Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324625968933
cohesive_energy=4.122759316665687
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19]
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: 0.014416825948786198
Energy: 0.10479264184714515
Energy: 0.09145300133519915
Energy: 0.09258097547073055
Energy: 0.10752230082383235
Energy: 0.09034320468335968
Energy: 0.10582426923844089
Energy: 0.09161930267945421
Energy: 0.09341132731518885
Energy: 0.01718927843805009
Energy: 0.09069627312150394
Energy: 0.09052038630414326
Energy: 0.10441524607306978
Energy: 0.015328783127866081
Energy: 0.01565285259749617
Energy: 0.0945524816992785
Energy: 0.09066894835707658
Energy: 0.10418030144838142
Energy: 0.09054574042649398
Energy: 0.10593743352799104
Energy: 0.09124230289303258
Energy: 0.09049027168525578
Energy: 0.10441900677939982
Energy: 0.01796059487134913
Energy: 0.09267801348337118
Energy: 0.09166662823210442
Energy: 0.016837088184721953
Energy: 0.01494119497242411
Energy: 0.10413420781459051
Energy: 0.09201491967142446
Energy: 0.01608556905267445
Energy: 0.10560258399921496
Energy: 0.09051551062066147
Energy: 0.09092491379515044
Energy: 0.09252830218007202
Energy: 0.09047937952544151
Energy: 0.015328360578727517
Energy: 0.01524110974891582
Energy: 0.09082070049735046
Energy: 0.014656224429907078
Energy: 0.016560386963926862
Energy: 0.09371593580381866
Energy: 0.09126001812112723
Energy: 0.015721373484625583
Energy: 0.014650948596272452
Energy: 0.09056679518141957
Energy: 0.09233678281646122
Energy: 0.09169690372263663
Energy: 0.09046883656805661
Energy: 0.014477266118016262
Energy: 0.09078291160975735
Energy: 0.09319184932185524
Energy: 0.10636811514873781
Energy: 0.0152478312218014
Energy: 0.014704496816855631
Energy: 0.0911388271224805
Energy: 0.015096406827123238
Energy: 0.01616940217893887
Energy: 0.1048118594253161
Energy: 0.09055492874212175
Energy: 0.014648117478958306
Energy: 0.10453823574098345
Energy: 0.09040275737171335
Energy: 0.10435564184197
Energy: 0.09123394666849088
Energy: 0.09053109852001938
Energy: 0.014988085730223073
Energy: 0.016553948856042385
Energy: 0.1042122578400922
Energy: 0.09172768859264177

minimum gb energy = 0.014416825948786198 eV
minimum distance =  2.47070238550066 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.3293183820019168
Energy: 1.3457187830449517
Energy: 1.3637192646032554
Energy: 1.3386102788035263
Energy: 1.3219262485506151
Energy: 1.3319610954751944
Energy: 1.3917831691339657
Energy: 1.3566244670409862
Energy: 1.2886213588171276
Energy: 1.4008496799265613
Energy: 1.333775191292582
Energy: 1.3414545395536661
Energy: 1.3023391286730752
Energy: 1.393873002975659
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Energy: 1.3514456904185386
Energy: 1.3586858948612803
Energy: 1.3130426484402795
Energy: 1.330474052737688
Energy: 1.2957071809367036
Energy: 1.27069284526555
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Energy: 1.3100680801954103
Energy: 1.3649379342977772
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Energy: 1.3048132983090914
Energy: 1.2548776892979312
Energy: 1.3318996096467997
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Energy: 1.4782854402683687
Energy: 1.2629434520169525
Energy: 1.3352235095338372
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Energy: 1.270925530155587
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Energy: 1.3115886655757303
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Energy: 1.2795558657709685
Energy: 1.3022038040105546
Energy: 1.2570958531438499
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Energy: 1.3713620474478294
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Energy: 1.349024113946021
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Energy: 1.3071895491941175
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Energy: 1.364592533743984
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Energy: 1.2666994009083856
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Energy: 1.2483032077761724
Energy: 1.2920658613015765
Energy: 1.2681244206778375
Energy: 1.2591510758421312
Energy: 1.2572352714312431
Energy: 1.329784337029544
Energy: 1.336301721805556
Energy: 1.4308969121104695
Energy: 1.2557838348518966
