Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=4.03330184519291
cohesive_energy=3.369970499585708
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: 0.01281657276810113
Energy: 0.5623174435035376
Energy: 0.4278847856679933
Energy: 0.5622395935618282
Energy: 0.012816572767095477
Energy: 0.5623174435023263
Energy: 0.42788478566778765
Energy: 0.30917356205134344
Energy: 0.013504354521195036
Energy: 0.12100050788457996
Energy: 0.013562888583277847
Energy: 0.3091735620499493
Energy: 0.013504354519000889
Energy: 0.12100050788739121
Energy: 0.01281657276810113
Energy: 0.5623174435039261
Energy: 0.4278847856679933
Energy: 0.5622395935608225
Energy: 0.012816572767095477
Energy: 0.5623174435037204
Energy: 0.4278847856679933
Energy: 0.30917356205095486
Energy: 0.013504354520806491
Energy: 0.12100050788457996
Energy: 0.013562888583072146
Energy: 0.30917356205054347
Energy: 0.013504354517583837
Energy: 0.12100050788697979
Energy: 0.012816572768512531
Energy: 0.5623174435019148
Energy: 0.42788478566858756
Energy: 0.5622395935616226
Energy: 0.012816572767506883
Energy: 0.5623174435035376
Energy: 0.4278847856679933
Energy: 0.30917356205054347
Energy: 0.013504354520395086
Energy: 0.12100050788478565
Energy: 0.013562888583277847
Energy: 0.3091735620499493
Energy: 0.013504354517789537
Energy: 0.12100050788759692

minimum gb energy = 0.012816572767095477 eV
minimum distance =  2.82546795756588 Angstroms
sigma value = 5


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

Energy: 0.6036686637876749
Energy: 0.6381972323805204
Energy: 0.6722265782516275
Energy: 0.6383004684979384
Energy: 0.6036686637876749
Energy: 0.6381972323903492
Energy: 0.672226578258999
Energy: 0.5608723689520634
Energy: 0.58701424833218
Energy: 0.6118560988440049
Energy: 0.5809652648072223
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Energy: 0.5870142483493803
Energy: 0.6118560988415477
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Energy: 0.5617343233463666
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Energy: 0.5617343233414522
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Energy: 0.6415568827170512
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Energy: 0.5895338713370827
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Energy: 0.5551289083133979
Energy: 0.549627354633207
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Energy: 0.5714050942505963
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Energy: 0.6543529019714197
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Energy: 0.5775382418572846
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Energy: 0.5730390525652264
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Energy: 0.648436799771731
Energy: 0.5669350644882716
Energy: 0.5804904923582508
Energy: 0.5575047681173797
Energy: 0.6484367997643593
Energy: 0.631256056725937
Energy: 0.5758286206163854
Energy: 0.6442262233341653
Energy: 0.5999553023823324
Energy: 0.6312560567357658
Energy: 0.575828620609014
Energy: 0.6442262233390799
Energy: 0.579424129668431
Energy: 0.5801562270568169
Energy: 0.6598653973349518
Energy: 0.5791739946229314
Energy: 0.5794241296512753
Energy: 0.5801562270592739
Energy: 0.659865397339866
Energy: 0.5505555040047827
Energy: 0.5708348577777326
Energy: 0.6553363879996931
Energy: 0.5670054115318767
Energy: 0.5505555039974112
Energy: 0.5708348577605322
Energy: 0.6553363880070648
Energy: 0.5555747204852249
Energy: 0.584165803370157
Energy: 0.6623970420845476
Energy: 0.6095417846210932
Energy: 0.5555747204950539
Energy: 0.5841658033652427
Energy: 0.6623970420943763
Energy: 0.5472514403967178
Energy: 0.576400435721667
Energy: 0.5975877771615195
Energy: 0.5541527721381256
Energy: 0.5472514404114611
Energy: 0.5764004357265815
Energy: 0.5975877771516905

minimum gb energy = 0.5472514403967178 eV
minimum distance =  2.54654461662526 Angstroms
sigma value = 401


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

Energy: 0.5675843828693186
Energy: 0.5835659508392445
Energy: 0.6728710051836602
Energy: 0.5783019117751721
Energy: 0.567584382881591
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Energy: 0.5751564366452049
Energy: 0.550650400048824
Energy: 0.5861205274138109
Energy: 0.6580319730788675
Energy: 0.55630286385857
Energy: 0.5911655735600635
Energy: 0.6040532737412597
Energy: 0.5742302893757402
Energy: 0.5563028638563385
Energy: 0.5911655735561587
Energy: 0.604053273740702
Energy: 0.5739006498154727
Energy: 0.6067079025201245
Energy: 0.6249239620308097
Energy: 0.5861615677644896
Energy: 0.5739006498402711
Energy: 0.6067079025100836
Energy: 0.6143130657032967
Energy: 0.5747600670996296
Energy: 0.5821865950358487
Energy: 0.6523319912191764
Energy: 0.5889195759832305
Energy: 0.5747600670895886
Energy: 0.5821865950316394
Energy: 0.6523319912300797
Energy: 0.5576965358293473
Energy: 0.5681089817167829
Energy: 0.6429947276595298
Energy: 0.5928005452167983
Energy: 0.5576965358240225
Energy: 0.5681089817056769
Energy: 0.6263642080407322
Energy: 0.5576406340699939
Energy: 0.5834499297510802
Energy: 0.667961483400278
Energy: 0.5914050308638584
Energy: 0.5576406340738987
Energy: 0.5834499297471754
Energy: 0.6656844060214447
Energy: 0.5548329696422789
Energy: 0.5835659508392445
Energy: 0.6542772989634607
Energy: 0.5783019117740564
Energy: 0.5548329696419746
Energy: 0.5835659508334125
Energy: 0.6784883784828764
Energy: 0.5568551421602755
Energy: 0.6041422085467882
Energy: 0.6722336084684591
Energy: 0.5822562715959582
Energy: 0.5568551421697587
Energy: 0.604142208549273
Energy: 0.672233608471806

minimum gb energy = 0.5506504000441077 eV
minimum distance =  2.55755417145904 Angstroms
sigma value = 311


