Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049994595348835
cohesive_energy=3.360264143322612
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: -5.87828410947289e-10 eV

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

Energy: 0.012673524352199378
Energy: 0.2323201953651332
Energy: 0.5835409050325002
Energy: 0.23231934662240167
Energy: 0.012673524352199378
Energy: 0.2323201953649292
Energy: 0.2749464328690439
Energy: 0.2745408592539454
Energy: 0.013095596302079335
Energy: 0.11043411637807349
Energy: 0.013015267941051218
Energy: 0.2745408592539454
Energy: 0.013095596301875326
Energy: 0.11043411637845885
Energy: 0.012673524352199378
Energy: 0.2323201953651332
Energy: 0.5835409050330895
Energy: 0.23231934662240167
Energy: 0.012673524352199378
Energy: 0.2323201953651332
Energy: 0.2749464328690439
Energy: 0.2745408592539454
Energy: 0.013095596301489978
Energy: 0.11043411637807349
Energy: 0.013015267941255227
Energy: 0.2745408592541494
Energy: 0.013095596302079335
Energy: 0.11043411637807349
Energy: 0.012673524352199378
Energy: 0.23232019536533718
Energy: 0.6561459002208859
Energy: 0.23231934662240167
Energy: 0.012673524352199378
Energy: 0.2323201953651332
Energy: 0.2749464328690439
Energy: 0.2745408592539454
Energy: 0.013095596302079335
Energy: 0.11043411637807349
Energy: 0.013015267941255227
Energy: 0.2745408592539454
Energy: 0.013095596302079335
Energy: 0.11043411637845885

minimum gb energy = 0.012673524352199378 eV
minimum distance =  2.83559056964838 Angstroms
sigma value = 5


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

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Energy: 0.6068856995402551
Energy: 0.6224278285558715
Energy: 0.6070068453638158
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Energy: 0.6191492316224821
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Energy: 0.5567380979672661
Energy: 0.6229729674779793
Energy: 0.5671878018961171
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Energy: 0.5567380979672661
Energy: 0.6229729674779793
Energy: 0.5666727453419709
Energy: 0.5586706849018224
Energy: 0.6081658626511071
Energy: 0.5762241745398098
Energy: 0.5666727453419709
Energy: 0.5586706849042593
Energy: 0.6081658626511071
Energy: 0.5286119527857096
Energy: 0.5462730153476769
Energy: 0.6112886637008839
Energy: 0.5475329277468078
Energy: 0.5286119527857096
Energy: 0.5462730153476769
Energy: 0.6112886637008839
Energy: 0.5385563924545274
Energy: 0.5705511902899133
Energy: 0.6496292079854479
Energy: 0.574891495602476
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Energy: 0.5868285893078259
Energy: 0.5416549596517434
Energy: 0.5293616283398727
Energy: 0.5672527917391769
Energy: 0.5868285893078259

minimum gb energy = 0.5286119527857096 eV
minimum distance =  2.54801664806276 Angstroms
sigma value = 401


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

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Energy: 0.5555135099085033
Energy: 0.6454592926364159
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Energy: 0.6281129697038733
Energy: 0.5538275328881225
Energy: 0.5581281101278147
Energy: 0.5510889127303813
Energy: 0.6281129697041247
Energy: 0.5392950148276437
Energy: 0.5513502484695578
Energy: 0.5897754908187399
Energy: 0.5522638656183058
Energy: 0.5392950148278953
Energy: 0.551350248470111
Energy: 0.5529853079917721
Energy: 0.5496490043730357
Energy: 0.5844887181947833
Energy: 0.5477543174645962
Energy: 0.5521462730116632
Energy: 0.5496490043727339
Energy: 0.5844887181958898
Energy: 0.547754317463188
Energy: 0.55033632140486
Energy: 0.5923957809203416
Energy: 0.5713103567986043
Energy: 0.5520467451997257
Energy: 0.550336321405715
Energy: 0.5923957809197884
Energy: 0.5713103567994091
Energy: 0.5402926688606629
Energy: 0.5465084996469627
Energy: 0.6084214361997947
Energy: 0.5572067586756817
Energy: 0.5402926688609144
Energy: 0.5465084996472643
Energy: 0.6321709734478267
Energy: 0.5447243339574246
Energy: 0.5439057185350866
Energy: 0.6134839540911232
Energy: 0.5528084637383864
Energy: 0.5447243339568714
Energy: 0.5439057185350866
Energy: 0.6138725048042533
Energy: 0.590432754713306
Energy: 0.5555135099096099
Energy: 0.647242641390402
Energy: 0.5536282437298686
Energy: 0.5904327547130545
Energy: 0.5555135099096099
Energy: 0.6472426413909553
Energy: 0.5382912461753149
Energy: 0.5921654644088925
Energy: 0.6150564618166673
Energy: 0.5516590676755079
Energy: 0.5382912461753149
Energy: 0.5921654644091439
Energy: 0.6205290519735476

minimum gb energy = 0.5338101390699953 eV
minimum distance =  2.57567450974944 Angstroms
sigma value = 311


