 0.5446783392433141
Energy: 0.5358484408044127
Energy: 0.606316648025121
Energy: 0.6919188878528116
Energy: 0.606316648025121
Energy: 0.5284365179636868
Energy: 0.527568707438849
Energy: 0.5296143640767107
Energy: 0.527568707438849
Energy: 0.5360861785561976
Energy: 0.6052076283853431
Energy: 0.6705488736777662
Energy: 0.6052076283853431
Energy: 0.6632487813104119
Energy: 0.6547944275459641
Energy: 0.5379163331262501
Energy: 0.6547944275459641
Energy: 0.5359146927429558
Energy: 0.6064098960649332
Energy: 0.6478777987273012
Energy: 0.6064098960649332
Energy: 0.6768572113530303
Energy: 0.6064555904910969
Energy: 0.6537601891862391
Energy: 0.6064555904910969
Energy: 0.5268675202679317
Energy: 0.6247943573834913
Energy: 0.5358685355419447
Energy: 0.6247943573834913
Energy: 0.5269406785942756
Energy: 0.6033917651315456
Energy: 0.5379023014990374
Energy: 0.6033917651315456
Energy: 0.6543468117827668
Energy: 0.606669288159474
Energy: 0.5342388996381988
Energy: 0.606669288159474
Energy: 0.6544390403812277
Energy: 0.560817470703467
Energy: 0.6545210804259763
Energy: 0.560817470703467
Energy: 0.5279344358828252
Energy: 0.6066622082573386
Energy: 0.6543441576675807
Energy: 0.6066622082573386

minimum gb energy = 0.5268308356098762 eV
minimum distance =  2.49855545530841 Angstroms
sigma value = 13


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

Energy: 0.5774807103823769
Energy: 0.6700061200923473
Energy: 0.8248536796052105
Energy: 0.6700061200929153
Energy: 0.6178173424437717
Energy: 0.649892739748671
Energy: 0.5317170463721865
Energy: 0.649892739749239
Energy: 0.5353545775624902
Energy: 0.6790283954442324
Energy: 0.6102196215782664
Energy: 0.6790283954436643
Energy: 0.6837950861037397
Energy: 0.6210742440743514
Energy: 0.5295367747108385
Energy: 0.6210742440749194
Energy: 0.539810154998601
Energy: 0.6727906394281371
Energy: 0.5658015770760095
Energy: 0.6727906394281371
Energy: 0.5433883476594588
Energy: 0.6218463368062793
Energy: 0.5660832383928953
Energy: 0.6218463368062793
Energy: 0.5398321189256347
Energy: 0.6867140651753421
Energy: 0.7736777194049435
Energy: 0.6867140651747741
Energy: 0.5300543584368281
Energy: 0.6906576590416693
Energy: 0.5660879256570119
Energy: 0.6906576590416693
Energy: 0.5417727040859831
Energy: 0.6299520618067763
Energy: 0.7496180872430313
Energy: 0.6299520618067763
Energy: 0.6200520378785721
Energy: 0.6846145071736072
Energy: 0.5296947226599065
Energy: 0.6846145071736072
Energy: 0.5404879857611969
Energy: 0.6318757814559595
Energy: 0.6750653363481672
Energy: 0.6318757814559595
Energy: 0.7243446134587936
Energy: 0.6849335186749411
Energy: 0.5332370212997
Energy: 0.6849335186749411
Energy: 0.5445623581764051
Energy: 0.6352643174137018
Energy: 0.5403072027603278
Energy: 0.6352643174142698
Energy: 0.6817966097121635
Energy: 0.6567673230096248
Energy: 0.5332165302357962
Energy: 0.6567673230096248
Energy: 0.5405891409055309
Energy: 0.6313488725274883
Energy: 0.5298898020997383
Energy: 0.6313488725274883
Energy: 0.5573174333144703
Energy: 0.6060996872467255
Energy: 0.5269997308029094
Energy: 0.6060996872461575
Energy: 0.5300244975758487
Energy: 0.6638595954331242
Energy: 0.5272504486024586
Energy: 0.6638595954331242
Energy: 0.5256631130004675
Energy: 0.6631329198586409
Energy: 0.5644884587567718
Energy: 0.6631329198580729
Energy: 0.5259683449114377
Energy: 0.6756427540835462
Energy: 0.5643764675289249
Energy: 0.6756427540829781
Energy: 0.5265226073340518
Energy: 0.670236199855092
Energy: 0.5644327864719038
Energy: 0.670236199855092
Energy: 0.5309252957459075
Energy: 0.6267961665529818
Energy: 0.564498591220022
Energy: 0.6267961665529818
Energy: 0.528983980162506
Energy: 0.671643506669746
Energy: 0.527306255298827
Energy: 0.671643506669746
Energy: 0.5630412344336423
Energy: 0.632096833916596
Energy: 0.5272465922079591
Energy: 0.632096833916596
Energy: 0.5402820372845758
Energy: 0.6361004222420495
Energy: 0.6670694345379511
Energy: 0.6361004222420495
Energy: 0.7269876005101522
Energy: 0.6684478898334429
Energy: 0.5332122707822559
Energy: 0.6684478898334429
Energy: 0.5847885485111467
Energy: 0.6751387192968522
Energy: 0.5313949412535716
Energy: 0.6751387192968522
Energy: 0.6852403861410876
Energy: 0.6844713992727304
Energy: 0.5340110898586711
Energy: 0.6844713992732983
Energy: 0.5402804376870611
Energy: 0.6056991232574729
Energy: 0.6294782449853028
Energy: 0.6056991232574729
Energy: 0.5678099817141069
Energy: 0.6902931685557405
Energy: 0.5279015273316768
Energy: 0.6902931685563085
Energy: 0.539980928561409
Energy: 0.668707062973861
Energy: 0.757472058209137
Energy: 0.668707062974429
Energy: 0.5292218832001644
Energy: 0.6771408538390044
Energy: 0.5661322106017913
Energy: 0.6771408538390044
Energy: 0.539880097523374
Energy: 0.6770214969426095
Energy: 0.7415471773137521
Energy: 0.6770214969426095
Energy: 0.6681648105170767
Energy: 0.5964941942866366
Energy: 0.5660745309804343
Energy: 0.5964941942809566
Energy: 0.5383580719100914
Energy: 0.679765986930465
Energy: 0.6602892430120016
Energy: 0.679765986930465
Energy: 0.6729408250249014
Energy: 0.6492702640610694
Energy: 0.5277279198742453
Energy: 0.6492702640616373