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

Energy: 0.6281978576438885
Energy: 0.5856392571083676
Energy: 0.6713641797999408
Energy: 0.5852234441097969
Energy: 0.6281978576390576
Energy: 0.5856392571109441
Energy: 0.6554100698736616
Energy: 0.6010777427357319
Energy: 0.5685924062308041
Energy: 0.6446806677258096
Energy: 0.6100989748260358
Energy: 0.6010777427408849
Energy: 0.5685924062291938
Energy: 0.6446806677267758
Energy: 0.5989606693439947
Energy: 0.6018651952748921
Energy: 0.6767595424094119
Energy: 0.5862096832532053
Energy: 0.5989606693439947
Energy: 0.6018651952832659
Energy: 0.6680201632172514
Energy: 0.5880593794008752
Energy: 0.5804793127140789
Energy: 0.6701656730110088
Energy: 0.5869246313785371
Energy: 0.5880593794043886
Energy: 0.5804793127118245
Energy: 0.6701656730145515
Energy: 0.591316475438656
Energy: 0.6032258950171465
Energy: 0.680787425412841
Energy: 0.5933948114289733
Energy: 0.5913164754405883
Energy: 0.6032258950235878
Energy: 0.6759210405176733
Energy: 0.5923182439174144
Energy: 0.5758100868388661
Energy: 0.642107819672343
Energy: 0.5843822554079212
Energy: 0.5923182439196688
Energy: 0.5758100868401544
Energy: 0.6421078196726651
Energy: 0.5929023674276616
Energy: 0.620975574299206
Energy: 0.6806744418561511
Energy: 0.5905562283345982
Energy: 0.5929023674273395
Energy: 0.6209755743030709
Energy: 0.6441408664003418
Energy: 0.5897792376690844
Energy: 0.5914836671987695
Energy: 0.6949001933908481
Energy: 0.5922016655254476
Energy: 0.5897792376710167
Energy: 0.5914836671965149
Energy: 0.6949001933934246
Energy: 0.5888247452302225
Energy: 0.5791105822562121
Energy: 0.6689981839275712
Energy: 0.5789499716288092
Energy: 0.5888247452286414
Energy: 0.579110582259755
Energy: 0.6689981839243506
Energy: 0.5829849584958193
Energy: 0.6027875633112731
Energy: 0.6687185589855238
Energy: 0.6071492764551224
Energy: 0.5829849584958193
Energy: 0.602787563314494
Energy: 0.6687185589806928
Energy: 0.623957048991088
Energy: 0.6051429071855456
Energy: 0.6641287532329081
Energy: 0.5761498085319998
Energy: 0.6239570489949529
Energy: 0.6051429071807146
Energy: 0.6641287532303315
Energy: 0.5958569177696807
Energy: 0.5943302588582039
Energy: 0.6521683236397042
Energy: 0.6031643162248265
Energy: 0.5958569177722279
Energy: 0.5943302588549834
Energy: 0.6521683236442132
Energy: 0.5844213356659191
Energy: 0.577144570958894
Energy: 0.6440983788750756
Energy: 0.5870746447591687
Energy: 0.5844213356649528
Energy: 0.57714457095825
Energy: 0.6440983788753977
Energy: 0.5888451548831063
Energy: 0.6016803583192006
Energy: 0.6658423255385413
Energy: 0.5947270506705362
Energy: 0.5888451548818181
Energy: 0.6016803583204888
Energy: 0.6658423255424061
Energy: 0.6070174526463177
Energy: 0.5920893996859865
Energy: 0.6654348699606277
Energy: 0.5877957978020976
Energy: 0.6070174526450294
Energy: 0.5920893996859865
Energy: 0.6654348699648145
Energy: 0.5906502271677442
Energy: 0.5977718291101035
Energy: 0.6482716588953643
Energy: 0.5973053560698545
Energy: 0.5906502271651677
Energy: 0.5977718291159008
Energy: 0.6482716588972968
Energy: 0.6139870218459444
Energy: 0.5772333143396604
Energy: 0.6394517141635656
Energy: 0.589230557281828
Energy: 0.6139870218449782
Energy: 0.5772333143374061
Energy: 0.6394517141690409
Energy: 0.589109365593592
Energy: 0.6204204228795284
Energy: 0.6781251826466929
Energy: 0.6009823803394544
Energy: 0.5891093655942361
Energy: 0.6204204228801725