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

Energy: 0.5961374117910534
Energy: 0.5426356365190687
Energy: 0.6707082911588857
Energy: 0.5386945159038027
Energy: 0.5961374117910534
Energy: 0.5426356365190687
Energy: 0.6245977625374834
Energy: 0.5885936577838118
Energy: 0.5652375304396962
Energy: 0.6074791401269481
Energy: 0.5739575173671883
Energy: 0.5885936577838118
Energy: 0.565237530438738
Energy: 0.6074791401272674
Energy: 0.5523425320073588
Energy: 0.5634500339835863
Energy: 0.6592902601242171
Energy: 0.5537726603678546
Energy: 0.5523425320070394
Energy: 0.5634500339835863
Energy: 0.6172325874836451
Energy: 0.5561972561004082
Energy: 0.5474990117823225
Energy: 0.6273486782115895
Energy: 0.5575753891358856
Energy: 0.5561972561000887
Energy: 0.5474990117826419
Energy: 0.6273486782119089
Energy: 0.5584564242795403
Energy: 0.54089948713401
Energy: 0.6028501554213321
Energy: 0.5498132571539986
Energy: 0.5584564242795403
Energy: 0.54089948713401
Energy: 0.5758310534004163
Energy: 0.5502887611279048
Energy: 0.5476564653677314
Energy: 0.6007521274891755
Energy: 0.5587401306050147
Energy: 0.5502887611282242
Energy: 0.5476564653674121
Energy: 0.6007521274891755
Energy: 0.5561441550001978
Energy: 0.5807304113342917
Energy: 0.603535372822836
Energy: 0.5700287984979191
Energy: 0.5561441550001978
Energy: 0.5807304113342917
Energy: 0.6026885261255317
Energy: 0.5551945295242157
Energy: 0.5405378262096163
Energy: 0.6543228265159848
Energy: 0.5416115708335818
Energy: 0.5551945295245351
Energy: 0.5405378262102551
Energy: 0.6543228265156655
Energy: 0.5563612263331009
Energy: 0.5459048063825852
Energy: 0.672834603610442
Energy: 0.5416915674140713
Energy: 0.5563612263331009
Energy: 0.5459048063822657
Energy: 0.672834603610442
Energy: 0.5481155549500174
Energy: 0.5637141614155293
Energy: 0.6389594958240431
Energy: 0.5805581968821638
Energy: 0.5481155549503367
Energy: 0.5637141614155293
Energy: 0.6389594958237239
Energy: 0.5836329041123121
Energy: 0.5711406857579376
Energy: 0.6145890698856661
Energy: 0.5517497383902724
Energy: 0.5836329041123121
Energy: 0.5711406857576182
Energy: 0.6145890698856661
Energy: 0.554187039168137
Energy: 0.5576029348091932
Energy: 0.604040287534295
Energy: 0.5502931153123989
Energy: 0.554187039168137
Energy: 0.5576029348091932
Energy: 0.6040402875502513
Energy: 0.5547196602757971
Energy: 0.5378992091477109
Energy: 0.6134635912132128
Energy: 0.5516468216491016
Energy: 0.5547196602757971
Energy: 0.5378992091477109
Energy: 0.6134635912135321
Energy: 0.5445713250412539
Energy: 0.5601777457638546
Energy: 0.6338072874141214
Energy: 0.5476506678452128
Energy: 0.5445713250412539
Energy: 0.5601777457638546
Energy: 0.6338072874138019
Energy: 0.5564668566845344
Energy: 0.5484614725017175
Energy: 0.6402562500591334
Energy: 0.5714622776221369
Energy: 0.5564668566845344
Energy: 0.5484614725023563
Energy: 0.6402562500591334
Energy: 0.5498783689163071
Energy: 0.5498059102798293
Energy: 0.607092428301193
Energy: 0.5774395227655854
Energy: 0.5498783689163071
Energy: 0.54980591027951
Energy: 0.607092428301193
Energy: 0.592162757199307
Energy: 0.5517700318533412
Energy: 0.6276162010349672
Energy: 0.5627263504190116
Energy: 0.592162757199307
Energy: 0.5517700318527025
Energy: 0.6276162010349672
Energy: 0.5492667201570286
Energy: 0.5852148448158273
Energy: 0.6495271872673299
Energy: 0.570348052363364
Energy: 0.5492667201570286
Energy: 0.5852148448151885