Energy: 1.2568256658990655
Energy: 1.3106705583806415
Energy: 1.332425959964233
Energy: 1.2632154490543592
Energy: 1.291701901957866
Energy: 1.2897460421369031
Energy: 1.2824509669769892
Energy: 1.3035294588601343
Energy: 1.2541316581552635
Energy: 1.4423272223427674
Energy: 1.3426578935089355
Energy: 1.4967321317377331
Energy: 1.5106382399423939
Energy: 1.3132375854250722
Energy: 1.289378585860477
Energy: 1.324188097235715
Energy: 1.272453510679822
Energy: 1.2925820713685579
Energy: 1.282383234481917
Energy: 1.3965760210523712
Energy: 1.3372292634032679
Energy: 1.2996055381897451
Energy: 1.3859239911554169
Energy: 1.4695136522848327
Energy: 1.464614433561001
Energy: 1.5021107364642339
Energy: 1.2467828746867045
Energy: 1.29588794910151
Energy: 1.3194823803944118
Energy: 1.3496010728405001
Energy: 1.3142309817319056
Energy: 1.2912378603474688
Energy: 1.410946238890476
Energy: 1.335506003406914
Energy: 1.255158178704898
Energy: 1.3209607397247378
Energy: 1.4257097024580772
Energy: 1.5341877692118833
Energy: 1.4648733159488474
Energy: 1.2595113771883322
Energy: 1.336435405012137
Energy: 1.2870362566059932
Energy: 1.428851364901235
Energy: 1.3322689127297263
Energy: 1.3143026928750454
Energy: 1.3352804979718804
Energy: 1.3383436401767081
Energy: 1.3303388521329458
Energy: 1.3325971164753094
Energy: 1.4485248797890347
Energy: 1.294875050144501
Energy: 1.2909696060475884

minimum gb energy = 1.2467828746867045 eV
minimum distance =  2.22042362795469 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 1.3910449278564894
Energy: 1.3664933076813919
Energy: 1.4239225480766728
Energy: 1.3599503138226585
Energy: 1.4067290834564492
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minimum gb energy = 1.3201877556895796 eV
minimum distance =  2.22630455474011 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.523986658559591
Energy: 1.3862273238805412
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Energy: 1.347483526350867
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Energy: 1.3587193236088522
Energy: 1.4508721107132738
Energy: 1.4519363801954102
Energy: 1.4047544824083604
Energy: 1.363087478297133
Energy: 1.3778430119564198
Energy: 1.4805193974722695
Energy: 1.3539446172156364
Energy: 1.3637453333709182
Energy: 1.4616543422476513
Energy: 1.4430139172651384
Energy: 1.4782962418510728
Energy: 1.352270892477557
Energy: 1.3608978344550857
Energy: 1.334321716437955
Energy: 1.3462060818887995
Energy: 1.3615185937100636
Energy: 1.4311960315330976
Energy: 1.3694116449788918
Energy: 1.4390296170585894
Energy: 1.4600440115663622
Energy: 1.45477157172431
Energy: 1.3371262984398502
Energy: 1.375759625879657
Energy: 1.3344403857844604
Energy: 1.3346112577913007
Energy: 1.363445578511169
Energy: 1.3722032459854545
Energy: 1.3757664938029477
Energy: 1.3362658270914516
Energy: 1.3346563071197102
Energy: 1.4150684316453386
Energy: 1.345635777246792
Energy: 1.3596199421874735
Energy: 1.3406702958466585
Energy: 1.354995782126392
Energy: 1.328597016239331
Energy: 1.3570310932566152
Energy: 1.3757067687727913
Energy: 1.422375954799249
Energy: 1.4181394349378444
Energy: 1.3945836800279183
Energy: 1.4122302279800096
Energy: 1.4678506536563083
Energy: 1.491974093850933
Energy: 1.3427272653008977
Energy: 1.3408040636857332
Energy: 1.3283313860604526
Energy: 1.3852894928345458
Energy: 1.454468099452944
Energy: 1.4005681803789445
Energy: 1.3531130126994544
Energy: 1.3640562859009553
Energy: 1.5220697363800961
Energy: 1.4505386274010004
Energy: 1.4361743078906342
Energy: 1.4128982600548865
Energy: 1.3295420225578267
Energy: 1.4984359861828422
Energy: 1.4311808359869946
Energy: 1.3495431214992726
Energy: 1.3699317815245642
Energy: 1.338858645698373
Energy: 1.4128255427880096
Energy: 1.4267607432874605
Energy: 1.4486347054209132
Energy: 1.5011725039440722
Energy: 1.3548673887735745

minimum gb energy = 1.285717512304469 eV
minimum distance =  2.23498758774053 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.5223619772480452
Energy: 1.2925974004936591
Energy: 1.3204984702953841
Energy: 1.2944695840872305
Energy: 1.3114242795564486
Energy: 1.2787993907839232
Energy: 1.3149195556809636
Energy: 1.2939582752112961
Energy: 1.2920837326721633
Energy: 1.2434632189804844
Energy: 1.3400237753080837
Energy: 1.5175354149640383