Energy: 0.6781251826489472
Energy: 0.589195481657851
Energy: 0.5874997250376288
Energy: 0.66791603945742
Energy: 0.5929270132448968
Energy: 0.5891954816536641
Energy: 0.5874997250402053
Energy: 0.6679160394603185
Energy: 0.5878439173846447
Energy: 0.5834991940153337
Energy: 0.6549117416267559
Energy: 0.5896765084610999
Energy: 0.5878439173852888
Energy: 0.5834991940172662
Energy: 0.6549117416286884
Energy: 0.5890750868996041
Energy: 0.6060405319658683
Energy: 0.6426987219043029
Energy: 0.611782371597278
Energy: 0.5890750869008631
Energy: 0.6060405319678007
Energy: 0.6426987219033368
Energy: 0.5920574343493817
Energy: 0.6011482600993682
Energy: 0.6621383042764483
Energy: 0.5778388939845742
Energy: 0.5920574343497038
Energy: 0.6011482600984019
Energy: 0.662138304279991
Energy: 0.6058922333648704
Energy: 0.5854500346328537
Energy: 0.631691970092877
Energy: 0.592290479087221
Energy: 0.6058922333629378
Energy: 0.585450034635108
Energy: 0.6316919700989964
Energy: 0.5881343895529898
Energy: 0.5738642232618678
Energy: 0.6688099586839271
Energy: 0.5852857199936283
Energy: 0.5881343895552442
Energy: 0.5738642232628338
Energy: 0.6688099586845714
Energy: 0.6126793747602791
Energy: 0.5803819366113538
Energy: 0.6466537383962281
Energy: 0.5909615583530192
Energy: 0.612679374763822
Energy: 0.5803819366107098
Energy: 0.6466537383920411
Energy: 0.6165850529360042
Energy: 0.6067970769260863
Energy: 0.6532407768273534
Energy: 0.5947921118029033
Energy: 0.6165850529360042
Energy: 0.6067970769286626
Energy: 0.653240776824777
Energy: 0.6303665743983264
Energy: 0.5756710582099945
Energy: 0.6755572319322668
Energy: 0.5851295031404804
Energy: 0.6303665744018692
Energy: 0.5756710582051635
Energy: 0.6755572319325889
Energy: 0.607490769246769
Energy: 0.5708230292141504
Energy: 0.6442876233049165
Energy: 0.5718275570191773
Energy: 0.6074907692496676
Energy: 0.5708230292164048
Energy: 0.6442876233026621
Energy: 0.5978037869779993
Energy: 0.6018688676694726
Energy: 0.6618238940761689
Energy: 0.5921624626792298
Energy: 0.5978037869728463
Energy: 0.6018688676623871
Energy: 0.6618238940752027
Energy: 0.5880444110752495
Energy: 0.5823912343782451
Energy: 0.6645865863308902
Energy: 0.58680118736857
Energy: 0.5880444110739612
Energy: 0.5823912343801775
Energy: 0.6645865863344329
Energy: 0.5891696229478335
Energy: 0.6031608339006777
Energy: 0.6739786400578363
Energy: 0.5939616632610731
Energy: 0.5891696229491218
Energy: 0.6031608338987454
Energy: 0.6739786400575142
Energy: 0.589011885439269
Energy: 0.5825044571978929
Energy: 0.64517157993323
Energy: 0.5844485680007883
Energy: 0.5890118854370144
Energy: 0.5825044572004694
Energy: 0.6451715799345183
Energy: 0.5928973504983958
Energy: 0.6150942056091875
Energy: 0.6527799575022653
Energy: 0.5901060017415611
Energy: 0.5928973505016166
Energy: 0.6150942056075771
Energy: 0.6451364446385456
Energy: 0.5898108358174103
Energy: 0.5907121662098718
Energy: 0.6893542379981283
Energy: 0.5908990222817231
Energy: 0.5898108358196649
Energy: 0.5907121662076172
Energy: 0.6893542379932973
Energy: 0.5895573660617411
Energy: 0.5723068433211724
Energy: 0.6563138897337845
Energy: 0.5793080825865361
Energy: 0.5895573660630293
Energy: 0.57230684331924
Energy: 0.6563138897260549
Energy: 0.5832495126554552
Energy: 0.6029288369404973
Energy: 0.6474759540354256
Energy: 0.6075819301692367
Energy: 0.5832495126509463
Energy: 0.6029288369385649
Energy: 0.6474759540367138