Energy: 0.6495271872673299
Energy: 0.5545282205110835
Energy: 0.5417562336019708
Energy: 0.6566401300688703
Energy: 0.5417959510827997
Energy: 0.5545282205110835
Energy: 0.5417562336022902
Energy: 0.6566401300685509
Energy: 0.5470167726612235
Energy: 0.5459552356863893
Energy: 0.6538263814251252
Energy: 0.5403869384247258
Energy: 0.5470167726612235
Energy: 0.5459552356863893
Energy: 0.6538263814248058
Energy: 0.5547880777355852
Energy: 0.5546107193596442
Energy: 0.6148076846565139
Energy: 0.5809161920535305
Energy: 0.5547880777362241
Energy: 0.5546107193596442
Energy: 0.6238507290370882
Energy: 0.5438108111576154
Energy: 0.5651646435956591
Energy: 0.6017206249699277
Energy: 0.5441138183397984
Energy: 0.5438108111576154
Energy: 0.5651646435962978
Energy: 0.6017206249699277
Energy: 0.5845332310683101
Energy: 0.5498111544112206
Energy: 0.6255426302205627
Energy: 0.5406468482304981
Energy: 0.5845332310683101
Energy: 0.5498111544112206
Energy: 0.6255426302205627
Energy: 0.5568135497018609
Energy: 0.5507007824961473
Energy: 0.6202415277895844
Energy: 0.551977087258266
Energy: 0.5568135497018609
Energy: 0.5507007824961473
Energy: 0.6202415277892649
Energy: 0.5500729078088848
Energy: 0.5473696831630069
Energy: 0.6241430078249677
Energy: 0.5545242832104708
Energy: 0.5500729078092043
Energy: 0.5473696831630069
Energy: 0.6241430078249677
Energy: 0.5790748551857283
Energy: 0.575614400337096
Energy: 0.6199938918121229
Energy: 0.5752348767272961
Energy: 0.5790748551857283
Energy: 0.575614400337096
Energy: 0.6199938918121229
Energy: 0.5870752664345577
Energy: 0.5377788324027267
Energy: 0.6479779829646294
Energy: 0.5384574784730444
Energy: 0.5870752664345577
Energy: 0.5377788324030461
Energy: 0.6230820468509545
Energy: 0.588497526565853
Energy: 0.54571670786908
Energy: 0.6086614238345699
Energy: 0.5594962143051143
Energy: 0.5884975265661723
Energy: 0.5457167078687605
Energy: 0.6086614238345699
Energy: 0.5607224701776837
Energy: 0.5596979846770158
Energy: 0.6264079215547654
Energy: 0.5498874637671575
Energy: 0.5607224701773643
Energy: 0.5596979846766964
Energy: 0.6264079215544461
Energy: 0.5598566909920037
Energy: 0.5420339414709797
Energy: 0.6344123641822557
Energy: 0.5508822597893833
Energy: 0.559856690992323
Energy: 0.5420339414709797
Energy: 0.6344123641822557
Energy: 0.568080929899942
Energy: 0.5421059992188078
Energy: 0.5960817776677249
Energy: 0.553427317360175
Energy: 0.568080929899942
Energy: 0.5421059992184883
Energy: 0.6000489241705652
Energy: 0.5427690286645885
Energy: 0.5510518390454743
Energy: 0.5891671969367653
Energy: 0.5688799558303387
Energy: 0.5427690286649081
Energy: 0.5510518390454743
Energy: 0.5891671969367653
Energy: 0.5548120637238076
Energy: 0.5810762380678941
Energy: 0.6207854112102753
Energy: 0.5676461204411476
Energy: 0.5548120637238076
Energy: 0.5810762380678941
Energy: 0.6215599990387136
Energy: 0.5474950758760498
Energy: 0.5408929176568625
Energy: 0.6536849080809457
Energy: 0.5454505888335314
Energy: 0.5474950758757304
Energy: 0.5408929176568625
Energy: 0.6536849080809457
Energy: 0.563924934485545
Energy: 0.5417057594471238
Energy: 0.6625088023379242
Energy: 0.5438766598062504
Energy: 0.563924934485545
Energy: 0.5417057594468044
Energy: 0.6763200604067348
Energy: 0.5447918674239208
Energy: 0.566379816068498
Energy: 0.6408822305035253
Energy: 0.5896569396993311
Energy: 0.5447918674239208
Energy: 0.566379816068498
Energy: 0.6408822305035253