Energy: 1.513737623841742
Energy: 1.583228638427164
Energy: 1.3152759183105893
Energy: 1.5177733529344282
Energy: 1.2782827613401633
Energy: 1.2859714588425548
Energy: 1.279420261532169
Energy: 1.313605264704011
Energy: 1.3143780995026073
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Energy: 1.3094406376676624
Energy: 1.384912183611592
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Energy: 1.3478034706546544
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Energy: 1.3644837845764874
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Energy: 1.3337199394769272
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Energy: 1.587562968487555
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Energy: 1.5570983518348778
Energy: 1.5879317157715291
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Energy: 1.3274375234274878
Energy: 1.3260427650199234
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Energy: 1.2942479185652087
Energy: 1.2792448504802612
Energy: 1.2782211426144725
Energy: 1.559317299640388
Energy: 1.3007523480690888
Energy: 1.2942340890680186
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Energy: 1.3285311621422933
Energy: 1.3152466278763424
Energy: 1.2915169809402052
Energy: 1.3340557367026131
Energy: 1.3173881916928314
Energy: 1.2876498039112338
Energy: 1.304465421638077
Energy: 1.2860406853275348
Energy: 1.3266550635673295
Energy: 1.3431280847248914
Energy: 1.2924483893302152
Energy: 1.3748974341666433
Energy: 1.3376852010584543
Energy: 1.3273513489946747
Energy: 1.2970057713887837
Energy: 1.286263392084505
Energy: 1.2933105177337134
Energy: 1.282385395884557
Energy: 1.3501900637598914
Energy: 1.3127736409632478
Energy: 1.301860744701277
Energy: 1.3195506895287266
Energy: 1.321549138594141
Energy: 1.274046334337689
Energy: 1.2769352714002185
Energy: 1.2905459542743811
Energy: 1.3122403570494714
Energy: 1.326447812999416
Energy: 1.3459037291260512
Energy: 1.276054403209098
Energy: 1.3421922634863088
Energy: 1.3443083183306404
Energy: 1.5580371526168202
Energy: 1.28956128637116
Energy: 1.2790072388622378
Energy: 1.2941654997639067
Energy: 1.32110298688591
Energy: 1.3109087336554925
Energy: 1.2911006196383585
Energy: 1.3030092343591289
Energy: 1.2808204727272063
Energy: 1.3460844940105536
Energy: 1.280422735716522
Energy: 1.3254060374300825
Energy: 1.291896280284347
Energy: 1.515925124369855

minimum gb energy = 1.2434632189804844 eV
minimum distance =  2.22175438555644 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.8155478667433185
Energy: 1.3312671245051384
Energy: 1.4133566295923823
Energy: 1.3141285037701005
Energy: 1.2267442747321162
Energy: 1.2966399832622555
Energy: 1.3211488607097017
Energy: 1.4010519562386181
Energy: 1.4082763446048772
Energy: 1.248645864987545
Energy: 1.2563708789379802
Energy: 1.4958056277733336
Energy: 1.2565281467106726
Energy: 1.3238734285873
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Energy: 1.247193407640585
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Energy: 1.3439426668656747
Energy: 1.260066905546696
Energy: 1.2653369733637911
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Energy: 1.257980269724446
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Energy: 1.183023354233537
Energy: 1.1776965071378505
Energy: 1.1634118930179833
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Energy: 1.3023908066708327
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Energy: 1.3260574691510902
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Energy: 1.1433317701408774
Energy: 1.320956850034925
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Energy: 1.3606707765222652
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Energy: 1.214169250699742
Energy: 1.322670758292275
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Energy: 1.2653774282048458
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Energy: 1.356854700589745
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Energy: 1.2158581876790706
Energy: 1.214365729747254
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Energy: 1.3273335275138325
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Energy: 1.2136078691877197
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Energy: 1.4392793867468014
