Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642807338423
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
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: 0.012708519367612857
Energy: 0.28428583553606246
Energy: 0.7678803203017602
Energy: 0.28419882618605813
Energy: 0.01270851936699921
Energy: 0.2842858355364715
Energy: 0.3979550006168475
Energy: 0.3973265340732795
Energy: 0.013138090282983515
Energy: 0.11418760427679642
Energy: 0.013158876267507322
Energy: 0.39732653407427954
Energy: 0.013138090282574417
Energy: 0.11418760427720552
Energy: 0.012708519367612857
Energy: 0.28428583553626696
Energy: 0.7678803203025558
Energy: 0.2841988261862627
Energy: 0.01270851936699921
Energy: 0.28428583553626696
Energy: 0.39795500061664296
Energy: 0.3973265340732795
Energy: 0.013138090282778963
Energy: 0.11418760427679642
Energy: 0.013158876267507322
Energy: 0.3973265340740749
Energy: 0.013138090282574417
Energy: 0.11418760427700098
Energy: 0.012708519367612857
Energy: 0.28428583553606246
Energy: 0.7678803203023511
Energy: 0.28419882618605813
Energy: 0.01270851936699921
Energy: 0.28428583553626696
Energy: 0.7678803203023511
Energy: 0.397326534073075
Energy: 0.013138090282983515
Energy: 0.1141876042766146
Energy: 0.013158876267711872
Energy: 0.39732653407427954
Energy: 0.013138090282574417
Energy: 0.11418760427700098

minimum gb energy = 0.01270851936699921 eV
minimum distance =  2.83283254905975 Angstroms
sigma value = 5


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

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Energy: 0.6865815022034204
Energy: 0.6882281121538373
Energy: 0.686653048521376
Energy: 0.6660231877724172
Energy: 0.6865815022034204
Energy: 0.6882281121513939
Energy: 0.6418108319872341
Energy: 0.6286635842228021
Energy: 0.6728013513520397
Energy: 0.6343315538062091
Energy: 0.6418108319896775
Energy: 0.6286635842203587
Energy: 0.6728013513520397
Energy: 0.6240197712562574
Energy: 0.6332180685356709
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Energy: 0.645574620033212
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Energy: 0.6332180685381142
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Energy: 0.6573953568089576
Energy: 0.6546639196906882
Energy: 0.6592249044794984
Energy: 0.6274123374091509
Energy: 0.6573953568065142
Energy: 0.6546639196906882
Energy: 0.6592249044746115
Energy: 0.6253414607730253
Energy: 0.624537743392971
Energy: 0.6902889308284132
Energy: 0.6504764604685059
Energy: 0.6253414607730253
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Energy: 0.7022506751082264
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Energy: 0.6497778857221013
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Energy: 0.6447339495508633
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Energy: 0.6301215041955919
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Energy: 0.6466328802198134
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Energy: 0.6693914731254768
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Energy: 0.6497209741059476
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Energy: 0.6535802720885762
Energy: 0.6329381450578673
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Energy: 0.6556162102931048
Energy: 0.6535802720861329
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Energy: 0.6509940276063946
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Energy: 0.6370265300883471
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Energy: 0.6371629174190317
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Energy: 0.717657141637618
Energy: 0.6630620424222557
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Energy: 0.630297795190724
Energy: 0.6633265071502449
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Energy: 0.6302977951931674
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Energy: 0.6505122775817744
Energy: 0.6331661120799905
Energy: 0.7217022039189429
Energy: 0.628495640991406
Energy: 0.6505122775817744
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Energy: 0.7217022039189429
Energy: 0.6901280226898142
Energy: 0.6368871225258099
Energy: 0.6858304841201712
Energy: 0.6575545879388347
Energy: 0.6901280226947011
Energy: 0.6368871225331403
Energy: 0.6858304841152844
Energy: 0.6417804611948404
Energy: 0.65018281872025
Energy: 0.6985817268208918
Energy: 0.6574187413066025
Energy: 0.6417804611972838
Energy: 0.65018281872025
Energy: 0.6985817268160049
Energy: 0.6248426207764618
Energy: 0.6429914676835624
Energy: 0.6966036250592099
Energy: 0.6354370202435168
Energy: 0.6248426207764618
Energy: 0.6429914676835624
Energy: 0.6966036250616533
Energy: 0.6212327523500621
Energy: 0.6567432490168338
Energy: 0.6812140478171033
Energy: 0.6725729509910886
Energy: 0.6212327523500621
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Energy: 0.6193238865491352
Energy: 0.6557698048192437
Energy: 0.662588641144073
Energy: 0.6205891303432667
Energy: 0.6193238865515787
Energy: 0.6557698048168001
Energy: 0.662588641144073

minimum gb energy = 0.6169302031461483 eV
minimum distance =  2.53910542126832 Angstroms
sigma value = 401