minimum gb energy = 0.5377788324027267 eV
minimum distance =  2.53055384251936 Angstroms
sigma value = 39


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

Energy: 0.5241187201842334
Energy: 0.5394388429077144
Energy: 0.6114222025974638
Energy: 0.5394424656820274
Energy: 0.5241187201838564
Energy: 0.5394388429080913
Energy: 0.5653784519096371
Energy: 0.5159631898249804
Energy: 0.5652999827206864
Energy: 0.5396057348826353
Energy: 0.5655840153503593
Energy: 0.5159631898257343
Energy: 0.5652999827203096
Energy: 0.5396057348837663
Energy: 0.5237405616914901
Energy: 0.5015987153069031
Energy: 0.5563765464960156
Energy: 0.5280324902873035
Energy: 0.5237405616911132
Energy: 0.5015987153076571
Energy: 0.5563765464960156
Energy: 0.5270834989612909
Energy: 0.5670608590797556
Energy: 0.5397230316303966
Energy: 0.5488621503057306
Energy: 0.5270834989612909
Energy: 0.5670608590797556
Energy: 0.5397230316307735
Energy: 0.568904011400207
Energy: 0.5270258220682259
Energy: 0.5264721585168426
Energy: 0.5282356466228665
Energy: 0.568904011400207
Energy: 0.5270258220678489
Energy: 0.5379619248339655
Energy: 0.5270244800190671
Energy: 0.5508507115207576
Energy: 0.5991171555879299
Energy: 0.5484570366775547
Energy: 0.5270244800186901
Energy: 0.5508507115211345
Energy: 0.5991171555879299
Energy: 0.6132034811223976
Energy: 0.5278480186794196
Energy: 0.5833884026077152
Energy: 0.5276372870764556
Energy: 0.6132034811220207
Energy: 0.5278480186805505
Energy: 0.5677146775382058
Energy: 0.5384934841311049
Energy: 0.5337165999473924
Energy: 0.5988469769139108
Energy: 0.5336637664109223
Energy: 0.5384934841311049
Energy: 0.5337165999473924
Energy: 0.5988469769142879
Energy: 0.6133535466082597
Energy: 0.5276599794582582
Energy: 0.5706237811044873
Energy: 0.5278829794941718
Energy: 0.6133535466082597
Energy: 0.5276599794582582
Energy: 0.5788132578466195
Energy: 0.5270315909201833
Energy: 0.5484521380193818
Energy: 0.5993080560020142
Energy: 0.5509404810508155
Energy: 0.5270315909198062
Energy: 0.5484521380186278
Energy: 0.5993080560020142
Energy: 0.568967934478232
Energy: 0.5281099879302736
Energy: 0.5549041315554849
Energy: 0.5272425943826826
Energy: 0.5689679344778552
Energy: 0.5281099879298966
Energy: 0.5668530902064909
Energy: 0.5270686143079124
Energy: 0.5488081703035361
Energy: 0.5397816010894486
Energy: 0.5653086444139527
Energy: 0.5270686143075355
Energy: 0.5488081703035361
Energy: 0.5397816010890717
Energy: 0.5238962290116128
Energy: 0.5280428321418148
Energy: 0.5647896234531495
Energy: 0.5015543800436647
Energy: 0.5238962290119897
Energy: 0.528042832141438
Energy: 0.5585115958152544
Energy: 0.5158581121082234
Energy: 0.5654360261856575
Energy: 0.5397515368743893
Energy: 0.5652876655106077
Energy: 0.5158581121082234
Energy: 0.5654360261852805
Energy: 0.5397515368740123
Energy: 0.5241187201834795
Energy: 0.5394388429077144
Energy: 0.6222300798038061
Energy: 0.5394424656816504
Energy: 0.5241187201838564
Energy: 0.5394388429080913
Energy: 0.608341789876324
Energy: 0.5159631898253573
Energy: 0.5652999827203096
Energy: 0.5396057348822584
Energy: 0.5655840153507362
Energy: 0.5159631898261112
Energy: 0.5652999827206864
Energy: 0.5396057348833893
Energy: 0.5237405616911132
Energy: 0.5015987153076571
Energy: 0.5563765464956387
Energy: 0.5280324902873035
Energy: 0.5237405616911132
Energy: 0.5015987153076571
Energy: 0.5563765464960156
Energy: 0.5270834989612909
Energy: 0.5670608590793788
Energy: 0.5397230316303966
Energy: 0.5488621503057306
Energy: 0.5270834989612909
Energy: 0.5670608590812636
Energy: 0.5397230316303966
Energy: 0.5689040113971913
Energy: 0.5270258220682259
Energy: 0.5264721585232512
Energy: 0.5282356466224896
Energy: 0.5689040113971913
Energy: 0.5270258220682259
Energy: 0.5264721585232512
Energy: 0.5270244800186901
Energy: 0.5508507115203807
Energy: 0.5991171555883068
Energy: 0.5484570366775547
Energy: 0.5270244800183131
Energy: 0.5508507115207576
Energy: 0.5991171555886837
Energy: 0.6132034811216436
Energy: 0.5278480186797966
Energy: 0.562677754896811
Energy: 0.5276372870768324
Energy: 0.6132034811212667
Energy: 0.5278480186801735
Energy: 0.5686988415134178
Energy: 0.538493484128466
Energy: 0.5337165999470154
Energy: 0.5988469769127799
Energy: 0.5336637664112992
Energy: 0.538493484128466
Energy: 0.5337165999473924
Energy: 0.598846976913534
Energy: 0.6133535466082597
Energy: 0.5276599794582582
Energy: 0.5380227526063528
Energy: 0.5278829794937948
Energy: 0.6133535466082597
Energy: 0.5276599794578812
Energy: 0.5380227526067298
Energy: 0.5270315909201833
Energy: 0.5484521380186278
Energy: 0.5993080560016373
Energy: 0.5509404810504386
Energy: 0.5270315909201833
Energy: 0.5484521380193818
Energy: 0.5993080560016373
Energy: 0.568967934478609
Energy: 0.5281099879302736
Energy: 0.5619525233118714
Energy: 0.5272425943826826
Energy: 0.5689679344778552
Energy: 0.5281099879302736
Energy: 0.5668530902061139
Energy: 0.5270686143082893
Energy: 0.5488081703035361
Energy: 0.5397816010890717
Energy: 0.5653086444139527
Energy: 0.5270686143079124
Energy: 0.5488081703035361
Energy: 0.5397816010886947
Energy: 0.5238962290116128
Energy: 0.5280428321421918
Energy: 0.5585115958163853
Energy: 0.5015543800432877
Energy: 0.5238962290119897
Energy: 0.528042832141438
Energy: 0.5585115958175162
Energy: 0.5158581121082234
Energy: 0.5654360261856575
Energy: 0.5397515368740123
Energy: 0.5652876655106077
Energy: 0.5158581121082234
Energy: 0.5654360261849035
Energy: 0.5397515368743893
Energy: 0.5241187201834795
Energy: 0.5394388429077144
Energy: 0.5653784519126529
Energy: 0.5394424656820274
Energy: 0.5241187201834795
Energy: 0.5394388429084682
Energy: 0.5653784519134069
Energy: 0.5159631898253573
Energy: 0.5652999827206864
Energy: 0.5396057348826353
Energy: 0.5655840153503593
Energy: 0.5159631898261112
Energy: 0.5652999827203096
Energy: 0.5396057348830123

minimum gb energy = 0.5015543800432877 eV
minimum distance =  2.6114303704212 Angstroms
sigma value = 21