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Energy: 1.2428579868571092
Energy: 1.4144691088217598
Energy: 1.3429158428664763
Energy: 1.3561387672834515
Energy: 1.2510312181871033
Energy: 1.2433602711566685
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Energy: 1.2942386478538914
Energy: 1.2945328234147249
Energy: 1.3755777486924916
Energy: 1.4233916516074643
Energy: 1.3305291620867772
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Energy: 1.3488750018954436
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Energy: 1.322355126547194
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Energy: 1.3222391828494875
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Energy: 1.2898788506152625
Energy: 1.224505446894344
Energy: 1.1703623282527906
Energy: 1.1591248178195204
Energy: 1.2156448360606547
Energy: 1.3185859188192428
Energy: 1.2560138449546956
Energy: 1.2470608240580872
Energy: 1.2476887905907865
Energy: 1.319955272184918
Energy: 1.323613796602281
Energy: 1.41671173372711
Energy: 1.2910541348035594
Energy: 1.2289438663657457
Energy: 1.2479872144559523
Energy: 1.2587463390484153
Energy: 1.258394509809888
Energy: 1.2391272718857689
Energy: 1.2447397311489827
Energy: 1.2831733305702464
Energy: 1.3305895477772758
Energy: 1.4148714417047483
Energy: 1.3730954310681642
Energy: 1.3753009964551157
Energy: 1.2138539723334663
Energy: 1.2487031950946181
Energy: 1.264937892431924
Energy: 1.244112202625523
Energy: 1.2942027968237304
Energy: 1.3271878499139234
Energy: 1.2504983437494763
Energy: 1.4126755841055012
Energy: 1.357100710167028
Energy: 1.288536229070144
Energy: 1.2162640631213786
Energy: 1.2370027378093438
Energy: 1.1970131118437897
Energy: 1.353333842659591
Energy: 1.3291098920071798
Energy: 1.3183361616156695
Energy: 1.3585444534345437
Energy: 1.33110304944862
Energy: 1.3322811718313916
Energy: 1.3570650876994228
Energy: 1.4127230534445163
Energy: 1.3418771048529246

minimum gb energy = 1.1433317701408774 eV
minimum distance =  2.20370084171146 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 1.124958276270294
Energy: 1.275944318501159
Energy: 1.2764923809343893
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Energy: 1.1135531039965978
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Energy: 1.135696623978127
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Energy: 1.2759279332094053
Energy: 1.1232357901982748
Energy: 1.125184588957942
Energy: 1.123429464392676
Energy: 1.1249530331000022
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Energy: 1.151730517439346
Energy: 1.1522097065521941
Energy: 1.2809113149258842
Energy: 1.2754438364434155
Energy: 1.3279373914176524
Energy: 1.4310149389891147
Energy: 1.4079541615026179
Energy: 1.275970143456013
Energy: 1.2767105727307486
Energy: 1.2765266826019441
Energy: 1.1511851537837041
Energy: 1.272526149267457
Energy: 1.1521522041470298
Energy: 1.120181107459185
Energy: 1.1191294972216739
Energy: 1.116410183463491
Energy: 1.322050511304737
Energy: 1.4305030600276734
Energy: 1.3922502820706857
Energy: 1.4161846060519732
Energy: 1.4185481755882314
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Energy: 1.279300162471279
Energy: 1.279080237110641
Energy: 1.1172603307603275
Energy: 1.1173123832506926
Energy: 1.122474505477138
Energy: 1.1200034019195673

minimum gb energy = 1.113253225854671 eV
minimum distance =  2.26708306025125 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.6172070088509725
Energy: 1.3573783302467188
Energy: 1.477497554110858
Energy: 1.2613397549981493
Energy: 1.3490197338291574
Energy: 1.5089695223996116
Energy: 1.4050571660363043
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Energy: 1.4228614090960738
Energy: 1.4690197401099252
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Energy: 1.2270271372093333
Energy: 1.3830696017646416
Energy: 1.2599967884275185
Energy: 1.4301840400121906
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Energy: 1.464339003085445
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Energy: 1.2381056222942421
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Energy: 1.2344044226925142
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Energy: 1.2357579357895534
Energy: 1.2452324873167748
Energy: 1.4391917393146516