minimum gb energy = 0.5256631130004675 eV
minimum distance =  2.30021544303508 Angstroms
sigma value = 37


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

Energy: 0.5717242233843687
Energy: 0.5632668909118587
Energy: 0.650885875029753
Energy: 0.5632668909118587
Energy: 0.617408285363836
Energy: 0.593279524490475
Energy: 0.4901864352127058
Energy: 0.593279524490475
Energy: 0.49942653396950587
Energy: 0.6838481157807933
Energy: 0.6614427411283559
Energy: 0.6838481157807933
Energy: 0.5449534333149565
Energy: 0.5489464645348415
Energy: 0.49051110813272214
Energy: 0.5489464645348415
Energy: 0.4897632093590306
Energy: 0.5933329733092672
Energy: 0.5417180328242763
Energy: 0.5933329733102444
Energy: 0.4867789773775235
Energy: 0.6390626481670925
Energy: 0.5464257340022741
Energy: 0.6390626481670925
Energy: 0.49678066652802344
Energy: 0.7022087511953959
Energy: 0.6178832773369141
Energy: 0.7022087511953959
Energy: 0.4806558866773668
Energy: 0.5002034750814351
Energy: 0.5022027451224201
Energy: 0.5002034750814351
Energy: 0.49048111680342427
Energy: 0.5934563441497596
Energy: 0.5950307603269991
Energy: 0.5934563441497596
Energy: 0.6617053242231375
Energy: 0.6838211016016028
Energy: 0.5465184182486806
Energy: 0.6838211016016028
Energy: 0.5018822828288475
Energy: 0.680196933403688
Energy: 0.5445637858924979
Energy: 0.6801969334046652
Energy: 0.5005437756308904
Energy: 0.5875268322671504
Energy: 0.49048872255747794
Energy: 0.5875268322681276
Energy: 0.5444012161505286
Energy: 0.6388615413040634
Energy: 0.7446584156583622
Energy: 0.6388615413040634
Energy: 0.6664802718345118
Energy: 0.7119631424714791
Energy: 0.480414462516045
Energy: 0.7119631424714791
Energy: 0.5716138479183184
Energy: 0.5733313628099526
Energy: 0.48054834510919114
Energy: 0.5733313628099526
Energy: 0.5719198499924902
Energy: 0.5885593255532171
Energy: 0.4899405050170718
Energy: 0.5885593255532171
Energy: 0.5444183465556685
Energy: 0.6800840793306093
Energy: 0.4914565329099892
Energy: 0.6800840793306093
Energy: 0.5449021078043292
Energy: 0.6933661570654915
Energy: 0.4893631983610734
Energy: 0.6933661570654915
Energy: 0.48935101654862834
Energy: 0.5876256847991712
Energy: 0.4897136603060757
Energy: 0.5876256847991712
Energy: 0.4894618802790449
Energy: 0.6542712526844372
Energy: 0.5445672090226501
Energy: 0.6542712526844372