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

Energy: 0.5774597984257105
Energy: 0.5985030079328252
Energy: 0.6128570931339459
Energy: 0.6007770929925738
Energy: 0.5774597984257105
Energy: 0.5985030079328252
Energy: 0.6038293240699377
Energy: 0.549592028212727
Energy: 0.525868881019043
Energy: 0.5810012678632992
Energy: 0.5659359437631782
Energy: 0.549592028212727
Energy: 0.5258688810195008
Energy: 0.5810012678632992
Energy: 0.535726304042918
Energy: 0.5612914175712433
Energy: 0.5905599353620894
Energy: 0.5483073398390664
Energy: 0.535726304042918
Energy: 0.5612914175712433
Energy: 0.5905599353620894
Energy: 0.5458946944610005
Energy: 0.5263573639889463
Energy: 0.6275719704088693
Energy: 0.5356100205485427
Energy: 0.5458946944610005
Energy: 0.5263573639903192
Energy: 0.627571970409327
Energy: 0.5333576395354234
Energy: 0.5590884131766146
Energy: 0.5626800931552529
Energy: 0.5304705880856921
Energy: 0.533357639535881
Energy: 0.5590884131766146
Energy: 0.5820536631193907
Energy: 0.5425495765540881
Energy: 0.5275802894234729
Energy: 0.5569030851570946
Energy: 0.5405214881415283
Energy: 0.5425495765540881
Energy: 0.5275802894234729
Energy: 0.5569030851570946
Energy: 0.5434362707406225
Energy: 0.552233513588026
Energy: 0.577679344327197
Energy: 0.5368022419566012
Energy: 0.5434362707406225
Energy: 0.552233513588026
Energy: 0.5814834790834087
Energy: 0.5477122113801017
Energy: 0.5218599295609178
Energy: 0.5529027153279092
Energy: 0.5504685860676392
Energy: 0.5477122113796442
Energy: 0.52185992956046
Energy: 0.5529027153274516
Energy: 0.5434215785417108
Energy: 0.5423814370123787
Energy: 0.5729716054139647
Energy: 0.542870829870678
Energy: 0.5434215785417108
Energy: 0.5423814370123787
Energy: 0.5729716054144224
Energy: 0.5584708912573842
Energy: 0.5280643823034918
Energy: 0.5726819334364275
Energy: 0.5681578629591245
Energy: 0.5584708912573842
Energy: 0.5280643823034918
Energy: 0.5726819334359698
Energy: 0.5422530993602127
Energy: 0.5442413036730748
Energy: 0.5618395316844343
Energy: 0.5316745022317224
Energy: 0.5422530993597551
Energy: 0.5442413036726171
Energy: 0.5461212490115283
Energy: 0.5194436074239008
Energy: 0.5416245354969178
Energy: 0.5607316745825649
Energy: 0.5441896573583005
Energy: 0.5194436074239008
Energy: 0.5416245354969178
Energy: 0.5607316745830225
Energy: 0.541887968205417
Energy: 0.5445478451219102
Energy: 0.5881687022138279
Energy: 0.5356398263858402
Energy: 0.541887968205417
Energy: 0.5445478451219102
Energy: 0.5543238933583953
Energy: 0.5102874033910133
Energy: 0.5553510390303841
Energy: 0.5558917857112776
Energy: 0.5354373025853965
Energy: 0.5102874033910133
Energy: 0.5553510390303841
Energy: 0.5558917857112776
Energy: 0.5715581981949709
Energy: 0.5117419742072612
Energy: 0.5668880343375657
Energy: 0.5422523157257183
Energy: 0.5715581981949709
Energy: 0.5117419742068036
Energy: 0.5668880343375657
Energy: 0.5270412695697009
Energy: 0.5616995163299858
Energy: 0.5574032433996696
Energy: 0.5659233815902145
Energy: 0.5270412695697009
Energy: 0.5616995163299858
Energy: 0.5574032433996696
Energy: 0.5413516705700977
Energy: 0.5404480311146896
Energy: 0.6232572402394105
Energy: 0.5712542140463802
Energy: 0.5413516705700977
Energy: 0.5404480311146896
Energy: 0.6232572402394105
Energy: 0.505488951625054
Energy: 0.5431893836380561
Energy: 0.5408578651066235
Energy: 0.5468781681282048
Energy: 0.505488951625054
Energy: 0.5431893836380561
Energy: 0.5408578651130301
Energy: 0.5423567514692155
Energy: 0.5392291653244241
Energy: 0.594379559051109
Energy: 0.5193836273276909
Energy: 0.5423567514692155
Energy: 0.5392291653239666
Energy: 0.594379559051109
Energy: 0.5054048012438617
Energy: 0.5445718195831747
Energy: 0.5411264874244031
Energy: 0.5460630926506782
Energy: 0.5054048012438617
Energy: 0.5445718195831747
Energy: 0.5411264874244031
Energy: 0.5436557260486831
Energy: 0.5325019236739007
Energy: 0.5687989901293029
Energy: 0.5404266322097101
Energy: 0.5436557260482253
Energy: 0.5325019236739007
Energy: 0.5687989901288454
Energy: 0.5052130476682773
Energy: 0.5500502173323639
Energy: 0.540756150830923
Energy: 0.5370824615950462
Energy: 0.5052130476682773
Energy: 0.5500502173319064
Energy: 0.540756150830923
Energy: 0.5713593506416623
Energy: 0.5321396207402639
Energy: 0.581923284893128
Energy: 0.548718941106367
Energy: 0.5713593506416623
Energy: 0.5321396207398064
Energy: 0.581923284893128
Energy: 0.5050819633821497
Energy: 0.5646045795944218
Energy: 0.560454000859842
Energy: 0.5617313034254534
Energy: 0.5050819633821497
Energy: 0.564604579593964
Energy: 0.560454000859842
Energy: 0.5715965924425104
Energy: 0.5320891988380594
Energy: 0.5641899724893807
Energy: 0.5603663533628871
Energy: 0.5715965924425104
Energy: 0.5320891988380594
Energy: 0.5595734027435353

