Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
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=2.8599988371133813
cohesive_energy=4.2806306056621946
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=[1.014876358334424e-19, 2.31572201971824e-19, 3.16857666376278e-19, 3.77181218823012e-19, 4.2624307170935996e-19, 4.70652203650572e-19, 5.11937091155484e-19, 5.481270569642759e-19, 5.780637273705659e-19, 6.016589826594839e-19, 6.198004286862659e-19, 6.336432348040259e-19, 6.44180750525844e-19, 6.523951101283619e-19, 6.590120996267819e-19, 6.645492220738859e-19, 6.693797846253961e-19, 6.736479831783719e-19, 6.7730575243379395e-19, 6.803178445057139e-19, 6.82668237627792e-19, 6.843537274467599e-19, 6.853951422588599e-19, 6.85778062474386e-19, 6.852942051309179e-19, 6.83581478309172e-19, 6.802040899646999e-19, 6.746445370447199e-19, 6.6630040113484795e-19, 6.5452920940485e-19, 6.38621197605864e-19, 6.175910271079799e-19, 5.899983411172319e-19, 5.540743366296839e-19, 5.07678505662312e-19, 4.48204106831598e-19, 3.72470819519052e-19, 2.7654369791157e-19, 1.550203626169674e-19, 2.46613436211816e-22, -1.9705490856892797e-19, -4.5155746252656e-19, -7.81860595215366e-19, -1.2090201119593738e-18, -1.7621699926712397e-18, -2.4800893206003e-18, -3.4196056987778996e-18, -4.6832103664810194e-18, -6.44757534114084e-18, -8.95110450589656e-18, -1.249776281175066e-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
========================================

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Energy: -0.2047810417345188
Energy: -0.06216512822216729
Energy: -0.06483427678137789
Energy: -0.10169351381030213

minimum gb energy = -0.43504540163421546 eV
minimum distance =  2.46539819345604 Angstroms
sigma value = 3


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

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minimum gb energy = -5.63201691739295 eV
minimum distance =  2.3513633129613 Angstroms
sigma value = 75


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

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minimum distance =  2.32891630600659 Angstroms
sigma value = 105


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

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minimum distance =  2.32909040890105 Angstroms
sigma value = 165


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

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minimum gb energy = -4.102422124264876 eV
minimum distance =  2.34421980955578 Angstroms
sigma value = 41


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

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minimum distance =  2.33046299116292 Angstroms
sigma value = 185


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

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minimum gb energy = -4.27301888100819 eV
minimum distance =  2.28982704597265 Angstroms
sigma value = 33


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

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minimum gb energy = -3.618888981492012 eV
minimum distance =  2.27054671866443 Angstroms
sigma value = 219


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

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minimum gb energy = -4.0601707233115985 eV
minimum distance =  2.30818000387775 Angstroms
sigma value = 15


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

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Energy: -4.839249710632473
Energy: -5.236167753945209

minimum gb energy = -7.3166616849247035 eV
minimum distance =  2.34199515585358 Angstroms
sigma value = 293


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

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minimum gb energy = -3.681855795415545 eV
minimum distance =  2.31598809690992 Angstroms
sigma value = 293


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

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minimum gb energy = -3.974766070595873 eV
minimum distance =  2.36352203296488 Angstroms
sigma value = 15


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

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minimum gb energy = -5.262076044933488 eV
minimum distance =  2.33028999446558 Angstroms
sigma value = 437


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

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Energy: -4.978107491217815
Energy: -5.478885730857853
Energy: -5.022820132044068
Energy: -5.72416820027526
Energy: -5.067869120196679
Energy: -5.218530020873596
Energy: -6.249948230013382
Energy: -6.688342260397535
Energy: -4.942266057024664
Energy: -6.757245087100157
Energy: -5.768672543618857
Energy: -4.640177154520476
Energy: -5.098712482151698
Energy: -4.967493069639445
Energy: -5.052176650409579
Energy: -5.599702442187976
Energy: -5.082131395540812
Energy: -4.776153611964141
Energy: -6.0610336157193165
Energy: -4.7639595379825685
Energy: -6.088882868279949
Energy: -5.624973369747187
Energy: -5.930276912900867
Energy: -5.79143793354687
Energy: -5.768553601330182
Energy: -5.538795362878382
Energy: -5.176382169708915
Energy: -4.877013533051014
Energy: -5.35506752454966
Energy: -5.146471385323835
Energy: -5.3103069621506265
Energy: -5.706194054368827
Energy: -5.960880493911599
Energy: -5.959642736200365
Energy: -6.0923802166834236
Energy: -5.024425826787804
Energy: -6.273547635209935
Energy: -5.219776542987354
Energy: -5.338134110371816
Energy: -5.791271166697505
Energy: -6.054824018476345
Energy: -5.327535478721853
Energy: -6.007684393931159
Energy: -6.0374969505150915
Energy: -5.911010681330834
Energy: -4.943048457136167
Energy: -6.358580408837927
Energy: -5.331457930786025
Energy: -5.1093739819594886
Energy: -4.7574528811197885
Energy: -5.907165764178154
Energy: -5.44669895628718
Energy: -5.761848145837604
Energy: -5.93505653748032
Energy: -5.471996054976076
Energy: -5.527558294980281
Energy: -5.6696129719889985
Energy: -5.7010923517275724
Energy: -6.611093800926857
Energy: -4.561938291124858
Energy: -4.914349871181922
Energy: -4.905264384518164
Energy: -5.883939937088446
Energy: -5.856878000264292
Energy: -5.318864598032039
Energy: -5.2994857935576585
Energy: -4.902475781244013
Energy: -5.590963145305854
Energy: -4.708535891204734
Energy: -5.924883697137977
Energy: -5.745471311717486
Energy: -5.4996689632464
Energy: -5.129210307407073
Energy: -4.71846068879229
Energy: -5.564775880295502
Energy: -4.885233819555925
Energy: -4.859262194076608
Energy: -6.281305051719519

minimum gb energy = -6.757245087100157 eV
minimum distance =  2.35032133325829 Angstroms
sigma value = 33