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

Energy: 0.6371495481176841
Energy: 0.6533875376375582
Energy: 0.7309827690747871
Energy: 0.6539191944394517
Energy: 0.6371495481187935
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Energy: 0.6479491516893618
Energy: 0.6320684373383645
Energy: 0.6429360342377295
Energy: 0.6444885124885049
Energy: 0.6319353037907257
Energy: 0.6481718605500231
Energy: 0.6527371701488383
Energy: 0.6449002922970641
Energy: 0.6319353037879522
Energy: 0.6481718605494683
Energy: 0.6527371701510571
Energy: 0.633659016102759
Energy: 0.6337086311300204
Energy: 0.6954333928902755
Energy: 0.6366415877541026
Energy: 0.6336590160996828
Energy: 0.6337086311297683
Energy: 0.6954333928921919
Energy: 0.6409584047352898
Energy: 0.6494365308473318
Energy: 0.6871370216428092
Energy: 0.6353451901492042
Energy: 0.6409584047349872
Energy: 0.649436530846777
Energy: 0.6871370216419519
Energy: 0.6428946561867256
Energy: 0.6473253042888957
Energy: 0.6427381653349176
Energy: 0.6350552392961497
Energy: 0.6428946561875829
Energy: 0.6473253042874837
Energy: 0.6427381653338081
Energy: 0.6392967883017902
Energy: 0.6317862519099371
Energy: 0.642268711904178
Energy: 0.6410777139562512
Energy: 0.6392967883001259
Energy: 0.6317862519130131
Energy: 0.6422687119019591
Energy: 0.6293425328225467
Energy: 0.63470533234225
Energy: 0.6413611470149804
Energy: 0.6315806489553475
Energy: 0.6293425328211347
Energy: 0.6347053323425524
Energy: 0.6413611470168966
Energy: 0.621353502482316
Energy: 0.6533875376389703
Energy: 0.7108412076573517
Energy: 0.6539191944386449
Energy: 0.6213535024873085
Energy: 0.6533875376386676
Energy: 0.7108412076590159
Energy: 0.6298097154095815
Energy: 0.6258709438666886
Energy: 0.6485248523873196
Energy: 0.6450278008021949
Energy: 0.6298097154115482
Energy: 0.6258709438681007
Energy: 0.6485248523892359

minimum gb energy = 0.621353502482316 eV
minimum distance =  2.55418671638431 Angstroms
sigma value = 311