minimum gb energy = 0.5050819633821497 eV
minimum distance =  2.58404698496532 Angstroms
sigma value = 113


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

Energy: 0.5647245998941723
Energy: 0.5813214201344261
Energy: 0.5843322877632243
Energy: 0.5813000683648644
Energy: 0.5647245999291391
Energy: 0.5813214201349369
Energy: 0.6067755031527687
Energy: 0.5813508598967685
Energy: 0.5653006139049767
Energy: 0.6337310031896237
Energy: 0.5838405267188795
Energy: 0.5813508598967685
Energy: 0.5653006139044658
Energy: 0.6337310031893449
Energy: 0.5816846798228269
Energy: 0.5667431422041365
Energy: 0.6253189004401157
Energy: 0.5521003561738224
Energy: 0.5816846798223162
Energy: 0.5667431422046473
Energy: 0.6253189004408588
Energy: 0.5314722663491621
Energy: 0.5837019973273759
Energy: 0.6584157962638072
Energy: 0.5656193245574921
Energy: 0.5314722663491621
Energy: 0.5837019973273759
Energy: 0.6584157962640395
Energy: 0.5838658400887882
Energy: 0.524084293282783
Energy: 0.5865719517086853
Energy: 0.5438246845667551
Energy: 0.583865840088556
Energy: 0.524084293282783
Energy: 0.6009583524615222
Energy: 0.5174730972271137
Energy: 0.5601122322459808
Energy: 0.6224109617682859
Energy: 0.539790132389765
Energy: 0.5174730972273459
Energy: 0.5601122322457023
Energy: 0.6224109617687968
Energy: 0.5492570256329599
Energy: 0.523911547989852
Energy: 0.604545128142667
Energy: 0.5299907138403673
Energy: 0.5492570256329599
Energy: 0.523911547989852
Energy: 0.6223366312446643
Energy: 0.5170023927953601
Energy: 0.5565397770572839
Energy: 0.6293934268719351
Energy: 0.5428283968270827
Energy: 0.5170023927958708
Energy: 0.5565397770572839
Energy: 0.6293934268714242
Energy: 0.5454579602055685
Energy: 0.5297983144855607
Energy: 0.6251280235445072
Energy: 0.5241763230006543
Energy: 0.5454579602058471
Energy: 0.5297983144857928
Energy: 0.6288517133085083
Energy: 0.5171067965288068
Energy: 0.5359861608682095
Energy: 0.6487587729018534
Energy: 0.5394378536455953
Energy: 0.5171067965288068
Energy: 0.5359861608682095
Energy: 0.6487587729023642
Energy: 0.5568232565754185
Energy: 0.5489479715163719
Energy: 0.6405704617270525
Energy: 0.5297114551799297
Energy: 0.55682325657514
Energy: 0.5489479715161396
Energy: 0.6264541971476415
Energy: 0.531567962364041
Energy: 0.546068737063741
Energy: 0.6710680204496738
Energy: 0.5379070341855122
Energy: 0.531567962364041
Energy: 0.5460687370632301
Energy: 0.6710680204496738
Energy: 0.5796979896898075
Energy: 0.5606546152786857
Energy: 0.6543422441437405
Energy: 0.5467463665854931
Energy: 0.5796979896905504
Energy: 0.5606546152784071
Energy: 0.6543422441447622
Energy: 0.5795444106368564
Energy: 0.5860632355933107
Energy: 0.682175821399802
Energy: 0.5668035163126276
Energy: 0.5795444106363455
Energy: 0.5860632355933107
Energy: 0.6821758214000342
Energy: 0.5794993746551049
Energy: 0.5648113425581938
Energy: 0.6848964201464738
Energy: 0.5783119063736073
Energy: 0.5794993746545941
Energy: 0.5648113425587046
Energy: 0.6967064475640218
Energy: 0.5663139946041091
Energy: 0.5465443351809168
Energy: 0.6561839066152494
Energy: 0.5502525781314206
Energy: 0.5663139946041091
Energy: 0.5465443351819383
Energy: 0.6561839066165033
Energy: 0.5801511271830543
Energy: 0.5500904245695485
Energy: 0.6794887452060507
Energy: 0.533320406552575
Energy: 0.5801511271835651
Energy: 0.5500904245700593
Energy: 0.6975750140105729
Energy: 0.5255435725534559
Energy: 0.5305230047462655
Energy: 0.6065804772427265
Energy: 0.5382741272585632
Energy: 0.5255435725526664
Energy: 0.5305230047447332
Energy: 0.6065804772230372
Energy: 0.5772264239663817
Energy: 0.5577639197990345
Energy: 0.646122457151282
Energy: 0.5628247036337921
Energy: 0.5772264239663817
Energy: 0.5577639197988022
Energy: 0.6647135187661716
Energy: 0.5275985154146846
Energy: 0.5340695888614772
Energy: 0.596388208423649
Energy: 0.533657465317141
Energy: 0.5275985154146846
Energy: 0.5340695888611986
Energy: 0.5963882084195626
Energy: 0.5303440090977057
Energy: 0.5317415258728527
Energy: 0.624873595540685
Energy: 0.5671289004642737
Energy: 0.5303440090974271
Energy: 0.5317415258728527
Energy: 0.6180677861970629
Energy: 0.5333363341417445
Energy: 0.5367851613130894
Energy: 0.5866824003982464
Energy: 0.5349001807038009
Energy: 0.5333363341410016
Energy: 0.5367851613123
Energy: 0.5866824003972249