minimum gb energy = 0.5685924062291938 eV
minimum distance =  2.53985678295647 Angstroms
sigma value = 39


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

Energy: 0.6071094015818601
Energy: 0.5881180835685311
Energy: 0.6510501590165244
Energy: 0.5971539020957961
Energy: 0.607109401585281
Energy: 0.58811808356473
Energy: 0.6510501590172846
Energy: 0.5793603622441018
Energy: 0.6151066527964658
Energy: 0.6030039054188995
Energy: 0.6188661357807292
Energy: 0.5793603622425815
Energy: 0.615106652796846
Energy: 0.6030039054196596
Energy: 0.5956454287984478
Energy: 0.587022059912803
Energy: 0.6039380308329798
Energy: 0.6126116620412699
Energy: 0.5956454287999683
Energy: 0.5870220599158438
Energy: 0.60393803083374
Energy: 0.5868326049729272
Energy: 0.6197258908482202
Energy: 0.6193294449675237
Energy: 0.6141842879548397
Energy: 0.5868326049638047
Energy: 0.6197258908478401
Energy: 0.6193294449739853
Energy: 0.6163393998142082
Energy: 0.589881700581211
Energy: 0.6651908071828598
Energy: 0.5969801474166617
Energy: 0.6163393998195296
Energy: 0.5898817005770298
Energy: 0.6651908071775384
Energy: 0.5938075509062345
Energy: 0.6057186457155556
Energy: 0.6497524180742072
Energy: 0.6082417424905235
Energy: 0.593807550904334
Energy: 0.605718645713655
Energy: 0.6497524180742072
Energy: 0.6413669889770588
Energy: 0.5872970099379253
Energy: 0.5966356127712467
Energy: 0.5990618451431508
Energy: 0.6413669889759185
Energy: 0.5872970099394457
Energy: 0.5966356127701062
Energy: 0.5869848414739525
Energy: 0.6080326914381584
Energy: 0.6356836226710957
Energy: 0.5857583361498283
Energy: 0.5869848414701514
Energy: 0.6080326914476608
Energy: 0.635683622672236
Energy: 0.6533850523138445
Energy: 0.6273634704462384
Energy: 0.6436614525747898
Energy: 0.5960666852836174
Energy: 0.6533850523203063
Energy: 0.6273634704507997
Energy: 0.6341914668835636
Energy: 0.5867154448704105
Energy: 0.6078129805380629
Energy: 0.6437897516060023
Energy: 0.6165047740804905
Energy: 0.5867154448707905
Energy: 0.6078129805414837
Energy: 0.6437897516041018
Energy: 0.6005780943471349
Energy: 0.6130127292482994
Energy: 0.6169349594686387
Energy: 0.610528753626003
Energy: 0.6005780943437139
Energy: 0.6130127292463988
Energy: 0.6169349874198239
Energy: 0.5805561031544885
Energy: 0.6045993474259209
Energy: 0.601792273849543
Energy: 0.6134884785163761
Energy: 0.5805561031548687
Energy: 0.6045993474244004
Energy: 0.601792273842321
Energy: 0.5933427664912325
Energy: 0.624511167496752
Energy: 0.6232624613197325
Energy: 0.5619802864238674
Energy: 0.593342766493513
Energy: 0.6245111675016932
Energy: 0.623262461317832
Energy: 0.5749225324921489
Energy: 0.6191633316921525
Energy: 0.5945871968019132
Energy: 0.6263062526295553
Energy: 0.5749225324993709
Energy: 0.619163331693673
Energy: 0.5945871967969719
Energy: 0.6011262661744907
Energy: 0.588118083568911
Energy: 0.6485923261872278
Energy: 0.5971539020942758
Energy: 0.6011262661741106
Energy: 0.5881180835654903
Energy: 0.6485923261838068
Energy: 0.5793603622444821
Energy: 0.615106652796846
Energy: 0.6030039054196596
Energy: 0.618214648450344
Energy: 0.5793603622422014
Energy: 0.615106652796846
Energy: 0.6030039054208
Energy: 0.5956454287984478
Energy: 0.5901747980674272
Energy: 0.6039380308306991
Energy: 0.6126116620435506
Energy: 0.5956454288018688
Energy: 0.5901747980666671
Energy: 0.603938030830319
Energy: 0.5868326049702665
Energy: 0.6197258908493606
Energy: 0.619329444969044
Energy: 0.6141842879540794
Energy: 0.5868326049645649
Energy: 0.6197258908493606
Energy: 0.6193294449720848
Energy: 0.6038573290673255
Energy: 0.589881700581211
Energy: 0.6651908071786787
Energy: 0.5969801474185622
Energy: 0.603857329065805
Energy: 0.5898817005777901
Energy: 0.6651908071748778
Energy: 0.6024851676673931
Energy: 0.605718645713655
Energy: 0.6497524180764878
Energy: 0.6082417424871025
Energy: 0.6024851676704339
Energy: 0.6057186457117545
Energy: 0.6497524180761077
Energy: 0.6413669889774388
Energy: 0.5872970099409661
Energy: 0.5947448203759201
Energy: 0.5990482544963702
Energy: 0.6413669889759185
Energy: 0.5872970099394457
Energy: 0.5947448203766803
Energy: 0.5869848414735722
Energy: 0.6113128099707487
Energy: 0.6356836226726162
Energy: 0.585758336148688
Energy: 0.5869848414716718
Energy: 0.6113128099730292
Energy: 0.6356836226707158
Energy: 0.6533850523134643
Energy: 0.6273634704439579
Energy: 0.6478835782437713
Energy: 0.5960666852836174
Energy: 0.6533850523210664
Energy: 0.6273634704458584
Energy: 0.6478835782433913
Energy: 0.5926736483697933
Energy: 0.6078129805380629
Energy: 0.6437897516063823
Energy: 0.6165047740808708
Energy: 0.5926736483781554
Energy: 0.6078129805399634
Energy: 0.6437897516048618
Energy: 0.6005780943456144
Energy: 0.6130127292463988
Energy: 0.6287836560685194
Energy: 0.610154385703727
Energy: 0.6005780943421936
Energy: 0.613012729246779
Energy: 0.6287836560681392
Energy: 0.5805561031552487
Energy: 0.6045993474236402
Energy: 0.6018774442261919
Energy: 0.6134884785178967
Energy: 0.580556103156009
Energy: 0.6045993474232602
Energy: 0.6018774442269521
Energy: 0.5933427664900922
Energy: 0.6245111674982724
Energy: 0.6077610686348072
Energy: 0.5619802864227271
Energy: 0.5933427664919927
Energy: 0.6245111675058743
Energy: 0.6077610686351874
Energy: 0.5749225324910086
Energy: 0.6191633316925327
Energy: 0.5945871968019132
Energy: 0.6263062526306956
Energy: 0.5749225325008911
Energy: 0.6191633316925327
Energy: 0.5945871968000127
Energy: 0.5939887994363492
Energy: 0.5881180835700514
Energy: 0.6485923261891282
Energy: 0.5971539020984569
Energy: 0.5939887994344487
Energy: 0.5881180835670106
Energy: 0.6485923261857073
Energy: 0.5793603622448622
Energy: 0.6151066527957058
Energy: 0.6030039054204198
Energy: 0.6172863562753316
Energy: 0.5793603622414412
Energy: 0.6151066527991265
Energy: 0.6030039054200398

minimum gb energy = 0.5619802864227271 eV
minimum distance =  2.60022265849337 Angstroms
sigma value = 21