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

Energy: 0.6613946211452931
Energy: 0.6546850776221148
Energy: 0.7104576957865513
Energy: 0.6523882880298646
Energy: 0.6613946211456133
Energy: 0.6546850776217946
Energy: 0.716935556521319
Energy: 0.6803619450574467
Energy: 0.6397688339835538
Energy: 0.6664594080073805
Energy: 0.6523695295695237
Energy: 0.6803619450574467
Energy: 0.6397688339829133
Energy: 0.6664594080080211
Energy: 0.6516199346335088
Energy: 0.6620465763809514
Energy: 0.7106265904777219
Energy: 0.65656848928555
Energy: 0.6516199346341494
Energy: 0.6620465763806312
Energy: 0.7106265904770814
Energy: 0.6582761018296588
Energy: 0.6415413934606278
Energy: 0.6917243750921342
Energy: 0.6427289198000082
Energy: 0.6582761018296588
Energy: 0.6415413934606278
Energy: 0.691724375091814
Energy: 0.6711532879546682
Energy: 0.6521100072461526
Energy: 0.7000005159850133
Energy: 0.6589588871210009
Energy: 0.6711532879549883
Energy: 0.6521100072464731
Energy: 0.6798492603463238
Energy: 0.6595676079684061
Energy: 0.6423578402931575
Energy: 0.6651396928607803
Energy: 0.640613069305138
Energy: 0.6595676079680859
Energy: 0.6423578402931575
Energy: 0.6651396928607803
Energy: 0.6549806063403429
Energy: 0.6970927657142917
Energy: 0.6774929351557744
Energy: 0.664351139993258
Energy: 0.6549806063397025
Energy: 0.6970927657149322
Energy: 0.6774929351544932
Energy: 0.6588121904811726
Energy: 0.6477060535317554
Energy: 0.68828070456832
Energy: 0.6535816714927942
Energy: 0.6588121904808523
Energy: 0.6477060535311149
Energy: 0.6882807045686403
Energy: 0.6476426842022527
Energy: 0.628953110565227
Energy: 0.6959050800437806
Energy: 0.644599002828945
Energy: 0.6476426842025729
Energy: 0.6289531105661877
Energy: 0.6959050800428198
Energy: 0.6639438434547235
Energy: 0.6701532010560047
Energy: 0.703586066417445
Energy: 0.6744377754398926
Energy: 0.6639438434547235
Energy: 0.6701532010556845
Energy: 0.7035860664164841
Energy: 0.6875826913449458
Energy: 0.6603422540304116
Energy: 0.7260343759075599
Energy: 0.6401048198859528
Energy: 0.6875826913446255
Energy: 0.6603422540300914
Energy: 0.7260343759072396
Energy: 0.6578048698076435
Energy: 0.6796871581921186
Energy: 0.6928608564878923
Energy: 0.6613362700108952
Energy: 0.6578048698073231
Energy: 0.6796871581914781
Energy: 0.692860856488853
Energy: 0.6588695847901815
Energy: 0.6548448326535519
Energy: 0.6879351403341315
Energy: 0.6413947028499184
Energy: 0.6588695847895409
Energy: 0.6548448326535519
Energy: 0.6879351403341315
Energy: 0.6363014204232068
Energy: 0.6634575467747157
Energy: 0.6736261255802115
Energy: 0.6571375669017837
Energy: 0.6363014204225662
Energy: 0.6634575467747157
Energy: 0.6736261255802115
Energy: 0.6719389961352965
Energy: 0.6413531794326042
Energy: 0.6885060730940699
Energy: 0.6402422921201585
Energy: 0.6719389961356167
Energy: 0.641353179432284
Energy: 0.6885060730947106
Energy: 0.657852335818841
Energy: 0.6595129170896625
Energy: 0.6921957267206622
Energy: 0.6832522604422732
Energy: 0.6578523358191611
Energy: 0.659512917089022
Energy: 0.692195726720342
Energy: 0.6725447005596837
Energy: 0.6426434938183074
Energy: 0.7056793582285968
Energy: 0.6394637075487872
Energy: 0.6725447005603241
Energy: 0.6426434938176669
Energy: 0.7056793582292374
Energy: 0.6546368807237901
Energy: 0.7020289652988719
Energy: 0.6965889837661364
Energy: 0.6683631279901677
Energy: 0.6546368807231495
Energy: 0.7020289652985517
Energy: 0.6965889837651758
Energy: 0.6463148184601136
Energy: 0.6464570976027004
Energy: 0.694874637269463
Energy: 0.6488260801719989
Energy: 0.6463148184594731
Energy: 0.646457097603341
Energy: 0.694874637269463
Energy: 0.6588676978968546
Energy: 0.640490942126886
Energy: 0.6774443153202432
Energy: 0.6449344259992104
Energy: 0.6588676978955735
Energy: 0.6404909421272063
Energy: 0.6774443153202432
Energy: 0.6620474133079968
Energy: 0.664332034693939
Energy: 0.6800213088616486
Energy: 0.6744362594521603
Energy: 0.6620474133079968
Energy: 0.664332034693939
Energy: 0.6800213088629297
Energy: 0.6685364575072671
Energy: 0.6394518282063385
Energy: 0.66659429933448
Energy: 0.6321247430691769
Energy: 0.6685364575059861
Energy: 0.6394518282060183
Energy: 0.6665942993338395
Energy: 0.6537410671919842
Energy: 0.6595147319122193
Energy: 0.6781936515986677
Energy: 0.6516233179362066
Energy: 0.653741067191664
Energy: 0.6595147319125397
Energy: 0.6781936515983475
Energy: 0.6463307729915595
Energy: 0.6398523642595213
Energy: 0.687020407801839
Energy: 0.6415970271590727
Energy: 0.6463307729922
Energy: 0.6398523642601618
Energy: 0.6870204078008783
Energy: 0.6489937210155758
Energy: 0.6578977153929283
Energy: 0.6720548355240921
Energy: 0.6469636839928818
Energy: 0.6489937210158961
Energy: 0.6578977153932486
Energy: 0.6720548355247326
Energy: 0.6789366284913037
Energy: 0.6525131897621403
Energy: 0.666248015847842
Energy: 0.6496324978361768
Energy: 0.6789366284919441
Energy: 0.6525131897621403
Energy: 0.6662480158472013
Energy: 0.6682976670400125
Energy: 0.6545550317968961
Energy: 0.7183245171562715
Energy: 0.6546174022756073
Energy: 0.6682976670396922
Energy: 0.6545550317968961
Energy: 0.7183245171415396
Energy: 0.6793567051648676
Energy: 0.6424868465473768
Energy: 0.6663643636658393
Energy: 0.6560947568861675
Energy: 0.6793567051645473
Energy: 0.6424868465476969
Energy: 0.6663643636658393
Energy: 0.6515576485777177
Energy: 0.6654277227540683
Energy: 0.6881783007748659
Energy: 0.6380447989409478
Energy: 0.6515576485786785
Energy: 0.6654277227531074
Energy: 0.6881783007742254
Energy: 0.6448725885156917
Energy: 0.649176115225984
Energy: 0.686566158782136
Energy: 0.6320439653231105
Energy: 0.6448725885156917
Energy: 0.649176115225023
Energy: 0.6865661587814955
Energy: 0.6572744921399717
Energy: 0.652027962685223
Energy: 0.7004802078619055
Energy: 0.6586163652778807
Energy: 0.6572744921393312
Energy: 0.6520279626842621
Energy: 0.7004802078619055
Energy: 0.6621718226902886
Energy: 0.632674154268772
Energy: 0.6667376414900283
Energy: 0.6447550774697527
Energy: 0.6621718226915696
Energy: 0.6326741542690925
Energy: 0.6667376414903486
Energy: 0.6706669284148177
Energy: 0.6956253387046113
Energy: 0.6790128751472164
Energy: 0.6545599771468689
Energy: 0.6706669284151379
Energy: 0.6956253387052518
Energy: 0.6790128751465759
Energy: 0.6607209590811899
Energy: 0.6569984810171865
Energy: 0.6871031934029734
Energy: 0.6405823251369723
Energy: 0.6607209590805495
Energy: 0.6569984810171865
Energy: 0.687103193402333
Energy: 0.6463485305035442
Energy: 0.6559215998645165
Energy: 0.7230665766510407
Energy: 0.6375677592911527
Energy: 0.646348530503224
Energy: 0.655921599863876
Energy: 0.723066576643995
Energy: 0.6639338054913618
Energy: 0.6756997934010658
Energy: 0.6971558958038235
Energy: 0.6967054152353702
Energy: 0.6639338054907212
Energy: 0.6756997934013861
Energy: 0.697155895803183

minimum gb energy = 0.628953110565227 eV
minimum distance =  2.54505396643426 Angstroms
sigma value = 39