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Energy: 1.425758181004873
Energy: 1.3664210248848798
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Energy: 1.2247019138832773
Energy: 1.2339253011656994
Energy: 1.2288957478138696
Energy: 1.2286738992233004
Energy: 1.358582655349
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Energy: 1.3496124792354691
Energy: 1.4049466146672347
Energy: 1.437032633520908
Energy: 1.3584207528138652
Energy: 1.4712262396999376

minimum gb energy = 1.1914549302460733 eV
minimum distance =  2.23820448942869 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 2.104970251703644
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Energy: 1.2258898610892919
Energy: 1.2521578223560583
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Energy: 1.2257016879992357
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Energy: 1.2239340963200054
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Energy: 1.1968957220235812
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Energy: 1.2061525255259278
Energy: 1.203753645322905
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Energy: 1.1716516912834423
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Energy: 1.202345734224042
Energy: 1.1894440958676682
Energy: 1.1885762953522157
Energy: 1.2323124017008407
Energy: 1.2218084421584041

minimum gb energy = 1.17023878649128 eV
minimum distance =  2.26659625411738 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.3804880552186332
Energy: 1.3910779713153145
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Energy: 1.6079012640828192
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Energy: 1.3743058898960105
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minimum gb energy = 1.325875866429564 eV
minimum distance =  2.23857616262082 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.386314749716817
Energy: 1.4367630542310197
Energy: 1.5073688772987623
Energy: 1.4356860940721132
Energy: 1.3979602810971832
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Energy: 1.4252663420657776
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Energy: 1.5919970863043706
Energy: 1.445674995932581
Energy: 1.4597462285983058
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Energy: 1.3541773388372724
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Energy: 1.4002858274307854
Energy: 1.399564036561668
Energy: 1.4668963053872788
Energy: 1.3476652429702143
Energy: 1.4765481761789079
Energy: 1.4092714919687817
Energy: 1.4460373039091883
Energy: 1.4822152516221354
Energy: 1.4700069930455009
Energy: 1.4134393513370727
Energy: 1.5398761241915306
Energy: 1.3809608100882051
Energy: 1.3316727450861663
Energy: 1.3765017350416477
Energy: 1.3645533806531953
Energy: 1.391663818147116
Energy: 1.3795919748780612
Energy: 1.469145568602375
Energy: 1.4583305333917924
Energy: 1.5642575350550574
Energy: 1.3994556434435899
Energy: 1.3992639442116677
Energy: 1.3155529507719668
Energy: 1.3285739522734277
Energy: 1.3536049240373733
Energy: 1.4110036560232693
Energy: 1.4398827191844266
Energy: 1.4734522227235076
Energy: 1.4187543247707948
Energy: 1.4120800355386458
Energy: 1.404510071837091
Energy: 1.3793889798618535
Energy: 1.3185806550588632
Energy: 1.3542498379445433
Energy: 1.3642804537891262
Energy: 1.6703880032644236
Energy: 1.3462043040887242
Energy: 1.4248404201946774
Energy: 1.4383083362764666

minimum gb energy = 1.315201655444235 eV
minimum distance =  2.24059314682195 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 1.2935543044757492
Energy: 1.337932734238051
Energy: 1.4733034044743063
Energy: 1.2394148129202531
Energy: 1.3596520358095558
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Energy: 1.2195694951728686
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Energy: 1.2272678851629442
Energy: 1.2600015985175697
Energy: 1.4127664966917417
Energy: 1.2812090017352997
Energy: 1.4140051192170828
Energy: 1.213279353244438
Energy: 1.3443000351253318
Energy: 1.2209739406110571
Energy: 1.2337931459166567
Energy: 1.227682167675682
Energy: 1.2212322734279486
Energy: 1.412157689053106
Energy: 1.2608813112909638
Energy: 1.2701340347542227
Energy: 1.244728444824513
Energy: 1.3082254049724122
Energy: 1.2215963173356443
Energy: 1.2785722662556238