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

Energy: 0.5856673605950699
Energy: 0.6343497892974598
Energy: 0.6805979515854015
Energy: 0.6278875255162176
Energy: 0.5856673605969154
Energy: 0.6343497892993054
Energy: 0.6805979515895543
Energy: 0.5879772433303506
Energy: 0.573840690524295
Energy: 0.6168381684751743
Energy: 0.5734753967727235
Energy: 0.5879772433358877
Energy: 0.5738406905252179
Energy: 0.61683816848025
Energy: 0.5959185537100419
Energy: 0.5623466166711867
Energy: 0.6306438997930165
Energy: 0.5664574172660509
Energy: 0.5959185537049664
Energy: 0.5623466166716481
Energy: 0.6306438997967079
Energy: 0.6302309204265214
Energy: 0.5738485973052404
Energy: 0.6439755236911809
Energy: 0.5588247301693413
Energy: 0.6302309204315971
Energy: 0.573848597301549
Energy: 0.643975523695795
Energy: 0.5734664989035444
Energy: 0.6083626405734791
Energy: 0.6083700509557397
Energy: 0.6091233653035304
Energy: 0.5734664989012372
Energy: 0.608362640571172
Energy: 0.6083700509580467
Energy: 0.6302563092263131
Energy: 0.5687614722965482
Energy: 0.6329713139923244
Energy: 0.5728727725091388
Energy: 0.6302563092276974
Energy: 0.5687614722965482
Energy: 0.6329713139923244
Energy: 0.5855051637687085
Energy: 0.6082524737055206
Energy: 0.6090970987228331
Energy: 0.5867321382468823
Energy: 0.5855051637705543
Energy: 0.6082524737041363
Energy: 0.6090970987256017
Energy: 0.5854963433806094
Energy: 0.55956113548337
Energy: 0.6407821831541995
Energy: 0.5731301298200313
Energy: 0.5854963433787637
Energy: 0.5595611354810629
Energy: 0.6407821831541995
Energy: 0.5856628473838067
Energy: 0.5741383679960459
Energy: 0.6489296051069808
Energy: 0.5873952744953116
Energy: 0.5856628473888822
Energy: 0.5741383679978915
Energy: 0.6489296051000595
Energy: 0.5996319797429904
Energy: 0.566245347565496
Energy: 0.5955386750741274
Energy: 0.5880268929687502
Energy: 0.5996319797439131
Energy: 0.5662453475714946
Energy: 0.5955386750750502
Energy: 0.5986424186985824
Energy: 0.5896340201292307
Energy: 0.6130398789971315
Energy: 0.5859878297627616
Energy: 0.5986424186944295
Energy: 0.589634020130615
Energy: 0.6130398789989774
Energy: 0.5620318767131051
Energy: 0.5859258645777682
Energy: 0.6158471014953145
Energy: 0.6203706995387462
Energy: 0.5620318767126438
Energy: 0.5859258645754613
Energy: 0.6158471014902388
Energy: 0.5988964906570462
Energy: 0.5745513677838302
Energy: 0.5998411158248452
Energy: 0.5715587419252747
Energy: 0.5988964906561234
Energy: 0.5745513677852144
Energy: 0.5998411158285367
Energy: 0.5623743133412282
Energy: 0.6007863196589501
Energy: 0.6660563171029023
Energy: 0.5907495964134286
Energy: 0.5623743133439758
Energy: 0.6007863196561816
Energy: 0.6660563170987492
Energy: 0.6197994773057706
Energy: 0.5525550554334824
Energy: 0.5967104453551457
Energy: 0.5634224110435608
Energy: 0.6197994773025615
Energy: 0.5525550554293295
Energy: 0.5967104453482243
Energy: 0.5354178907598521
Energy: 0.6050516148799618
Energy: 0.6276550958868572
Energy: 0.6055098068645732
Energy: 0.5354178907667735
Energy: 0.6050516148744247
Energy: 0.627655095882243
Energy: 0.6066428857953311
Energy: 0.5520044802209189
Energy: 0.6290765803446168
Energy: 0.5627896919958654
Energy: 0.6066428857930238
Energy: 0.5520044802130747
Energy: 0.6290765803450782
Energy: 0.535349666744761
Energy: 0.5723070717603107
Energy: 0.5930737002120046
Energy: 0.5916939318911317
Energy: 0.5353496667419925
Energy: 0.5723070717640021
Energy: 0.5930737002050832
Energy: 0.6094309793733291
Energy: 0.5522926283778788
Energy: 0.5829548823452118
Energy: 0.5617809904748424
Energy: 0.6094309793724272
Energy: 0.5522926283764945
Energy: 0.5829548823382904
Energy: 0.5353018826159135
Energy: 0.5970011318110385
Energy: 0.6028250287809882
Energy: 0.5969928926044681
Energy: 0.5353018826108378
Energy: 0.5970011318156527
Energy: 0.6028250287837569
Energy: 0.609424455937472
Energy: 0.5618880555127557
Energy: 0.5829758397932526
Energy: 0.5523838858280851
Energy: 0.6094244559416249
Energy: 0.5618880555122943
Energy: 0.5829758397923298
Energy: 0.5353607797278114
Energy: 0.5916892408323308
Energy: 0.5930723706017477
Energy: 0.5722495697088918
Energy: 0.5353607797268884
Energy: 0.5916892408323308
Energy: 0.593072370607725
Energy: 0.6065917418732776
Energy: 0.562762388933204
Energy: 0.6384545635868237
Energy: 0.5517836872148302
Energy: 0.6065917418797165
Energy: 0.5627623889382796
Energy: 0.6384545635812865
Energy: 0.5354162419973802
Energy: 0.6054930425199504
Energy: 0.6276823592865078
Energy: 0.6052332555332852
Energy: 0.5354162419923045
Energy: 0.6054930425171818
Energy: 0.627682359282355
Energy: 0.6197038360338328
Energy: 0.5634324147214131
Energy: 0.6459986727891168
Energy: 0.5526601143331946
Energy: 0.6197038360342942
Energy: 0.5634324147204901
Energy: 0.6459986727872712

minimum gb energy = 0.5353018826108378 eV
minimum distance =  2.55328287426579 Angstroms
sigma value = 113