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

Energy: 0.6592917057973668
Energy: 0.679407259059021
Energy: 0.711930206602819
Energy: 0.6794215619204449
Energy: 0.6592917057973668
Energy: 0.6794072590575092
Energy: 0.7119302066031971
Energy: 0.6555182349173985
Energy: 0.6615578552820391
Energy: 0.6217695429807073
Energy: 0.662216321035766
Energy: 0.6555182349185324
Energy: 0.6615578552790153
Energy: 0.6217695429776835
Energy: 0.6593479855164098
Energy: 0.6247390805108342
Energy: 0.6545407579667082
Energy: 0.6406516723738994
Energy: 0.6593479855190557
Energy: 0.624739080511968
Energy: 0.6545407579667082
Energy: 0.6511926057577561
Energy: 0.6615372447707942
Energy: 0.6225217132485046
Energy: 0.6835115810183138
Energy: 0.651192605758134
Energy: 0.6615372447711724
Energy: 0.6225217132500164
Energy: 0.668633817855448
Energy: 0.6391237832963553
Energy: 0.6635638066839619
Energy: 0.6406590258969364
Energy: 0.668633817856204
Energy: 0.6391237832948435
Energy: 0.6635638066816939
Energy: 0.6472119773116993
Energy: 0.6386059814839832
Energy: 0.6613779919469777
Energy: 0.6767995535902734
Energy: 0.6472119773135891
Energy: 0.6386059814836053
Energy: 0.6613779919420639
Energy: 0.7148859565145828
Energy: 0.6398320135886594
Energy: 0.65375078250991
Energy: 0.6402040925242416
Energy: 0.7148859565134488
Energy: 0.6398320135897932
Energy: 0.6537507825065082
Energy: 0.6475487206937063
Energy: 0.6640509024756526
Energy: 0.6823158129528635
Energy: 0.6639107418974827
Energy: 0.6475487206940842
Energy: 0.6640509024767866
Energy: 0.6823158129547533
Energy: 0.7148950189670488
Energy: 0.640227718961091
Energy: 0.6596877150892152
Energy: 0.6398219428180885
Energy: 0.7148950189640251
Energy: 0.6402277189595791
Energy: 0.6596877150892152
Energy: 0.6514195849805237
Energy: 0.6764549034224296
Energy: 0.6614472017423052
Energy: 0.6385547354688085
Energy: 0.6514195849823792
Energy: 0.6764549034231856
Energy: 0.6614472017415491
Energy: 0.6684855605502543
Energy: 0.6406611246136868
Energy: 0.6601427376372593
Energy: 0.6390564399365849
Energy: 0.6684855605510103
Energy: 0.6406611246133089
Energy: 0.6659750672728838
Energy: 0.6508469171035725
Energy: 0.6834634680893789
Energy: 0.6226121566576837
Energy: 0.6616510444718885
Energy: 0.6508469171035725
Energy: 0.6834634680901347
Energy: 0.6226121566591956
Energy: 0.6592989862454819
Energy: 0.640697892876712
Energy: 0.6646134649886271
Energy: 0.6247955026628658
Energy: 0.6592989862439699
Energy: 0.6406978928748222
Energy: 0.6646134649924067
Energy: 0.6557329227375173
Energy: 0.6622629500853128
Energy: 0.6217382484830211
Energy: 0.6615533522204213
Energy: 0.655732922739785
Energy: 0.6622629500853128
Energy: 0.6217382484815092
Energy: 0.6592917057969889
Energy: 0.679407259059021
Energy: 0.6714258316693377
Energy: 0.6794215619196888
Energy: 0.6592917057977448
Energy: 0.6794072590571312
Energy: 0.6714258316682037
Energy: 0.6555182349177763
Energy: 0.6615578552812831
Energy: 0.6217695429822191
Energy: 0.6622163210372778
Energy: 0.6555182349181543
Energy: 0.6615578552797713
Energy: 0.6217695429780614
Energy: 0.6593479855167877
Energy: 0.6247390805112122
Energy: 0.6589398559089192
Energy: 0.6406516723738994
Energy: 0.6593479855190557
Energy: 0.6247390805115902
Energy: 0.6589398559089192
Energy: 0.6511926057588899
Energy: 0.6615372447700384
Energy: 0.6225217132488825
Energy: 0.683511581017936
Energy: 0.6511926057585119
Energy: 0.6615372447715504
Energy: 0.6225217132492604
Energy: 0.668633817855448
Energy: 0.6391237832952216
Energy: 0.6587991273826418
Energy: 0.6406590258961803
Energy: 0.668633817855448
Energy: 0.6391237832948435
Energy: 0.6587991273833977
Energy: 0.6472119773120772
Energy: 0.6386059814839832
Energy: 0.6613779919450877
Energy: 0.6767995535910293
Energy: 0.6472119773128333
Energy: 0.6386059814836053
Energy: 0.6613779919439537
Energy: 0.7148859565145828
Energy: 0.6398320135890373
Energy: 0.6302745746814973
Energy: 0.6402040925249975
Energy: 0.7148859565142047
Energy: 0.6398320135894153
Energy: 0.6302745746826313
Energy: 0.6475487206944621
Energy: 0.6640509024760306
Energy: 0.6823158129524854
Energy: 0.6639107418982386
Energy: 0.6475487206940842
Energy: 0.6640509024764085
Energy: 0.6823158129539972
Energy: 0.7148950189670488
Energy: 0.640227718961091
Energy: 0.6467304896187456
Energy: 0.6398219428177105
Energy: 0.7148950189636472
Energy: 0.6402277189592012
Energy: 0.6467304896191237
Energy: 0.6514195849809017
Energy: 0.6764549034228076
Energy: 0.6614472017415491
Energy: 0.6385547354688085
Energy: 0.6514195849827573
Energy: 0.6764549034235636
Energy: 0.6614472017423052
Energy: 0.6684855605510103
Energy: 0.6406611246133089
Energy: 0.6792726467581198
Energy: 0.6390564399365849
Energy: 0.6684855605506324
Energy: 0.6406611246144428
Energy: 0.6792726467611436
Energy: 0.6508469171031946
Energy: 0.683463468088623
Energy: 0.6226121566573057
Energy: 0.6616510444718885
Energy: 0.6508469171039506
Energy: 0.6834634680908908
Energy: 0.6226121566588176
Energy: 0.6592989862454819
Energy: 0.640697892876712
Energy: 0.6625674601827057
Energy: 0.6247955026632438
Energy: 0.659298986244348
Energy: 0.6406978928744441
Energy: 0.6625674601838397
Energy: 0.6557329227371393
Energy: 0.6622629500856909
Energy: 0.6217382484830211
Energy: 0.6615533522204213
Energy: 0.6557329227390292
Energy: 0.6622629500860688
Energy: 0.621738248482643
Energy: 0.6592917057973668
Energy: 0.679407259059399
Energy: 0.6714258316693377
Energy: 0.6794215619200668
Energy: 0.6592917057973668
Energy: 0.679407259057887
Energy: 0.6714258316685816
Energy: 0.6555182349173985
Energy: 0.6615578552816611
Energy: 0.6217695429803293
Energy: 0.6622163210368999
Energy: 0.6555182349181543
Energy: 0.6615578552790153
Energy: 0.6217695429776835