minimum gb energy = 0.480414462516045 eV
minimum distance =  2.41287775931203 Angstroms
sigma value = 25


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

Energy: 0.4667751531994831
Energy: 0.5884606193533832
Energy: 0.7988797747066215
Energy: 0.5884606193533832
Energy: 0.5863421125800198
Energy: 0.5991025672951955
Energy: 0.4443330310417075
Energy: 0.5991025672951955
Energy: 0.44104418596197353
Energy: 0.4411663478392872
Energy: 0.7863882305007491
Energy: 0.4411663478392872
Energy: 0.4835876106412948
Energy: 0.6002647996309398
Energy: 0.4443749020719242
Energy: 0.6002647996309398
Energy: 0.4452933252444177
Energy: 0.6009993351542202
Energy: 0.43190527964562153
Energy: 0.6009993351542202
Energy: 0.6179135750964008
Energy: 0.6002216085976237
Energy: 0.44612508756158314
Energy: 0.6002216085968606
Energy: 0.4455710297036794
Energy: 0.5186875266103218
Energy: 0.4855368565336977
Energy: 0.5186875266103218
Energy: 0.43148412378324386
Energy: 0.5420929264770672
Energy: 0.4421904221278778
Energy: 0.5420929264770672
Energy: 0.44531015245266653
Energy: 0.5991431625630119
Energy: 0.5890097357745614
Energy: 0.5991431625637752
Energy: 0.43005152258015616
Energy: 0.5886481142010633
Energy: 0.46766487439483595
Energy: 0.5886481142010633
Energy: 0.44563215638187115
Energy: 0.5180120346362623
Energy: 0.586310012273764
Energy: 0.5180120346362623
Energy: 0.752345534591003
Energy: 0.6474892068890366
Energy: 0.44213068914009984
Energy: 0.6474892068890366
Energy: 0.445227965013533
Energy: 0.5989820729216142
Energy: 0.533292071819753
Energy: 0.5989820729216142
Energy: 0.7460845059748936
Energy: 0.6265549372428438
Energy: 0.44612027880058014
Energy: 0.6265549372428438
Energy: 0.44561181559984414
Energy: 0.5179644009848583
Energy: 0.4307857044581385
Energy: 0.5179644009856214
Energy: 0.5565195456472042
Energy: 0.6486325260989747
Energy: 0.4449874143437613
Energy: 0.6486325260989747
Energy: 0.44537339683128213
Energy: 0.5414521536737331
Energy: 0.44299382118682584
Energy: 0.5414521536737331
Energy: 0.5464045997453516
Energy: 0.599225059221549
Energy: 0.44621805104728424
Energy: 0.599225059221549
Energy: 0.470625539777818
Energy: 0.5891335825332856
Energy: 0.4326167710689808
Energy: 0.5891335825332856
Energy: 0.6239458027857905
Energy: 0.6209474813952455
Energy: 0.44484081908628764
Energy: 0.6209474813952455
Energy: 0.44532316332605176
Energy: 0.6472903058398147
Energy: 0.4343558566389142
Energy: 0.6472903058398147
Energy: 0.4416319047753807
Energy: 0.5993241698344496
Energy: 0.44442871985892446
Energy: 0.5993241698344496
Energy: 0.4458405392912553
Energy: 0.626368852958233
Energy: 0.5726932830926411
Energy: 0.626368852958233
Energy: 0.42956558116819027
Energy: 0.620586029878113
Energy: 0.44493409527085614
Energy: 0.620586029878113
Energy: 0.44499227211876224
Energy: 0.6483207862121628
Energy: 0.5316466506122219
Energy: 0.6483207862121628
Energy: 0.43246978803411895
Energy: 0.5411543702302765
Energy: 0.44116709227483725
Energy: 0.5411543702302765

minimum gb energy = 0.42956558116819027 eV
minimum distance =  2.32611789338022 Angstroms
sigma value = 41


