Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658099144697189
cohesive_energy=3.753663665727904
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=[7.8191827357419e-20, 1.6682503983861599e-19, 2.2475494039415395e-19, 2.78205155081028e-19, 3.3167139153424194e-19, 3.8186918765409595e-19, 4.2541314421294795e-19, 4.61657584027296e-19, 4.90953383779986e-19, 5.14104836141286e-19, 5.32520254372482e-19, 5.47337183883714e-19, 5.593535086387139e-19, 5.6915722746216e-19, 5.771793258685979e-19, 5.8371300218205e-19, 5.88937700185524e-19, 5.930024223059819e-19, 5.96048160087216e-19, 5.98243142075796e-19, 5.99752392465024e-19, 6.00700881032352e-19, 6.012007601421599e-19, 6.013561712756579e-19, 6.01175125316016e-19, 6.005582873119259e-19, 5.993838918392039e-19, 5.97504538647522e-19, 5.947519991903099e-19, 5.9099329280694595e-19, 5.86143504135828e-19, 5.801049004022819e-19, 5.727156617662739e-19, 5.63652148547736e-19, 5.525106122349e-19, 5.3877194759835e-19, 5.215245161333399e-19, 4.9842112907106e-19, 4.6477541975706e-19, 4.140280770517439e-19, 3.38562353237076e-19, 2.3218743779928e-19, 8.74033816969386e-20, -1.067700121957404e-19, -3.92791225768074e-19, -8.50791040539948e-19, -1.6345726455394797e-18, -3.0927456436755597e-18, -6.07852997526528e-18, -1.278279003493926e-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: -0.141421623913241 eV

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

Energy: 0.015996042787988635
Energy: 0.016798960563642672
Energy: -1.2480314266437873
Energy: -0.7798070104568069
Energy: 0.017165931414690673
Energy: 0.01685455632308225
Energy: -0.8694263906340182
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Energy: -0.8222829702207436
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Energy: -1.322960071905462
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Energy: -0.8528013109546744
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Energy: -0.6751408240015568
Energy: -0.6787891155764376
Energy: -1.2411982377240578
Energy: -0.9817039037343946
Energy: 0.02177469149643597
Energy: -1.0384047533754568
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Energy: -0.6879236866337041
Energy: 0.016915618498796036
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Energy: -0.8059081068304427
Energy: -0.8498221555664022
Energy: -0.7395014700406977
Energy: -0.8539876239082541
Energy: -0.8865334921852229
Energy: 0.016605969935011275
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Energy: -1.2344981753752553
Energy: -0.8077953435491472
Energy: -0.8971241589035468
Energy: -0.8546625719719059
Energy: -1.3057669321202614
Energy: -0.7608292461368803
Energy: -0.691566769124841
Energy: 0.021204496492935578
Energy: -0.9668741841188874
Energy: -1.1404306643880033
Energy: -1.0976195714047232
Energy: -0.6843845176693937
Energy: 0.020179137160125926
Energy: -0.9587559014492124
Energy: -0.9767340510968644
Energy: -0.6713725074546923
Energy: -0.6818686739818063
Energy: -1.2459010474925902
Energy: -0.853456472426668
Energy: -0.8790112896808
Energy: -0.6718642044524664
Energy: -0.858010391252631
Energy: -1.256769836449955
Energy: -0.8534742182048642

minimum gb energy = -1.322960071905462 eV
minimum distance =  2.36160603027417 Angstroms
sigma value = 3


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

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Energy: -4.216764027437322
Energy: -4.722398910129653

minimum gb energy = -6.774135602929668 eV
minimum distance =  2.2851222579639 Angstroms
sigma value = 75


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

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minimum distance =  2.19396313638773 Angstroms
sigma value = 105


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

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minimum gb energy = -3.8377618556665376 eV
minimum distance =  2.25938068984605 Angstroms
sigma value = 165


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

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Energy: -1.54986822306336

minimum gb energy = -5.029081335514238 eV
minimum distance =  2.20251815275659 Angstroms
sigma value = 41


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

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minimum distance =  2.27136382189342 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
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minimum gb energy = -2.9198753253824163 eV
minimum distance =  2.26155689264761 Angstroms
sigma value = 33


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

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minimum gb energy = -3.3421257061812706 eV
minimum distance =  2.24907852084123 Angstroms
sigma value = 219


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

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minimum gb energy = -1.744222420284985 eV
minimum distance =  2.26893040169839 Angstroms
sigma value = 15


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

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minimum gb energy = -6.8888117950508825 eV
minimum distance =  2.22566671491193 Angstroms
sigma value = 293


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

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minimum gb energy = -3.5756549805498454 eV
minimum distance =  2.25944288852974 Angstroms
sigma value = 293


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

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minimum gb energy = -3.311143843466312 eV
minimum distance =  2.27391564062253 Angstroms
sigma value = 15


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

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minimum gb energy = -3.707507807258037 eV
minimum distance =  2.1872135298453 Angstroms
sigma value = 437


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

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minimum gb energy = -3.950182114521864 eV
minimum distance =  2.24629963203084 Angstroms
sigma value = 33