minimum gb energy = 0.6217382484815092 eV
minimum distance =  2.62379728035197 Angstroms
sigma value = 21


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

Energy: 0.6714024690465068
Energy: 0.7285672265903844
Energy: 0.6889406438367389
Energy: 0.7288138853952454
Energy: 0.6714024690465068
Energy: 0.7285672265894666
Energy: 0.6889406438367389
Energy: 0.6757884998001306
Energy: 0.668055386620627
Energy: 0.6443253129075567
Energy: 0.6679383603205634
Energy: 0.6757884997996717
Energy: 0.6680553866201682
Energy: 0.6443253129066391
Energy: 0.6747399964439329
Energy: 0.6638867047313706
Energy: 0.6767700160528116
Energy: 0.6660556113560475
Energy: 0.6747399964439329
Energy: 0.6638867047313706
Energy: 0.6767700160523528
Energy: 0.6619069238189591
Energy: 0.6691992500188371
Energy: 0.6512656886633502
Energy: 0.6550012509836844
Energy: 0.6619069238180415
Energy: 0.6691992500192958
Energy: 0.6512656886624325
Energy: 0.6548084798550239
Energy: 0.6267232411807715
Energy: 0.6498601348351278
Energy: 0.6758512229215946
Energy: 0.6548084798564003
Energy: 0.626723241187654
Energy: 0.6498601348342102
Energy: 0.6620527389928103
Energy: 0.6356738669433607
Energy: 0.717253401900613
Energy: 0.6615846810430174
Energy: 0.6620527389932691
Energy: 0.6356738669429018
Energy: 0.7172534019015308
Energy: 0.6542065708398085
Energy: 0.6268159356411324
Energy: 0.6498971259197103
Energy: 0.6658397170002999
Energy: 0.6542065708398085
Energy: 0.6268159356425088
Energy: 0.6498971259187927
Energy: 0.6681983050938363
Energy: 0.6462215567592916
Energy: 0.7218839598836853
Energy: 0.658993188615616
Energy: 0.6681983050947539
Energy: 0.6462215567597506
Energy: 0.7218839598841441
Energy: 0.6541509850391398
Energy: 0.6621445354187683
Energy: 0.6715301002328752
Energy: 0.7109518249667155
Energy: 0.6541509850395986
Energy: 0.6621445354183094
Energy: 0.6715301002328752
Energy: 0.6547036801364499
Energy: 0.6703134911795112
Energy: 0.6541666961166054
Energy: 0.6588816374725823
Energy: 0.6547036801359911
Energy: 0.6703134911781345
Energy: 0.6541666961156878
Energy: 0.6999873107266006
Energy: 0.7046514013217327
Energy: 0.6631672265729602
Energy: 0.6510079795225134
Energy: 0.6999873107266006
Energy: 0.7046514013217327
Energy: 0.6631672265743367
Energy: 0.6300747485938825
Energy: 0.6488767328737975
Energy: 0.6488394894993617
Energy: 0.6502359537357569
Energy: 0.6300747485943412
Energy: 0.6488767328733596
Energy: 0.6488394895007381
Energy: 0.7089575558668967
Energy: 0.6508436450651375
Energy: 0.6555314748895265
Energy: 0.6577198442950207
Energy: 0.7089575558659791
Energy: 0.6508436450655963
Energy: 0.6555314748890676
Energy: 0.6336655880534422
Energy: 0.648911233969191
Energy: 0.6527087577498223
Energy: 0.6334845162925914
Energy: 0.6336655880543598
Energy: 0.6489112339678146
Energy: 0.6527087577493635
Energy: 0.6980988073563225
Energy: 0.6423454920104931
Energy: 0.6560651405688668
Energy: 0.6570952495562271
Energy: 0.6980988073554047
Energy: 0.6423454920091165
Energy: 0.6560651405679492
Energy: 0.629558802242316
Energy: 0.6921359038568116
Energy: 0.6527514905049427
Energy: 0.6433631144949863
Energy: 0.6295588022418571
Energy: 0.6921359038568116
Energy: 0.6527514905040249
Energy: 0.6976724773086843
Energy: 0.6422505007891693
Energy: 0.6514841763235564
Energy: 0.6570037898035143
Energy: 0.6976724773086843
Energy: 0.6422505007905458
Energy: 0.6514841763249329
Energy: 0.6295304629786115
Energy: 0.6717591482748012
Energy: 0.6590971324714505
Energy: 0.6512561698219526
Energy: 0.6295304629786115
Energy: 0.6717591482743424
Energy: 0.6590971324728271
Energy: 0.6779264237241154
Energy: 0.6422538725355135
Energy: 0.6749665118779726
Energy: 0.6483469542417245
Energy: 0.6779264237231976
Energy: 0.6422538725350546
Energy: 0.6749665118765961
Energy: 0.6298602547785453
Energy: 0.691332916259917
Energy: 0.6430802428811618
Energy: 0.6913254058572226
Energy: 0.6298602547780864
Energy: 0.6913329162612937
Energy: 0.6430802428807031
Energy: 0.6779279400756105
Energy: 0.6484873791320811
Energy: 0.7048486956117567
Energy: 0.6423257649801388
Energy: 0.6779279400765282
Energy: 0.6484873791311633
Energy: 0.7048486956108388
Energy: 0.629540397428045
Energy: 0.6512536374571881
Energy: 0.6588077336553791
Energy: 0.6717492799159808
Energy: 0.6295403974275862
Energy: 0.6512536374567294
Energy: 0.6588077336558379
Energy: 0.6977603197556488
Energy: 0.6568878814803351
Energy: 0.6514773295921829
Energy: 0.6423025101631011
Energy: 0.6977603197551898
Energy: 0.6568878814798762
Energy: 0.6514773295935594
Energy: 0.6295577029208383
Energy: 0.6433192197730254
Energy: 0.6527279113791222
Energy: 0.6921503472352779
Energy: 0.6295577029203795
Energy: 0.6433192197734843
Energy: 0.6527279113772867
Energy: 0.6979989282086605
Energy: 0.6571763081286012
Energy: 0.6455416830501673
Energy: 0.6424338004696548
Energy: 0.6979989282082016
Energy: 0.6571763081286012
Energy: 0.6455416830400729