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

Energy: 0.6280302548279701
Energy: 0.6163588071404149
Energy: 0.6817268167214995
Energy: 0.6160968662134294
Energy: 0.6280302548431405
Energy: 0.6163588071383548
Energy: 0.6817268167338605
Energy: 0.6023680685290521
Energy: 0.6102512982014925
Energy: 0.6620488495817247
Energy: 0.6386471299206288
Energy: 0.6023680685339686
Energy: 0.6102512982004623
Energy: 0.662048849572173
Energy: 0.6224141186922397
Energy: 0.6129033734343247
Energy: 0.6632623405063691
Energy: 0.5956696760183332
Energy: 0.6224141186801129
Energy: 0.6129033734420503
Energy: 0.6632623405073991
Energy: 0.573934979704305
Energy: 0.6250715339779909
Energy: 0.6789489102093805
Energy: 0.6210255114053166
Energy: 0.5739349796894154
Energy: 0.6250715339617904
Energy: 0.6789489101987988
Energy: 0.6149331593308122
Energy: 0.5832584364657392
Energy: 0.6410909434895344
Energy: 0.583589752365825
Energy: 0.6149331593269258
Energy: 0.5832584364691104
Energy: 0.6410909434893003
Energy: 0.5620123171088302
Energy: 0.616708178110093
Energy: 0.6865915240641888
Energy: 0.5874907580969814
Energy: 0.5620123171008705
Energy: 0.6167081781070027
Energy: 0.6865915240580083
Energy: 0.5986455298259745
Energy: 0.5765176385332139
Energy: 0.658756130121181
Energy: 0.5704550772730904
Energy: 0.5986455298282688
Energy: 0.5765176385432338
Energy: 0.6587561301188867
Energy: 0.5620785905519751
Energy: 0.6011269832472618
Energy: 0.668924401631037
Energy: 0.595284242899768
Energy: 0.562078590550945
Energy: 0.6011269832444057
Energy: 0.6689244016179267
Energy: 0.5961641971222065
Energy: 0.5803743868641463
Energy: 0.663693268431457
Energy: 0.572703488701792
Energy: 0.5961641971188354
Energy: 0.5803743868734171
Energy: 0.6636932684185809
Energy: 0.5674465518568231
Energy: 0.5972275252110851
Energy: 0.6562311801714631
Energy: 0.5978826600222462
Energy: 0.5674465518655788
Energy: 0.5972275252043895
Energy: 0.6562311801722123
Energy: 0.6032982171448708
Energy: 0.6111980666514086
Energy: 0.6773228694535383
Energy: 0.5812405447405997
Energy: 0.6032982171448708
Energy: 0.6111980666521578
Energy: 0.6773228694430032
Energy: 0.5767764573895957
Energy: 0.5964775775850741
Energy: 0.6988971641847302
Energy: 0.6021839506906395
Energy: 0.5767764573944651
Energy: 0.5964775775928
Energy: 0.698897164191145
Energy: 0.6122523709817282
Energy: 0.6103146452960072
Energy: 0.6949400896643784
Energy: 0.6028302346764111
Energy: 0.612252370980183
Energy: 0.6103146452929169
Energy: 0.6949400896723849
Energy: 0.6137195512318058
Energy: 0.6251005560240568
Energy: 0.7060515158516327
Energy: 0.638510657185244
Energy: 0.6137195512364413
Energy: 0.625100556040538
Energy: 0.7060515158436261
Energy: 0.6124547594819587
Energy: 0.6185363139404098
Energy: 0.7186492080254431
Energy: 0.6168746334555311
Energy: 0.6124547594696446
Energy: 0.6185363139478546
Energy: 0.7186492080390683
Energy: 0.6137242525640451
Energy: 0.5970226025035849
Energy: 0.6848809006883041
Energy: 0.6183588831325347
Energy: 0.6137242525632958
Energy: 0.5970226024969362
Energy: 0.684880900696264
Energy: 0.6161496257180635
Energy: 0.6097599921793692
Energy: 0.7142646747648446
Energy: 0.5936420958077335
Energy: 0.6161496257263043
Energy: 0.6097599921914959
Energy: 0.7142646747669047
Energy: 0.5771646171151529
Energy: 0.5886076606176657
Energy: 0.6572665720414445
Energy: 0.6025244643603889
Energy: 0.5771646171177282
Energy: 0.5886076606205217
Energy: 0.6572665720517453
Energy: 0.6153380829182936
Energy: 0.6094023380320249
Energy: 0.6854451751981081
Energy: 0.6191183367737673
Energy: 0.6153380829190428
Energy: 0.6094023380273896
Energy: 0.6854451751919276
Energy: 0.5836005515951287
Energy: 0.5952310001591901
Energy: 0.6542432925593102
Energy: 0.5907846860795978
Energy: 0.5836005515923194
Energy: 0.5952310001656048
Energy: 0.6542432925502736
Energy: 0.5954981730366725
Energy: 0.5893651061194949
Energy: 0.6600986724501945
Energy: 0.6222686650002998
Energy: 0.5954981730287129
Energy: 0.5893651061284848
Energy: 0.66009867245689
Energy: 0.5867139078711302
Energy: 0.5895692977073197
Energy: 0.6377456598548986
Energy: 0.5898619995610738
Energy: 0.5867139078762806
Energy: 0.5895692977019352
Energy: 0.6377456598718482
Energy: 0.5960266794885448
Energy: 0.6017565118623631
Energy: 0.6119832390897759
Energy: 0.6245420764853878
Energy: 0.596026679488779