Energy: 1.2804316857929898
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Energy: 1.2474363693099073
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Energy: 1.3908300416708241
Energy: 1.439097788094323
Energy: 1.2776756900747588
Energy: 1.39943396798991
Energy: 1.395183522274393
Energy: 1.2791107548318004
Energy: 1.2302347183997882
Energy: 1.2189608965791958
Energy: 1.2273141394713878
Energy: 1.2838679727684885
Energy: 1.3991828432669424
Energy: 1.3066039166651828
Energy: 1.2822946859054332
Energy: 1.280653703508045
Energy: 1.473098451915779
Energy: 1.237008794430692
Energy: 1.2716749470789008
Energy: 1.2771108276994116
Energy: 1.2204681091165825
Energy: 1.223248660623462
Energy: 1.2361399103484063
Energy: 1.259796295939727
Energy: 1.4114430838776402
Energy: 1.220738782303469
Energy: 1.280751592157238
Energy: 1.2626885871044438
Energy: 1.2203683787066224
Energy: 1.2293040810429245
Energy: 1.2252603582934565
Energy: 1.246753800497486
Energy: 1.2769098937323975
Energy: 1.2606501702178265
Energy: 1.3052395612530154
Energy: 1.4393830000761212
Energy: 1.2407866808061985
Energy: 1.472392769521894
Energy: 1.2829608753537802
Energy: 1.2953902248445193
Energy: 1.2377010627064735
Energy: 1.23107732619365
Energy: 1.2268699399429737
Energy: 1.2507174652079882
Energy: 1.39877972586959
Energy: 1.2607277815300444
Energy: 1.2795460769596188
Energy: 1.4014581766830154
Energy: 1.3919342791553955
Energy: 1.3287037367143928
Energy: 1.2281990042862685
Energy: 1.225923398318651
Energy: 1.2826189303528786
Energy: 1.2867340163849548
Energy: 1.2525001535703344

minimum gb energy = 1.110683826158516 eV
minimum distance =  2.29201652289104 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 1.3520497676376364
Energy: 1.370169826421281
Energy: 1.3521311356718524
Energy: 1.3413474218139252
Energy: 1.3316832266284755
Energy: 1.4450369818998978
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Energy: 1.4270638108085671
Energy: 1.3594519756896253
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Energy: 1.3302199535355248
Energy: 1.3373010104430483
Energy: 1.545624447295821
Energy: 1.3814193816560885
Energy: 1.3571570202690224
Energy: 1.356395155724587
Energy: 1.5069884720124767
Energy: 1.3527657319727708
Energy: 1.3677225844905907
Energy: 1.3665815011620386
Energy: 1.339339230352013
Energy: 1.3558332717652626
Energy: 1.3239000601822737
Energy: 1.2981722036701528
Energy: 1.3042803866602959
Energy: 1.4327960873787584
Energy: 1.2838185709821268
Energy: 1.541081076516129
Energy: 1.5515941045459456
Energy: 1.5437989127864264
Energy: 1.3737681654802119
Energy: 1.3481257138807505
Energy: 1.3161377806294452
Energy: 1.3181351203931233
Energy: 1.3559867518548163
Energy: 1.459805055861532
Energy: 1.4414550119751937
Energy: 1.5689181154195917
Energy: 1.5030669778023966
Energy: 1.3636495239751045
Energy: 1.3533158752336483
Energy: 1.3387513274487983
Energy: 1.3613518093944525
Energy: 1.3552130473637325
Energy: 1.5257464842359616
Energy: 1.4987901798664858
Energy: 1.506007192639205
Energy: 1.4314858019873913
Energy: 1.465518685069238
Energy: 1.3329667842595445
Energy: 1.315103666154879
Energy: 1.3828184924243203
Energy: 1.4724529309568
Energy: 1.3871436514124718
Energy: 1.401418860560632
Energy: 1.345634448243145
Energy: 1.3269266096300594
Energy: 1.460036624792672
Energy: 1.4131862332342728
Energy: 1.3574849319182616
Energy: 1.3948835352093378
Energy: 1.3787749847390585
Energy: 1.3802873035349816
Energy: 1.3549657347738389
Energy: 1.3860762452569997
Energy: 1.3920148203467781
Energy: 1.408584626738073
Energy: 1.4545849233857775
Energy: 1.3958050004750846
Energy: 1.443325709359966
Energy: 1.4729676371732756
Energy: 1.3505495003024188
Energy: 1.3705098480664368
Energy: 1.371657992475885
Energy: 1.4177624855248963
Energy: 1.408983469165214
Energy: 1.3848854804043822
Energy: 1.4256401962582261
Energy: 1.3860073173510665
Energy: 1.4085157021297607
Energy: 1.4555565238222277
Energy: 1.4024080610514449
Energy: 1.3744304919288362
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Energy: 1.3896494909386927
Energy: 1.415847211077521
Energy: 1.3821316704056483
Energy: 1.3830967242592809
Energy: 1.3823836830329195
Energy: 1.337438830728019
Energy: 1.3875815237273974
Energy: 1.4344151934176599