minimum gb energy = 0.6267232411807715 eV
minimum distance =  2.58193733028619 Angstroms
sigma value = 113


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

Energy: 0.6737471402947052
Energy: 0.7076441452008547
Energy: 0.6791258566704819
Energy: 0.7061610169684027
Energy: 0.6737471402954965
Energy: 0.7076441452034155
Energy: 0.6791258566725306
Energy: 0.7095942093836695
Energy: 0.687992557863448
Energy: 0.6664655401486919
Energy: 0.6979610224608817
Energy: 0.7095942093844609
Energy: 0.6879925578632152
Energy: 0.6664655401510199
Energy: 0.6821815570123518
Energy: 0.6930162696524007
Energy: 0.7096906405113217
Energy: 0.6811461801915676
Energy: 0.6821815570087667
Energy: 0.6930162696539371
Energy: 0.7096906405141153
Energy: 0.6639404379005182
Energy: 0.6919418362750239
Energy: 0.7217876975488414
Energy: 0.6760339232813846
Energy: 0.6639404379002389
Energy: 0.6919418362732548
Energy: 0.72178769754805
Energy: 0.6826632456948585
Energy: 0.6476037248253057
Energy: 0.6783925764495841
Energy: 0.6682550533836676
Energy: 0.6826632456933219
Energy: 0.6476037248245607
Energy: 0.6783925764493512
Energy: 0.6534660547080823
Energy: 0.6942281418843358
Energy: 0.7469945274558435
Energy: 0.6500655811506455
Energy: 0.6534660547080823
Energy: 0.6942281418830323
Energy: 0.7469945274540277
Energy: 0.6547324629221416
Energy: 0.645056123605014
Energy: 0.6859427955535542
Energy: 0.6600923129285002
Energy: 0.6547324629244696
Energy: 0.6450561236052469
Energy: 0.6859427955538334
Energy: 0.6547924954413301
Energy: 0.6792602518133957
Energy: 0.7280893495595593
Energy: 0.6576796392610996
Energy: 0.654792495440818
Energy: 0.6792602518118592
Energy: 0.72808934955928
Energy: 0.6476700106687187
Energy: 0.6579004686927435
Energy: 0.7070387085803276
Energy: 0.6615141662069078
Energy: 0.6476700106666701
Energy: 0.6579004686937678
Energy: 0.7070387085810725
Energy: 0.637277064340064
Energy: 0.6706251452231575
Energy: 0.7064183953087331
Energy: 0.6637029234270894
Energy: 0.637277064340064
Energy: 0.6706251452228782
Energy: 0.7064183953100367
Energy: 0.6595155463132711
Energy: 0.671839802676482
Energy: 0.7280264224143027
Energy: 0.6643273937182481
Energy: 0.6595155463165769
Energy: 0.6718398026749455
Energy: 0.7280264224112298
Energy: 0.6445532885832989
Energy: 0.6690715126570022
Energy: 0.7225558178291631
Energy: 0.6650087849682632
Energy: 0.6445532885820419
Energy: 0.6690715126582594
Energy: 0.7225558178266022
Energy: 0.6670760468582313
Energy: 0.6677024959048938
Energy: 0.7201968737410891
Energy: 0.6708237790351713
Energy: 0.6670760468579986
Energy: 0.6677024959048938
Energy: 0.7201968737431377
Energy: 0.671088508132884
Energy: 0.7110183944053076
Energy: 0.7453993453115033
Energy: 0.6974843807149007
Energy: 0.6710885081320924
Energy: 0.7110183944050747
Energy: 0.7453993453122483
Energy: 0.6675631094297222
Energy: 0.6662264817062564
Energy: 0.7411372307995245
Energy: 0.6852701208163637
Energy: 0.6675631094294896
Energy: 0.6662264817044407
Energy: 0.7411372308015731
Energy: 0.6726447526476719
Energy: 0.6756156844294025
Energy: 0.7169600960795451
Energy: 0.6767423014421357
Energy: 0.672644752650512
Energy: 0.6756156844275866
Energy: 0.7169600960795451
Energy: 0.7046830171248433
Energy: 0.6659575626460414
Energy: 0.7446101437921568
Energy: 0.6590514705781086
Energy: 0.7046830171243312
Energy: 0.665957562645017
Energy: 0.744610143793181
Energy: 0.6354972781163623
Energy: 0.6675488683181063
Energy: 0.7130949079528466
Energy: 0.6587739478138105
Energy: 0.6354972781163623
Energy: 0.6675488683142885
Energy: 0.7130949079525672
Energy: 0.7046288520833474
Energy: 0.6823442895731878
Energy: 0.7290566651616909
Energy: 0.6888392812880934
Energy: 0.7046288520836268
Energy: 0.6823442895709062
Energy: 0.7290566651619702
Energy: 0.6382634889717584
Energy: 0.6759846037517915
Energy: 0.7028702031236506
Energy: 0.6314747813201731
Energy: 0.6382634889679406
Energy: 0.6759846037487187
Energy: 0.7028702031223469
Energy: 0.6473796670296379
Energy: 0.6452478298658487
Energy: 0.7234618316761701
Energy: 0.691480894544882
Energy: 0.6473796670306623
Energy: 0.6452478298638
Energy: 0.7234618316748664
Energy: 0.6350219162979289
Energy: 0.6607799392532077
Energy: 0.687449701007572
Energy: 0.6471904845621682
Energy: 0.6350219162946232
Energy: 0.6607799392534404
Energy: 0.6874497010096207