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

Energy: 0.5660468783158676
Energy: 0.5341123061399274
Energy: 0.7786237266377362
Energy: 0.534112306140553
Energy: 0.6008007217242466
Energy: 0.5296403663066689
Energy: 0.4002516131145714
Energy: 0.5296403663060433
Energy: 0.4113754323049347
Energy: 0.5222505657776693
Energy: 0.7464389640532728
Energy: 0.5222505657776693
Energy: 0.6020935686706901
Energy: 0.5292237598603885
Energy: 0.400254812777318
Energy: 0.5292237598603885
Energy: 0.3972019498759567
Energy: 0.5458191504581014
Energy: 0.41736622357728637
Energy: 0.5458191504581014
Energy: 0.43361832127836286
Energy: 0.5299148463458541
Energy: 0.4002317284433357
Energy: 0.5299148463458541
Energy: 0.39965711762974493
Energy: 0.530633956725218
Energy: 0.4355442523427914
Energy: 0.530633956725218
Energy: 0.5940881396021074
Energy: 0.4751488878353281
Energy: 0.39789123692442974
Energy: 0.4751488878353281
Energy: 0.40204822326011513
Energy: 0.5914382653748641
Energy: 0.6019479686173774
Energy: 0.5914382653748641
Energy: 0.6012314916928895
Energy: 0.5223055999306446
Energy: 0.41209858605567345
Energy: 0.5223055999312702
Energy: 0.3996538024467817
Energy: 0.5296942059843465
Energy: 0.6007786464476563
Energy: 0.5296942059843465
Energy: 0.39114182738318215
Energy: 0.5342183124948381
Energy: 0.5667074854771647
Energy: 0.5342183124948381
Energy: 0.4021083813266468
Energy: 0.5734026539650775
Energy: 0.6403079986807793
Energy: 0.5734026539650775
Energy: 0.7453973523883349
Energy: 0.6717656184647337
Energy: 0.41197158099991177
Energy: 0.6717656184653592
Energy: 0.39972299725332794
Energy: 0.5281155777566858
Energy: 0.6009692494041298
Energy: 0.5281155777573114
Energy: 0.7030813118056405
Energy: 0.5746341582986494
Energy: 0.39788747110587963
Energy: 0.5746341582986494
Energy: 0.40200225750424234
Energy: 0.5732640226478792
Energy: 0.43380986145664563
Energy: 0.5732640226485047
Energy: 0.49255721018927245
Energy: 0.624466274694404
Energy: 0.40028270293020357
Energy: 0.624466274694404
Energy: 0.3996372898981808
Energy: 0.47444563043442606
Energy: 0.39286121620954984
Energy: 0.47444563043442606
Energy: 0.5006420411358714
Energy: 0.5737539342526365
Energy: 0.40458861235434557
Energy: 0.5737539342138491
Energy: 0.41387472564198
Energy: 0.5739235539876023
Energy: 0.6140317078905368
Energy: 0.5739235539869767
Energy: 0.6409454022297048
Energy: 0.6364044183098853
Energy: 0.40025540702341483
Energy: 0.6364044183098853
Energy: 0.5684668808972039
Energy: 0.5340774473147392
Energy: 0.39179514821530415
Energy: 0.5340774473147392
Energy: 0.5566570671483205
Energy: 0.5809559659960051
Energy: 0.402810183893976
Energy: 0.5809559659960051
Energy: 0.4138252824754327
Energy: 0.6239192865229524
Energy: 0.39363676668679937
Energy: 0.6239192865229524
Energy: 0.5472635325010983
Energy: 0.6205262998250216
Energy: 0.4003322417409658
Energy: 0.6205262998250216
Energy: 0.39966651220944865
Energy: 0.5755428760904215
Energy: 0.509243215899081
Energy: 0.5755428760904215
Energy: 0.39781810691542546
Energy: 0.5809232934444909
Energy: 0.404582181259838
Energy: 0.5809232934444909
Energy: 0.40201799340038336
Energy: 0.6266506671250609
Energy: 0.4986894711658364
Energy: 0.6266506671250609
Energy: 0.3919706112601727
Energy: 0.5993731554341662
Energy: 0.40248935254790924
Energy: 0.5993731554341662
Energy: 0.402392548882015
Energy: 0.5730424701582703
Energy: 0.47979651284668345
Energy: 0.5730424701582703
Energy: 0.3936284059849772
Energy: 0.5798480615833572
Energy: 0.41663591164560093
Energy: 0.5798480615833572

minimum gb energy = 0.39114182738318215 eV
minimum distance =  2.32456136662286 Angstroms
sigma value = 15