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Energy: 1.3720038736331794
Energy: 1.4185772119719224
Energy: 1.5020089156771292
Energy: 1.4088600752909992
Energy: 1.4086504188322324
Energy: 1.4048899918060413
Energy: 1.43413360294882
Energy: 1.4090177763901035
Energy: 1.408224561295991
Energy: 1.4190098495343468
Energy: 1.3833357399065263
Energy: 1.3819565260495228
Energy: 1.4846467417401004
Energy: 1.4441047854709612
Energy: 1.397572289088991
Energy: 1.500781093742871
Energy: 1.4058477248534802
Energy: 1.3922435420386126
Energy: 1.4313867395875166
Energy: 1.458661740147949
Energy: 1.5150795038632667
Energy: 1.4754860509695606
Energy: 1.451744077462527
Energy: 1.356271861058235
Energy: 1.3437885265567564
Energy: 1.5122578919847987
Energy: 1.3262464394654148
Energy: 1.3452043031337495
Energy: 1.5434902506324633
Energy: 1.5006833525554162
Energy: 1.3509052199329112
Energy: 1.354903570883771
Energy: 1.3160847166375649
Energy: 1.3165500362733153
Energy: 1.4875793657708436
Energy: 1.4231107670790282
Energy: 1.3610440642819093
Energy: 1.4988744043044129
Energy: 1.3613114074643864
Energy: 1.3234724783369094
Energy: 1.3138794209869578
Energy: 1.31311166963107
Energy: 1.3125574743206994
Energy: 1.3688683755908548
Energy: 1.50364646448513
Energy: 1.4707792185190312
Energy: 1.4458956691224947
Energy: 1.4569389390341168
Energy: 1.3778545005974874
Energy: 1.2974791664460426
Energy: 1.2965642008362892
Energy: 1.3562505762268677
Energy: 1.356143753648091
Energy: 1.3376854972841439
Energy: 1.5515243690795497
Energy: 1.5662697858627581
Energy: 1.4041140469765347
Energy: 1.4349856331361859
Energy: 1.3597131755998813
Energy: 1.3829884992848314
Energy: 1.55521834539347
Energy: 1.3173646403288584
Energy: 1.5603814102491491
Energy: 1.3518822486168969
Energy: 1.379469085846203
Energy: 1.3588514992234564
Energy: 1.4246998320081214
Energy: 1.3380314111913147
Energy: 1.5563052514275089
Energy: 1.5473289427188073
Energy: 1.3820591102549624
Energy: 1.3589942188060213
Energy: 1.3243755120231249
Energy: 1.3154658820929581
Energy: 1.3414629649859107
Energy: 1.4278033260442655
Energy: 1.3781871744266643
Energy: 1.448267974711331
Energy: 1.396768569853185
Energy: 1.3786430924628403
Energy: 1.342631468485584
Energy: 1.3709690374431214
Energy: 1.3373930558067875
Energy: 1.3417022858075602
Energy: 1.3176117263693063
Energy: 1.4440842872385526
Energy: 1.4712711659302387
Energy: 1.410063413462846
Energy: 1.33698583174051
Energy: 1.4244572846741337
Energy: 1.3398978900695764
Energy: 1.335511649548618
Energy: 1.3775289549608294
Energy: 1.3828929213957155
Energy: 1.5234075228872153
Energy: 1.5240362837757275
Energy: 1.46212045172032
Energy: 1.4441004530576196
Energy: 1.3358145403175554
Energy: 1.3766543204086958
Energy: 1.3698501140444193
Energy: 1.3877848244429825
Energy: 1.4149844381657415
Energy: 1.40077667927155
Energy: 1.4470011005088539
Energy: 1.3252035057018947
Energy: 1.342610208867498
Energy: 1.4104286974820726
Energy: 1.400447012089006
Energy: 1.465150687598706
Energy: 1.4504286418702161
Energy: 1.4164378993124187
Energy: 1.3868840798132636
Energy: 1.37638164935695
Energy: 1.4420088799093225
Energy: 1.4651617902592586
Energy: 1.4081282256799672
Energy: 1.4703279333748238
Energy: 1.3437501163166397
Energy: 1.3581131710534153
Energy: 1.4420797769402562
Energy: 1.3563077362871263
Energy: 1.4156706957053122
Energy: 1.4193390124743632
Energy: 1.4581048985484393
Energy: 1.481611513693191
Energy: 1.3838550423964469
Energy: 1.46538533482219
Energy: 1.3618366488564555
Energy: 1.3675680100958292
Energy: 1.4737776647437268
Energy: 1.4174948547100663
Energy: 1.4113755185797572
Energy: 1.3648399113329852
Energy: 1.3668713838874116
Energy: 1.3509437757914602
Energy: 1.4416697309359099
Energy: 1.3644010844397096
Energy: 1.4429624106197503
Energy: 1.4146641716413886
Energy: 1.3229006919397481
Energy: 1.35225861828353
Energy: 1.3358789785733944
Energy: 1.3363773377229975
Energy: 1.3387529011532777
Energy: 1.3919050402934974
Energy: 1.469179749843963
Energy: 1.4275100222358643
Energy: 1.4099535598576562
Energy: 1.4335996966993299
Energy: 1.3627781813449644
Energy: 1.315011657780897
Energy: 1.331370719124426
Energy: 1.357384949727455
Energy: 1.382696710012262
Energy: 1.5528778356626765
Energy: 1.4697543752219286
Energy: 1.4058906623394993