Energy: 0.648079264057503
Energy: 0.6446095386895114
Energy: 0.7319255521767061
Energy: 0.6959221957704788
Energy: 0.6480792640593188
Energy: 0.6446095386889993
Energy: 0.7319255521764731
Energy: 0.6706398834537676
Energy: 0.6639885059468703
Energy: 0.7003128641899511
Energy: 0.659665282118115
Energy: 0.6706398834532553
Energy: 0.6639885059430524
Energy: 0.7003128641904632
Energy: 0.6616258633682185
Energy: 0.6738001930657683
Energy: 0.6706473741451654
Energy: 0.7234705066130295
Energy: 0.6616258633677063
Energy: 0.6738001930696327
Energy: 0.6706473741441411
Energy: 0.6721038130182343
Energy: 0.7057955678539463
Energy: 0.6966515486785749
Energy: 0.6702309236368903
Energy: 0.672103813018467
Energy: 0.7057955678549704
Energy: 0.6966515486777834
Energy: 0.6973949183577467
Energy: 0.6700620917851051
Energy: 0.65652061064858
Energy: 0.7399252842172781
Energy: 0.6973949183569551
Energy: 0.6700620917863622
Energy: 0.6565206106470437
Energy: 0.6812123742147772
Energy: 0.7264264850108818
Energy: 0.7193932608351538
Energy: 0.7087131445674912
Energy: 0.6812123742158014
Energy: 0.7264264850108818
Energy: 0.719393260839996
Energy: 0.7094358814243069
Energy: 0.6703786174271983
Energy: 0.7020246528587283
Energy: 0.7374203487860328
Energy: 0.7094358814243069
Energy: 0.6703786174284554
Energy: 0.702024652855888
Energy: 0.6654161506127751
Energy: 0.6989063957534686
Energy: 0.6935693948220778
Energy: 0.6950492018741142
Energy: 0.665416150612263
Energy: 0.6989063957532358
Energy: 0.6935693948220778
Energy: 0.6671860410155995
Energy: 0.6742087409450203
Energy: 0.7171295222255758
Energy: 0.705527714352167
Energy: 0.6671860410184397
Energy: 0.674208740943996
Energy: 0.7171295222243187
Energy: 0.6637781499793465
Energy: 0.6470415597259851
Energy: 0.6771930422959964
Energy: 0.6710513526738926
Energy: 0.66377814997781
Energy: 0.6470415597262645
Energy: 0.6771930422959964
Energy: 0.648881501312087
Energy: 0.667105846731288
Energy: 0.7412801526235985
Energy: 0.6834762665577867
Energy: 0.648881501311575
Energy: 0.6671058467307759
Energy: 0.7412801526210376
Energy: 0.6508842667781077
Energy: 0.6469656864319064
Energy: 0.669707640465405
Energy: 0.6480420393767828
Energy: 0.6508842667788993
Energy: 0.6469656864324186
Energy: 0.6697076404674536
Energy: 0.6500797577168351
Energy: 0.6443130390868111
Energy: 0.7307072935848417
Energy: 0.6833525687840617
Energy: 0.6500797577129707
Energy: 0.6443130390837848
Energy: 0.7307072935794873
Energy: 0.6438076534506768
Energy: 0.6539253618908974
Energy: 0.664596831549236
Energy: 0.6382482346973225
Energy: 0.643807653451934
Energy: 0.6539253618906181
Energy: 0.664596831549981
Energy: 0.6490642823127726
Energy: 0.6542633062161591
Energy: 0.7072926567239635
Energy: 0.681679418516781
Energy: 0.6490642823130055
Energy: 0.6542633062184405
Energy: 0.7072926567203784
Energy: 0.6607296120303326
Energy: 0.6474547530150416
Energy: 0.6931905521499587
Energy: 0.6633291051532229
Energy: 0.6607296120306119
Energy: 0.6474547530150416
Energy: 0.6931905521507503
Energy: 0.6626705816320311
Energy: 0.6664740993772668
Energy: 0.7448264265631469
Energy: 0.6821301603358215
Energy: 0.6626705816310068
Energy: 0.666474099375963
Energy: 0.7448264265610982
Energy: 0.649549674593022
Energy: 0.6755224645196102
Energy: 0.7060599767354842
Energy: 0.6680662196956855
Energy: 0.6495496745904613
Energy: 0.6755224645196102
Energy: 0.7060599767354842
Energy: 0.6844138371059026
Energy: 0.6664871891670372
Energy: 0.7348708566894071
Energy: 0.6958599035583751
Energy: 0.6844138371036212
Energy: 0.6664871891660127
Energy: 0.7348708566873584
Energy: 0.6494974337785671
Energy: 0.6621916715567555
Energy: 0.7488826972205026
Energy: 0.7029129454334753
Energy: 0.6494974337785671
Energy: 0.6621916715572677
Energy: 0.7488826972189662
Energy: 0.6733281821139404
Energy: 0.6672609210852919
Energy: 0.7225202881448394
Energy: 0.6931824157043606
Energy: 0.6733281821152441
Energy: 0.667260921087061
Energy: 0.7225202881451186
Energy: 0.6872929792454195
Energy: 0.6629431601572051
Energy: 0.7433219071104044
Energy: 0.639966124006019
Energy: 0.6872929792469561
Energy: 0.6629431601594865
Energy: 0.7433219071073315
Energy: 0.647616190114524
Energy: 0.6686766173254388
Energy: 0.7097620895848453
Energy: 0.6745944236267992
Energy: 0.6476161901142446
Energy: 0.6686766173285117
Energy: 0.7097620895822846