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

Energy: 0.5651504727224715
Energy: 0.5934999442665417
Energy: 0.758928610694265
Energy: 0.5934999442665417
Energy: 0.628542297592752
Energy: 0.5321118276525457
Energy: 0.3745739196252133
Energy: 0.5321118276525457
Energy: 0.4219736464008498
Energy: 0.5144472571143207
Energy: 0.5107244466489603
Energy: 0.5144472571143207
Energy: 0.6586439032800323
Energy: 0.5148886519867772
Energy: 0.3744841569674885
Energy: 0.5148886519867772
Energy: 0.40811842927129033
Energy: 0.5993090640338653
Energy: 0.3857289151180983
Energy: 0.5993090640338653
Energy: 0.5012751054086524
Energy: 0.515747107083607
Energy: 0.3748637839302672
Energy: 0.515747107083607
Energy: 0.3775616127742185
Energy: 0.4879373876983437
Energy: 0.4307168571194676
Energy: 0.4879373876978137
Energy: 0.43097905965399946
Energy: 0.4896279648325596
Energy: 0.37841254214346176
Energy: 0.4896279648325596
Energy: 0.3756652550132591
Energy: 0.5786731772528699
Energy: 0.5024965009502986
Energy: 0.5786731772523399
Energy: 0.605223697636162
Energy: 0.5453001694475812
Energy: 0.40854830744811427
Energy: 0.5453001694475812
Energy: 0.37412094502188065
Energy: 0.5320657095424826
Energy: 0.6787531404924667
Energy: 0.5320657095424826
Energy: 0.5675305804136069
Energy: 0.5150249441552346
Energy: 0.42218959901935316
Energy: 0.5150249441552346
Energy: 0.3757243412668369
Energy: 0.5704989027130465
Energy: 0.7038374503838742
Energy: 0.5704989027130465
Energy: 0.3634096417193959
Energy: 0.5658920684424124
Energy: 0.5151742034920057
Energy: 0.5658920684424124
Energy: 0.3741770569433461
Energy: 0.5166704366530875
Energy: 0.6297470530899333
Energy: 0.5166704366530875
Energy: 0.5097294016353728
Energy: 0.5151489238116643
Energy: 0.4224143843651593
Energy: 0.5151489238116643
Energy: 0.3756863241427829
Energy: 0.5537416819538086
Energy: 0.6009022790658455
Energy: 0.5537416819538086
Energy: 0.4627895550645098
Energy: 0.5990203729317858
Energy: 0.4085425172622103
Energy: 0.5990203729317858
Energy: 0.37524926871663483
Energy: 0.5168985440331451
Energy: 0.5308538143459111
Energy: 0.5168985440320852
Energy: 0.4316086548505335
Energy: 0.51819248910262
Energy: 0.3784327972680643
Energy: 0.5181924891020898
Energy: 0.3797972248575022
Energy: 0.527818083185591
Energy: 0.45880869817319553
Energy: 0.527818083185061
Energy: 0.49334553026727024
Energy: 0.569793273837886
Energy: 0.3774818323689631
Energy: 0.569793273837886
Energy: 0.4097798986731075
Energy: 0.5392343758048107
Energy: 0.6054007955713666
Energy: 0.5392343758053406
Energy: 0.612248078612253
Energy: 0.5175656700951529
Energy: 0.3745822911865824
Energy: 0.5175656700951529
Energy: 0.42342203908014436
Energy: 0.5572165951210633
Energy: 0.572867260558724
Energy: 0.5572165951210633
Energy: 0.6239987405934901
Energy: 0.5672793713765792
Energy: 0.3774233698634721
Energy: 0.5672793713765792
Energy: 0.5667924053194761
Energy: 0.5814188248285582
Energy: 0.3611614129463766
Energy: 0.5814188248285582
Energy: 0.7388623867444959
Energy: 0.5153995070374151
Energy: 0.37455599087767333
Energy: 0.5153995070379451
Energy: 0.42342334006576
Energy: 0.5817417629221799
Energy: 0.3664805907129291
Energy: 0.5817417629221799
Energy: 0.6404898277397069
Energy: 0.5503843268859384
Energy: 0.37754659775930954
Energy: 0.5503843268859384
Energy: 0.40978323900934793
Energy: 0.5697070894332497
Energy: 0.46247476387584874
Energy: 0.5697070894332497
Energy: 0.5366431036714219
Energy: 0.5157258252702286
Energy: 0.3763937363875934
Energy: 0.5157258252707586
Energy: 0.37998052431515306
Energy: 0.5818231765774713
Energy: 0.49217605956946137
Energy: 0.5818231765780013
Energy: 0.40008218244729216
Energy: 0.5354258355301259
Energy: 0.38204080894805
Energy: 0.5354258355295959
Energy: 0.37001001827414765
Energy: 0.5694028216371302
Energy: 0.48948352500807174
Energy: 0.5694028216366003
Energy: 0.39715293845430283
Energy: 0.5297695339556978
Energy: 0.41147278627523104
Energy: 0.5297695339556978
Energy: 0.3755354629531007
Energy: 0.5817665189988662
Energy: 0.6137543115284958
Energy: 0.5817665189988662