Energy: 0.601756511862129
Energy: 0.6119832390995149
Energy: 0.5836382675273245
Energy: 0.5777490977040122
Energy: 0.6747713805501112
Energy: 0.5963136579894549
Energy: 0.5836382675365953
Energy: 0.5777490977017179
Energy: 0.6747713805436497
Energy: 0.6073838133277474
Energy: 0.6115485263771556
Energy: 0.6116320296428359
Energy: 0.6467345214682467
Energy: 0.6073838133326169
Energy: 0.6115485263745803
Energy: 0.611632029645692
Energy: 0.5766382631455286
Energy: 0.6176839745975055
Energy: 0.6885550533913656
Energy: 0.5989131023857732
Energy: 0.5766382631473077
Energy: 0.6176839745884688
Energy: 0.6885550534008705
Energy: 0.6434698386702622
Energy: 0.6006274480828109
Energy: 0.6332183842308352
Energy: 0.6563405970955707
Energy: 0.6434698386671719
Energy: 0.6006274480810316
Energy: 0.633218384227511
Energy: 0.5820988675274046
Energy: 0.6345252278218593
Energy: 0.6803605491135707
Energy: 0.6307911539222325
Energy: 0.5820988675379397
Energy: 0.6345252278208291
Energy: 0.6803605491153968
Energy: 0.6380188269538982
Energy: 0.5925336254985574
Energy: 0.6584717808672942
Energy: 0.6565159086569158
Energy: 0.6380188269495438
Energy: 0.5925336254923769
Energy: 0.6584717808628928
Energy: 0.5702903332758783
Energy: 0.6105971110932205
Energy: 0.6588697648819564
Energy: 0.6122136989111088
Energy: 0.5702903332699788
Energy: 0.6105971110877889
Energy: 0.6588697648816755
Energy: 0.6089838812919905
Energy: 0.5946032435777278
Energy: 0.6733211094025664
Energy: 0.6303161529308601
Energy: 0.6089838812827199
Energy: 0.5946032435787579
Energy: 0.6733211094046265
Energy: 0.5753191236844999
Energy: 0.5738996780572241
Energy: 0.632838836966868
Energy: 0.594443453632398
Energy: 0.5753191236752292
Energy: 0.5738996780626084
Energy: 0.6328388369684133
Energy: 0.58781332665076
Energy: 0.5899019692745695
Energy: 0.6702441437367145
Energy: 0.6063606701968905
Energy: 0.5878133266528202
Energy: 0.5899019692755997
Energy: 0.670244143730534
Energy: 0.5808889648178919
Energy: 0.5713504582610915
Energy: 0.6328933649335161
Energy: 0.5682589256044562
Energy: 0.5808889648168617
Energy: 0.5713504582389447
Energy: 0.6328933649285998
Energy: 0.5797103076761242
Energy: 0.5754673574928194
Energy: 0.6573706495142954
Energy: 0.6109226117388095
Energy: 0.5797103076642781
Energy: 0.5754673574909933
Energy: 0.6573706495127503
Energy: 0.5787034754417315
Energy: 0.5770981093363007
Energy: 0.6343818257930863
Energy: 0.572985648250403
Energy: 0.5787034754417315
Energy: 0.5770981093483808
Energy: 0.6343818257980028
Energy: 0.589740623495716
Energy: 0.5861363575964713
Energy: 0.6659930280901499
Energy: 0.6123465580319528
Energy: 0.5897406234792815
Energy: 0.5861363576028858
Energy: 0.6659930280958154
Energy: 0.5786423843442251
Energy: 0.5757001652397832
Energy: 0.6415191111027566
Energy: 0.5800176285265025
Energy: 0.5786423843462853
Energy: 0.5757001652389871
Energy: 0.6415191111048169
Energy: 0.6001317219807317
Energy: 0.5979924005537255
Energy: 0.7044150195188498
Energy: 0.6091156670699427
Energy: 0.60013172197118
Energy: 0.5979924005534445
Energy: 0.7044150195237192
Energy: 0.5825181802653726
Energy: 0.6112479378157385
Energy: 0.6559063428519092
Energy: 0.5941794612668968
Energy: 0.5825181802635934
Energy: 0.6112479378183137
Energy: 0.6559063428485848
Energy: 0.6040508073542475
Energy: 0.6017398329348455
Energy: 0.7106946092307572
Energy: 0.6222887059731299
Energy: 0.6040508073583678
Energy: 0.6017398329394807
Energy: 0.7106946092096874
Energy: 0.583162824377513
Energy: 0.6192740485004241
Energy: 0.7071183655843832
Energy: 0.615936635684189
Energy: 0.5831628243849575
Energy: 0.6192740484934476
Energy: 0.7071183655743633
Energy: 0.6019216027984643
Energy: 0.6019816599015889
Energy: 0.683705223728281
Energy: 0.6247830494806049
Energy: 0.6019216028010395
Energy: 0.6019816598961577
Energy: 0.6837052237290302
Energy: 0.5952413699575713
Energy: 0.609276418512983
Energy: 0.7078134629266002
Energy: 0.5940896557062119
Energy: 0.5952413699565412
Energy: 0.609276418523799
Energy: 0.7078134629358708
Energy: 0.5807469151486868
Energy: 0.6025202585041467
Energy: 0.6544901574739724
Energy: 0.6121360108620465
Energy: 0.5807469151564123
Energy: 0.6025202585005415
Energy: 0.6544901574819321

minimum gb energy = 0.5620123171008705 eV
minimum distance =  2.54159995997169 Angstroms
sigma value = 365