minimum gb energy = 0.6314747813201731 eV
minimum distance =  2.52007973231392 Angstroms
sigma value = 365


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

Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.7055108972970082
Energy: 0.5225059893695007
Energy: 0.68003005572321
Energy: 0.522505989370078
Energy: 0.6169946160201977
Energy: 0.6800300557220553
Energy: 0.5225059893689232
Energy: 0.6030925236868904
Energy: 0.5225059893706554
Energy: 0.6800300557226325
Energy: 0.5225059893706554
Energy: 0.5439582477832471
Energy: 0.6800300557214779
Energy: 0.5225059893695007
Energy: 0.6421754446780222
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.5225059893706554
Energy: 0.6421754446791769
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.6661086617295616
Energy: 0.5225059893689232
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.6356442504818905
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.6520952743359686
Energy: 0.522505989370078
Energy: 0.68003005572321
Energy: 0.5225059893706554
Energy: 0.6039314188570071
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.6259763084246291
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.6570371650384372
Energy: 0.6800300557220553
Energy: 0.5225059893695007
Energy: 0.6162152001950955
Energy: 0.5225059893689232
Energy: 0.6800300557220553
Energy: 0.5225059893712327
Energy: 0.5924953082912519
Energy: 0.6800300557226325
Energy: 0.5225059893689232
Energy: 0.6288141341518749
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.5225059893706554
Energy: 0.6288141341512976
Energy: 0.6800300557220553
Energy: 0.522505989370078
Energy: 0.6036167210942242
Energy: 0.5225059893695007
Energy: 0.6800300557220553
Energy: 0.522505989370078
Energy: 0.6169946160196204
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.6172569775843078
Energy: 0.5225059893683458
Energy: 0.68003005572321
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.5225059893706554
Energy: 0.5924953082900971
Energy: 0.68003005572321
Energy: 0.522505989370078
Energy: 0.6169946160190429
Energy: 0.5225059893689232
Energy: 0.6800300557220553
Energy: 0.522505989370078
Energy: 0.6169946160196204
Energy: 0.6800300557220553
Energy: 0.5225059893689232
Energy: 0.5924953082906745
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.522505989370078
Energy: 0.6800300557220553
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.5924953082895198
Energy: 0.522505989370078
Energy: 0.6800300557220553
Energy: 0.5225059893695007
Energy: 0.5924953082906745
Energy: 0.6800300557220553
Energy: 0.5225059893695007
Energy: 0.5924953082906745
Energy: 0.522505989370078
Energy: 0.68003005572321
Energy: 0.522505989370078
Energy: 0.5924953082906745
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.5924953082906745
Energy: 0.522505989370078
Energy: 0.6800300557226325
Energy: 0.522505989370078
Energy: 0.5924953082900971
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.5924953082895198
Energy: 0.5225059893695007
Energy: 0.6800300557220553
Energy: 0.5225059893712327
Energy: 0.5924953082895198
Energy: 0.6800300557220553
Energy: 0.522505989370078
Energy: 0.5924953082900971
Energy: 0.5225059893695007
Energy: 0.6800300557226325
Energy: 0.5225059893695007
Energy: 0.5924953082895198
Energy: 0.6800300557220553
Energy: 0.5225059893695007
Energy: 0.5924953082900971
Energy: 0.5225059893706554
Energy: 0.6800300557226325
Energy: 0.5225059893689232
Energy: 0.5924953082900971

minimum gb energy = 0.5225059893683458 eV
minimum distance =  2.66146110285357 Angstroms
sigma value = 23