minimum gb energy = 0.3611614129463766 eV
minimum distance =  2.34902484216205 Angstroms
sigma value = 85


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

Energy: 0.48416572655757784
Energy: 0.52876251865612
Energy: 0.5351080662325336
Energy: 0.52876251865612
Energy: 0.7771120556393767
Energy: 0.4798456797476323
Energy: 0.3429300157309654
Energy: 0.4798456797476323
Energy: 0.46494681554376033
Energy: 0.4454683682920591
Energy: 0.6616061815734136
Energy: 0.4454683682920591
Energy: 0.6300562366600908
Energy: 0.4794100797891235
Energy: 0.34291467173167806
Energy: 0.4794100797891235
Energy: 0.3579758592345515
Energy: 0.43067372749713684
Energy: 0.536607644956161
Energy: 0.43067372749713684
Energy: 0.5060847214410817
Energy: 0.48851557029023324
Energy: 0.3429607667744197
Energy: 0.48851557029023324
Energy: 0.3409241566270401
Energy: 0.45583926807275144
Energy: 0.3863086817116069
Energy: 0.45583926807275144
Energy: 0.4461924694034509
Energy: 0.47962926550797214
Energy: 0.342913546811098
Energy: 0.47962926550797214
Energy: 0.34248595577071633
Energy: 0.43807572749135837
Energy: 0.44679147215309806
Energy: 0.43807572749135837
Energy: 0.3862490364628462
Energy: 0.4553812726423503
Energy: 0.34133032364632887
Energy: 0.4553812726423503
Energy: 0.34408281476432007
Energy: 0.488592934950885
Energy: 0.5062405035186339
Energy: 0.488592934950885
Energy: 0.5388983253619583
Energy: 0.4794348236266123
Energy: 0.35848448374259884
Energy: 0.479434823627072
Energy: 0.34251926194229154
Energy: 0.4378375543173451
Energy: 0.6298577405655948
Energy: 0.4378375543173451
Energy: 0.3267629959140177
Energy: 0.44546341114036614
Energy: 0.4652420748825808
Energy: 0.44546341114036614
Energy: 0.34396498877180826
Energy: 0.4793960511787224
Energy: 0.5890697391681369
Energy: 0.4793960511782628
Energy: 0.3247083956473531
Energy: 0.5212063094013634
Energy: 0.48454820161621576
Energy: 0.5212063094013634
Energy: 0.3424733579237792
Energy: 0.4379731764309295
Energy: 0.5889956377732802
Energy: 0.4379731764309295
Energy: 0.6613906885296834
Energy: 0.4455001651091078
Energy: 0.46525907576374587
Energy: 0.4455001651091078
Energy: 0.3438925109840765
Energy: 0.47918206133939095
Energy: 0.6300159494151114
Energy: 0.4791820613389313
Energy: 0.6239539520072106
Energy: 0.5454990879997856
Energy: 0.35842531813460976
Energy: 0.5454990879997856
Energy: 0.3424760456804191
Energy: 0.4378458210596311
Energy: 0.5061437306567665
Energy: 0.4378458210596311
Energy: 0.38737322943600533
Energy: 0.4752397807721674
Energy: 0.34126392214233886
Energy: 0.4752397807721674
Energy: 0.34373982096617606
Energy: 0.47926027424919554
Energy: 0.44651106250186295
Energy: 0.47926027424919554
Energy: 0.41295201541855986
Energy: 0.5310485444607564
Energy: 0.3428638478494509
Energy: 0.5310485444607564
Energy: 0.34244595227812025
Energy: 0.4028662313320686
Energy: 0.38704045976570395
Energy: 0.4028662313325282