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

Energy: 0.5749150944285465
Energy: 0.5752771134902298
Energy: 0.6923793615150841
Energy: 0.5752771134890686
Energy: 0.5749150944256434
Energy: 0.5752771134884879
Energy: 0.6923793615191481
Energy: 0.5749150944244822
Energy: 0.5752771134919716
Energy: 0.6923793615208901
Energy: 0.5752771134937135
Energy: 0.574915094429127
Energy: 0.5752771134925523
Energy: 0.6923793615174064
Energy: 0.5749150944256434
Energy: 0.5752771134896492
Energy: 0.692379361517987
Energy: 0.5752771134913911
Energy: 0.5749150944302882
Energy: 0.5752771134908105
Energy: 0.6923793615197289
Energy: 0.5749150944297077
Energy: 0.5752771134902298
Energy: 0.6923793615208901
Energy: 0.5752771134908105
Energy: 0.5749150944250628
Energy: 0.5752771134879073
Energy: 0.5871723213817458
Energy: 0.5749150944250628
Energy: 0.5752771134913911
Energy: 0.6923793615208901
Energy: 0.5752771134925523
Energy: 0.5749150944285465
Energy: 0.5752771134913911
Energy: 0.6923793615139228
Energy: 0.5749150944250628
Energy: 0.5752771134896492
Energy: 0.6923793615156646
Energy: 0.5752771134913911
Energy: 0.5749150944297077
Energy: 0.5752771134931328
Energy: 0.6923793615156646
Energy: 0.5749150944302882
Energy: 0.5752771134908105
Energy: 0.6923793615150841
Energy: 0.5752771134896492
Energy: 0.5749150944256434
Energy: 0.5752771134896492
Energy: 0.5871723240142169
Energy: 0.5749150944250628
Energy: 0.5752771134937135
Energy: 0.6923793615197289
Energy: 0.5752771134919716
Energy: 0.5749150944302882
Energy: 0.5752771134908105
Energy: 0.692379361517987
Energy: 0.5749150944250628
Energy: 0.5752771134896492
Energy: 0.6923793615156646
Energy: 0.5752771134931328
Energy: 0.5749150944285465
Energy: 0.5752771134913911
Energy: 0.6923793615191481
Energy: 0.5749150944308689
Energy: 0.5752771134896492
Energy: 0.6923793615191481
Energy: 0.5752771134890686
Energy: 0.5749150944256434
Energy: 0.5752771134873267
Energy: 0.6923793615139228
Energy: 0.5749150944244822
Energy: 0.5752771134931328
Energy: 0.6923793615185676
Energy: 0.5752771134931328
Energy: 0.574915094429127
Energy: 0.5752771134913911
Energy: 0.6923793615121808
Energy: 0.5749150944262241
Energy: 0.5752771134879073
Energy: 0.6923793615191481
Energy: 0.5752771134925523
Energy: 0.574915094429127
Energy: 0.5752771134913911
Energy: 0.6923793615208901
Energy: 0.5749150944297077
Energy: 0.5752771134890686
Energy: 0.6923793615191481
Energy: 0.5752771134896492
Energy: 0.5749150944262241
Energy: 0.5752771134896492
Energy: 0.6179969192390682
Energy: 0.5749150944244822
Energy: 0.5752771134925523
Energy: 0.692379361517987
Energy: 0.5752771134931328
Energy: 0.574915094429127
Energy: 0.5752771134908105
Energy: 0.6923793615162452
Energy: 0.5749150944256434
Energy: 0.5752771134884879
Energy: 0.6923793615116002
Energy: 0.5752771134913911
Energy: 0.574915094429127
Energy: 0.5752771134931328
Energy: 0.6923793615203094
Energy: 0.5749150944297077
Energy: 0.5752771134902298
Energy: 0.6923793615145033
Energy: 0.5752771134896492
Energy: 0.5749150944268047
Energy: 0.5752771134902298
Energy: 0.692379361513342
Energy: 0.5749150944244822
Energy: 0.5752771134925523
Energy: 0.6923793615197289
Energy: 0.5752771134931328
Energy: 0.5749150944285465
Energy: 0.5752771134913911
Energy: 0.6923793615110196
Energy: 0.5749150944256434
Energy: 0.5752771134896492
Energy: 0.6923793615150841
Energy: 0.5752771134925523
Energy: 0.574915094429127
Energy: 0.5752771134913911
Energy: 0.6923793615214707
Energy: 0.5749150944297077
Energy: 0.5752771134890686
Energy: 0.6923793615197289
Energy: 0.5752771134896492
Energy: 0.5749150944250628
Energy: 0.5752771134890686
Energy: 0.6923793615185676
Energy: 0.5749150944250628
Energy: 0.5752771134925523
Energy: 0.6923793615191481
Energy: 0.5752771134925523
Energy: 0.5749150944302882
Energy: 0.5752771134919716
Energy: 0.6923793615168258

minimum gb energy = 0.5749150944244822 eV
minimum distance =  2.61116212787216 Angstroms
sigma value = 23