Energy: 0.5510596485056404
Energy: 0.5484952937094897
Energy: 0.6040350332193287
Energy: 0.5734919666094506
Energy: 0.5510596485053617
Energy: 0.5484952937105112
Energy: 0.6122183724361338
Energy: 0.5475629449038116
Energy: 0.531196808269276
Energy: 0.6394585529271074
Energy: 0.545802453110371
Energy: 0.5475629449038116
Energy: 0.5311968082689973
Energy: 0.6394585529278969
Energy: 0.5469890071269989
Energy: 0.5583336741652298
Energy: 0.6088548093489745
Energy: 0.6018537446182818
Energy: 0.5469890071272775
Energy: 0.5583336741642083
Energy: 0.6206082881782886
Energy: 0.539495199428664
Energy: 0.5724210867314434
Energy: 0.6390245561160611
Energy: 0.5619241114068315
Energy: 0.5394951994281532
Energy: 0.5724210867319542
Energy: 0.6390245561155504
Energy: 0.6073846456140861
Energy: 0.5546137358698757
Energy: 0.6606816077331799
Energy: 0.5982385435833091
Energy: 0.6073846456140861
Energy: 0.5546137358686218
Energy: 0.6487061393675079
Energy: 0.5559909536185085
Energy: 0.5885075192022681
Energy: 0.6603236983088775
Energy: 0.593519101056265
Energy: 0.5559909536190192
Energy: 0.5885075192022681
Energy: 0.6603236983086453
Energy: 0.608431866120931
Energy: 0.5551391676087648
Energy: 0.598668553212221
Energy: 0.6199298597131715
Energy: 0.6084318661211632
Energy: 0.5551391676077431
Energy: 0.5986685532124998
Energy: 0.5432800184510205
Energy: 0.5731614129765286
Energy: 0.635943652091557
Energy: 0.5688372959654164
Energy: 0.5432800184517635
Energy: 0.5731614129767607
Energy: 0.6359436520918357
Energy: 0.5674480774947394
Energy: 0.5582063295011469
Energy: 0.6333528174490367
Energy: 0.5942377342346347
Energy: 0.5674480774947394
Energy: 0.5582063295001253
Energy: 0.6333528174497798
Energy: 0.5423680948645355
Energy: 0.5299245207999373
Energy: 0.559454466518309
Energy: 0.5441509792461322
Energy: 0.5423680948642567
Energy: 0.5299245208002159
Energy: 0.5594544665193305
Energy: 0.5429981402490184
Energy: 0.5470900545991227
Energy: 0.630052904131753
Energy: 0.5503922387114761
Energy: 0.5429981402485076
Energy: 0.5470900545996334
Energy: 0.630052904131753
Energy: 0.5340720599425361
Energy: 0.5271874776606841
Energy: 0.5941917305471334
Energy: 0.5233563608319033
Energy: 0.5340720599415145
Energy: 0.5271874776606841
Energy: 0.5941917305463439
Energy: 0.5310801584615091
Energy: 0.5253406128873619
Energy: 0.6189490327009866
Energy: 0.5560145127169315
Energy: 0.5310801584622985
Energy: 0.5253406128865724
Energy: 0.6189490327012187
Energy: 0.5311011889810907
Energy: 0.5308941925504144
Energy: 0.571080031106591
Energy: 0.5229521042936801
Energy: 0.5311011889808586
Energy: 0.5308941925501821
Energy: 0.5710800311078446
Energy: 0.5311010071537193
Energy: 0.5439703172658222
Energy: 0.6017414802738552
Energy: 0.5691617956520177
Energy: 0.5311010071534872
Energy: 0.5439703172661008
Energy: 0.6017414802731123
Energy: 0.5313789423507953
Energy: 0.5309824184645576
Energy: 0.5892466572976421
Energy: 0.5365046764559908
Energy: 0.531378942351306
Energy: 0.530982418466833
Energy: 0.5892466572973635
Energy: 0.5430193060329349
Energy: 0.5585991641419263
Energy: 0.671633790053277
Energy: 0.5523210474935178
Energy: 0.5430193060329349
Energy: 0.5585991641421585
Energy: 0.6716337900524876
Energy: 0.5326191932185624
Energy: 0.567030666845891
Energy: 0.6033748264340625
Energy: 0.5496432398321068
Energy: 0.5326191932178195
Energy: 0.5670306668418046
Energy: 0.6033748264333195
Energy: 0.5739121990143253
Energy: 0.5607992119145626
Energy: 0.6859069740705537
Energy: 0.5636547752641982
Energy: 0.573912199015347
Energy: 0.5607992119135411
Energy: 0.6859069740710645
Energy: 0.5325626373048346
Energy: 0.5650465658200059
Energy: 0.6661289876217925
Energy: 0.5768863513326256
Energy: 0.5325626373043236
Energy: 0.5650465658200059
Energy: 0.6661289876220248
Energy: 0.5611697528066539
Energy: 0.5608899091589445
Energy: 0.655210674222201
Energy: 0.5797494241682545
Energy: 0.5611697528074433
Energy: 0.5608899091589445
Energy: 0.6552106742219225
Energy: 0.5408410442887472
Energy: 0.5614527874328089
Energy: 0.6657043766293778
Energy: 0.537825272067643
Energy: 0.5408410442890258
Energy: 0.5614527874323446
Energy: 0.6657043766296564
Energy: 0.5295453032340268
Energy: 0.5582281819154696
Energy: 0.6371257752190447
Energy: 0.568335040416267
Energy: 0.5295453032340268
Energy: 0.558228181915191
Energy: 0.637125775218023

