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=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403038978577
cohesive_energy=3.8927084030558796
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.72868889167578e-20, 1.88034654119508e-19, 2.46448412018514e-19, 3.0013574884721997e-19, 3.53749385550762e-19, 4.04035301385486e-19, 4.47627323243358e-19, 4.83900602237118e-19, 5.13207617226246e-19, 5.36365478294082e-19, 5.547841008785459e-19, 5.6960423474304595e-19, 5.81623763851314e-19, 5.91429084851394e-19, 5.994543876110999e-19, 6.05988063924552e-19, 6.11212761928026e-19, 6.152774840484839e-19, 6.18321619653084e-19, 6.20518203818298e-19, 6.22025852030892e-19, 6.22975942774854e-19, 6.23475821884662e-19, 6.2363123301816e-19, 6.23448584881884e-19, 6.2283014470116e-19, 6.21650942698536e-19, 6.197635786236839e-19, 6.170014261066679e-19, 6.132331066635e-19, 6.083721027559439e-19, 6.023222837859599e-19, 5.949218299135139e-19, 5.8584389710527e-19, 5.746863390260939e-19, 5.609316526232039e-19, 5.4365858633205e-19, 5.205039296174819e-19, 4.8676529405871e-19, 4.358769598096019e-19, 3.60251018331534e-19, 2.53707874347168e-19, 1.087472583797598e-19, -8.56725502792284e-20, -3.72307397502384e-19, -8.31367853205966e-19, -1.61714096376156e-18, -3.07928735994996e-18, -6.07359527123256e-18, -1.2797401885841339e-17, -2.9464348734586794e-17, -7.665966584232479e-17]
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: 0.01795279492373782
Energy: -0.6137835062914998
Energy: 0.7254433822201991
Energy: 0.11937728131480185
Energy: 0.2911998128988434
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Energy: 0.01863580580541164
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Energy: -0.9735427206221832
Energy: 0.018566577287544694
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Energy: -1.7998845209064855
Energy: -1.8339855862045225
Energy: -1.7613521209238925
Energy: -0.9815937206313253
Energy: 0.01962323957878166
Energy: -1.971589108041325
Energy: -1.9662808936019989
Energy: -1.8833049751507287
Energy: -1.7277220025947133
Energy: -0.7036097428336553
Energy: -1.7889564851758044
Energy: -1.024632278865487
Energy: -1.6462644621779015
Energy: -1.5094629793202647
Energy: -1.7509428772251452
Energy: -1.7785145990142983
Energy: -0.5858017943468176
Energy: -0.951070835528787
Energy: 0.018503623013207602
Energy: -1.743654079737263
Energy: -2.4667638257751396
Energy: -1.7795839191777012
Energy: -1.8558594408702402
Energy: -0.9528984275738196
Energy: -0.9616307850885449

minimum gb energy = -2.4667638257751396 eV
minimum distance =  2.42146911772769 Angstroms
sigma value = 5


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

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minimum gb energy = -4.249525161264644 eV
minimum distance =  2.18634875541339 Angstroms
sigma value = 401


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

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minimum gb energy = -4.446848748643832 eV
minimum distance =  2.17090276358965 Angstroms
sigma value = 311


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

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minimum gb energy = -2.133358875347504 eV
minimum distance =  2.22778319811111 Angstroms
sigma value = 39


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

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Energy: -2.731537694742239
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Energy: -2.423223436992165
Energy: -1.2223541735214016
Energy: -2.7929026501200633
Energy: -2.2893923484102183

minimum gb energy = -3.2448082805213585 eV
minimum distance =  2.21278162175163 Angstroms
sigma value = 21


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

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Energy: -1.4495362805001715

minimum gb energy = -2.227051839702602 eV
minimum distance =  2.22426365215739 Angstroms
sigma value = 113


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

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minimum gb energy = -6.357371724951087 eV
minimum distance =  2.1697502567844 Angstroms
sigma value = 365


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

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Energy: -2.2229753714357985
Energy: -2.072188890373764
Energy: -2.067584143748154
Energy: -2.241296541098574
Energy: -1.4290166156455215
Energy: -1.4802916363449514
Energy: -1.807539837900911
Energy: -2.657403217441075
Energy: -1.9226931652905108
Energy: -2.1862014377952543
Energy: -2.479439537930067
Energy: -2.097007036255942
Energy: -2.123657086786433
Energy: -1.540778297060474
Energy: -2.1099878941997248
Energy: -1.5252894068984346
Energy: -2.080846028773607
Energy: -2.2156461485721737
Energy: -1.5316634595364476
Energy: -1.4117150873073787
Energy: -1.7743267801291285
Energy: -1.594172900842123
Energy: -1.9728886557006244
Energy: -2.0373979576740613
Energy: -1.9467349649149492
Energy: -2.1829236126104976
Energy: -2.2147406245908607
Energy: -1.7816645660432626
Energy: -1.5975806854105905
Energy: -2.1812648321660717
Energy: -2.411181119642026
Energy: -1.5906673984359492
Energy: -2.196561610071899
Energy: -2.1197683044607594
Energy: -1.5273072870075421
Energy: -2.220024234290904
Energy: -2.0971831623286663
Energy: -2.081687335952645
Energy: -2.2633930965116638
Energy: -1.529332089165571
Energy: -3.161777459524369
Energy: -1.7992829013727472
Energy: -1.9302611259014895
Energy: -1.8987077845216564
Energy: -1.899163355091691
Energy: -2.800906392780394
Energy: -2.177607077634111
Energy: -2.1838180782053227
Energy: -1.9634873032922553
Energy: -2.3270603351670722
Energy: -1.8408626251268068
Energy: -2.083127383558112
Energy: -2.2650761753070405
Energy: -1.4340937485715455

minimum gb energy = -3.161777459524369 eV
minimum distance =  2.3205133286812 Angstroms
sigma value = 23