Energy: 0.5392673334525526
Energy: 0.4800071213476444
Energy: 0.34357842104780995
Energy: 0.4800071213476444
Energy: 0.3596439673446762
Energy: 0.47969786413886617
Energy: 0.3245990754364672
Energy: 0.47969786413886617
Energy: 0.5076209009545436
Energy: 0.5298323691703265
Energy: 0.34294986917759984
Energy: 0.5298323691703265
Energy: 0.4665176815163014
Energy: 0.44541421821083105
Energy: 0.3266542709490778
Energy: 0.44541421821083105
Energy: 0.5894033369809718
Energy: 0.47520219575353706
Energy: 0.3437131490845733
Energy: 0.47520219575353706
Energy: 0.48561451330224636
Energy: 0.5208484290788206
Energy: 0.32463939968321065
Energy: 0.5208484290788206
Energy: 0.5742808625363296
Energy: 0.5298473773282834
Energy: 0.3429197065220019
Energy: 0.5298473773282834
Energy: 0.466423139295003
Energy: 0.445412316915559
Energy: 0.5370574230357806
Energy: 0.445412316915559
Energy: 0.6705736855618492
Energy: 0.47511466290966076
Energy: 0.3434885247602842
Energy: 0.4751146629092011
Energy: 0.35964327986310946
Energy: 0.532508557527665
Energy: 0.6244114322290305
Energy: 0.532508557527665
Energy: 0.44460213998397036
Energy: 0.5208923200621685
Energy: 0.3429035988934051
Energy: 0.5208923200621685
Energy: 0.34256948773182827
Energy: 0.47497260757196375
Energy: 0.40906356749281114
Energy: 0.47497260757196375
Energy: 0.4365899391744734
Energy: 0.47525333139855513
Energy: 0.3435517961548827
Energy: 0.47525333139855513
Energy: 0.3440212727977097
Energy: 0.5320134615100206
Energy: 0.4111756345347966
Energy: 0.5320134615100206
Energy: 0.3312721007334334
Energy: 0.4990924211135887
Energy: 0.34425744029497457
Energy: 0.4990924211135887
Energy: 0.3426344711341647
Energy: 0.4749218399247268
Energy: 0.5157683619737274
Energy: 0.4749218399247268
Energy: 0.32579040109148577
Energy: 0.4791987522761939
Energy: 0.3614919016597245
Energy: 0.4791987522761939
Energy: 0.34397372073245863
Energy: 0.5319093049114679
Energy: 0.5070856988491428
Energy: 0.5319093049114679

minimum gb energy = 0.3245990754364672 eV
minimum distance =  2.35047673225698 Angstroms
sigma value = 113


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

Energy: 0.011681506249947826
Energy: 0.012401548932530556
Energy: 0.6190991352939192
Energy: 0.012401548932530556
Energy: 0.5040853827426793
Energy: 0.17462271272233218
Energy: 0.17423314084246364
Energy: 0.17462271272233218
Energy: 0.011681506249947826
Energy: 0.012401548932196834
Energy: 0.8520097617398086
Energy: 0.012401548932530556
Energy: 0.504085382742326
Energy: 0.17462271272233218
Energy: 0.17423456892836123
Energy: 0.1746227127226659
Energy: 0.011681506249947826
Energy: 0.012401548932196834
Energy: 1.1403041879747404
Energy: 0.012401548932530556
Energy: 0.5040853827426793
Energy: 0.17462271272233218
Energy: 0.1742020442740397
Energy: 0.17462271272233218

minimum gb energy = 0.011681506249947826 eV
minimum distance =  2.83788990012899 Angstroms
sigma value = 1