minimum gb energy = 0.5170023927953601 eV
minimum distance =  2.50467350240104 Angstroms
sigma value = 365


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

Energy: 0.5026218417425131
Energy: 0.5016299842346201
Energy: 0.7437616459236818
Energy: 0.5016299842357719
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.5770447452432108
Energy: 0.5026218417436648
Energy: 0.501629984235196
Energy: 0.7300257712549987
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842346201
Energy: 0.49040259670222336
Energy: 0.5026218417425131
Energy: 0.5016299842346201
Energy: 0.5883202033919184
Energy: 0.501629984235196
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.4904016815330363
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.7139691842469146
Energy: 0.5016299842357719
Energy: 0.5026218417436648
Energy: 0.5016299842346201
Energy: 0.5770447452432108
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.7233251190766035
Energy: 0.5016299842357719
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452437867
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.6132127537009688
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.4903805290632338
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.6021601938198158
Energy: 0.5016299842357719
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452432108
Energy: 0.5026218417448164
Energy: 0.5016299842340443
Energy: 0.6320937846772716
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.5770447452437867
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.512573774877317
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.490557447732502
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.6299181915972243
Energy: 0.5016299842357719
Energy: 0.5026218417436648
Energy: 0.5016299842340443
Energy: 0.4842916636789626
Energy: 0.5026218417442406
Energy: 0.5016299842340443
Energy: 0.6034987969302974
Energy: 0.5016299842346201
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452403318
Energy: 0.5026218417442406
Energy: 0.5016299842346201
Energy: 0.4894990357291427
Energy: 0.5016299842346201
Energy: 0.5026218417448164
Energy: 0.5016299842340443
Energy: 0.4893387979738194
Energy: 0.5026218417425131
Energy: 0.5016299842340443
Energy: 0.48430652009380126
Energy: 0.501629984235196
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.577044745242635
Energy: 0.5026218417442406
Energy: 0.5016299842346201
Energy: 0.5770447452414834
Energy: 0.501629984235196
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.5770447452414834
Energy: 0.5026218417425131
Energy: 0.5016299842346201
Energy: 0.5770447452420593
Energy: 0.5016299842346201
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452414834
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452414834
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842346201
Energy: 0.577044745242635
Energy: 0.5026218417442406
Energy: 0.5016299842346201
Energy: 0.5770447452420593
Energy: 0.501629984235196
Energy: 0.5026218417436648
Energy: 0.5016299842346201
Energy: 0.5770447452420593
Energy: 0.5026218417436648
Energy: 0.5016299842346201
Energy: 0.577044745242635
Energy: 0.5016299842346201
Energy: 0.5026218417442406
Energy: 0.5016299842340443
Energy: 0.5770447452420593
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.5770447452409075
Energy: 0.501629984235196
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.577044745242635
Energy: 0.502621841743089
Energy: 0.5016299842346201
Energy: 0.5770447452420593
Energy: 0.5016299842346201
Energy: 0.502621841743089
Energy: 0.5016299842340443
Energy: 0.577044745242635

minimum gb energy = 0.4842916636789626 eV
minimum distance =  2.67500382481191 Angstroms
sigma value = 23