Energy: 1.38413445050835
Energy: 1.3769557144712983
Energy: 1.3793040499164668
Energy: 1.3675039252508467
Energy: 1.3309302569989485
Energy: 1.3520646529917857
Energy: 1.544967914623707
Energy: 1.3826987662245602
Energy: 1.360847312835126
Energy: 1.3516945278409656

minimum gb energy = 1.2838185709821268 eV
minimum distance =  2.25061420134715 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.600824674026611
Energy: 1.3388407681674082
Energy: 1.3470403793908443
Energy: 1.4016491178336639
Energy: 1.519884857680279
Energy: 1.4338748832207415
Energy: 1.438871343202487
Energy: 1.3560585993378311
Energy: 1.3536385350251268
Energy: 1.3450319431356854
Energy: 1.4809888405870004
Energy: 1.3437348452987705
Energy: 1.4432665828293598
Energy: 1.5846763150328655
Energy: 1.3565706445848469
Energy: 1.3099111470549183
Energy: 1.3266337737517708
Energy: 1.3443143662237178
Energy: 1.443794231382159
Energy: 1.6032127795205666
Energy: 1.5044622606837228
Energy: 1.372288904235847
Energy: 1.5956446435933995
Energy: 1.3975276131651997
Energy: 1.3375094874313906
Energy: 1.3415893950470543
Energy: 1.349048174059447
Energy: 1.3498739306350995
Energy: 1.394594887727865
Energy: 1.549845210402172
Energy: 1.4455709737130895
Energy: 1.3825755082525146
Energy: 1.5296498181142963
Energy: 1.3365570035838668
Energy: 1.343213712312582
Energy: 1.3468101213881698
Energy: 1.353861945607896
Energy: 1.3105005849754365
Energy: 1.5959502130207017
Energy: 1.5684360545954745
Energy: 1.3551195371013982
Energy: 1.5216343370788694
Energy: 1.353694245603892
Energy: 1.3117183924603912
Energy: 1.4626736772295836
Energy: 1.4533798835567486
Energy: 1.4534590970271886
Energy: 1.5078306241975676
Energy: 1.4995014863616782
Energy: 1.3584450943615323
Energy: 1.377355899956282
Energy: 1.5720702119258072
Energy: 1.372915204125159
Energy: 1.5061048342473344
Energy: 1.4410801395303277
Energy: 1.3501674598192799
Energy: 1.3523565995660922
Energy: 1.3675245339160844
Energy: 1.4761892614216083
Energy: 1.312926455185639
Energy: 1.288567285209695
Energy: 1.3828216360877428
Energy: 1.352159836216691
Energy: 1.3982385849826608
Energy: 1.442093390042712
Energy: 1.3342373988478329
Energy: 1.4566187325589637
Energy: 1.4534775000919995
Energy: 1.4399945929731768
Energy: 1.3464300018715085
Energy: 1.288246286617259
Energy: 1.3100761247957737
Energy: 1.3387941550420466
Energy: 1.4068602011105624
Energy: 1.4600762112871695
Energy: 1.4245152095284204
Energy: 1.3506681575146575
Energy: 1.3452458004788077
Energy: 1.3496517823360508
Energy: 1.2978102886699767
Energy: 1.4761332790448025
Energy: 1.3417906054309132
Energy: 1.440291415542257
Energy: 1.465710432833927
Energy: 1.3534712615853628
Energy: 1.3350145021778126
Energy: 1.322404552127764
Energy: 1.3233751924648482
Energy: 1.3971962412480365
Energy: 1.571973116593801
Energy: 1.436712723268153
Energy: 1.3746793508127924
Energy: 1.481144674970779
Energy: 1.3753558388904095
Energy: 1.3389740970761101
Energy: 1.3224015142573853
Energy: 1.3473166634909144
Energy: 1.3284525030158973
Energy: 1.3649472718171842
Energy: 1.5221156851001025
Energy: 1.3372354793835244
Energy: 1.3498896874076904
Energy: 1.585740595594803
Energy: 1.346523556054358
Energy: 1.3464559091952009
Energy: 1.3342821718983326
Energy: 1.421974196707827
Energy: 1.4636682402234458
Energy: 1.5568804665180906
Energy: 1.3372475193304671
Energy: 1.3475504540166499
Energy: 1.5427945395223488
Energy: 1.3285129440354517
Energy: 1.4515974830153742
Energy: 1.4471752021491326
Energy: 1.3576299540115335
Energy: 1.33737210863406
Energy: 1.4144158214316753
Energy: 1.4757615256932357
Energy: 1.3913205081997735
Energy: 1.3743743024349524
Energy: 1.6006695547489882
Energy: 1.3200347666441457
Energy: 1.4788740530259366
Energy: 1.4210506241417975
Energy: 1.332408069313548
Energy: 1.3542350248182642
Energy: 1.4479733842901947
Energy: 1.4383478217612262
Energy: 1.3441613939608956
Energy: 1.5642079338381891
Energy: 1.3336830379021785
Energy: 1.3539447822736932
Energy: 1.4016377676647056
Energy: 1.3485464060476744
Energy: 1.510757722625443
Energy: 1.4492823404310815
Energy: 1.3785218662832193
Energy: 1.3338976349528477
Energy: 1.2935475931474463

minimum gb energy = 1.288246286617259 eV
minimum distance =  2.24965504103552 Angstroms
sigma value = 33