Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=3.62842905521393
cohesive_energy=4.196039813136094
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=[2.6230034763531e-21, 2.43335382818652e-20, 8.643566701000259e-20, 1.80762374377782e-19, 2.7724064474735995e-19, 3.5887635077956203e-19, 4.23964776535812e-19, 4.755756924468539e-19, 5.167980950630399e-19, 5.499246991476239e-19, 5.76610553163528e-19, 5.9810855923854e-19, 6.15397647296034e-19, 6.29253270826866e-19, 6.4029387001176e-19, 6.4901451743062205e-19, 6.558173594185859e-19, 6.610308421856219e-19, 6.649401531725819e-19, 6.677888232278339e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.667281822961259e-19, 6.6303676733139e-19, 6.58018750113702e-19, 6.51382534495674e-19, 6.427387915552439e-19, 6.315764269461659e-19, 6.172000960092839e-19, 5.98662912353904e-19, 5.746943499092639e-19, 5.43597703619958e-19, 5.03144345788092e-19, 4.50426325822956e-19, 3.8165770033840796e-19, 2.9184929129617196e-19, 1.74395324434266e-19, 2.0479822824104996e-20, -1.8171406729837798e-19, -4.4849730515562e-19, -8.045442119995379e-19, -1.2924118035824398e-18, -1.98892605168126e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.018172931009022515
Energy: -0.5429486091886757
Energy: -0.5568326589939537
Energy: -0.5483804061157755
Energy: 0.021355420821424387
Energy: 0.0194923395099048
Energy: -0.5476859183789434
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Energy: -0.551567365910977
Energy: 0.021035398402553907
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Energy: -0.5619686835879408
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Energy: -0.5423899497990489
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Energy: -0.5318630394641973
Energy: -0.546002522721318
Energy: -0.36337927549144494
Energy: 0.01856417756403834
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Energy: -0.5338595847285322
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Energy: 0.019031546587188253
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Energy: -0.3923561734470116
Energy: 0.019371272642098234
Energy: -0.3554660477975591
Energy: -0.5480004748751262
Energy: -0.5365786086785952
Energy: -0.410781180419031
Energy: -0.5354246185767554
Energy: -0.5463945167995896
Energy: -0.3531169372744051
Energy: 0.01931168870964254
Energy: -0.41675454349556174
Energy: -0.554038222629258
Energy: -0.56242695642162
Energy: -0.33831965835584193
Energy: -0.5321809143703088
Energy: -0.5445967324447584
Energy: 0.6355327593425163
Energy: -0.5471787650270142
Energy: 0.0189994385244702
Energy: -2.137165244695537
Energy: -0.5489539099715578
Energy: 0.6351030781281265
Energy: -0.554564907896923
Energy: 0.019191395904860846
Energy: -0.47719541151954226
Energy: -0.4153672895012187
Energy: -0.5400739484186841
Energy: -0.39688234272939416
Energy: -0.5592553008018133
Energy: -0.5594892496130415
Energy: -0.3221239198176223
Energy: -0.5365405829766744
Energy: -0.39486311043231825
Energy: -0.5400575400332002
Energy: -0.5562308446208262

minimum gb energy = -2.137165244695537 eV
minimum distance =  2.39270435695418 Angstroms
sigma value = 3


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

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Energy: -5.700042969338943
Energy: -3.521872419264207

minimum gb energy = -5.7071854667666315 eV
minimum distance =  2.2910852109202 Angstroms
sigma value = 75


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

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minimum distance =  2.27628978468331 Angstroms
sigma value = 105


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

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minimum gb energy = -3.6162119792222827 eV
minimum distance =  2.3249799780867 Angstroms
sigma value = 165


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

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Energy: -2.839124134224041

minimum gb energy = -4.201084491189945 eV
minimum distance =  2.28617529811314 Angstroms
sigma value = 41


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

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minimum distance =  2.2581517384539 Angstroms
sigma value = 185


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

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minimum gb energy = -4.684596491832527 eV
minimum distance =  2.32553799828569 Angstroms
sigma value = 33


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

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minimum gb energy = -2.0064837626088203 eV
minimum distance =  2.26601827259375 Angstroms
sigma value = 219


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

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Energy: 0.58155263729283

minimum gb energy = 0.08073346466253636 eV
minimum distance =  2.31011672697255 Angstroms
sigma value = 15


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

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Energy: -0.9921653416468983
Energy: -5.717798284898047
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Energy: -2.7660658720562825
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Energy: -5.83714655602884
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Energy: -0.7485087850390307
Energy: -0.13107402034676363
Energy: -0.8252431106796118
Energy: -3.1123667048373247
Energy: -1.4757071517514704
Energy: -0.6052768349415684
Energy: -5.28531847163656
Energy: -3.0154570320589777
Energy: -6.032081741237852
Energy: -5.925722286557774
Energy: -0.47134695208909133
Energy: -4.968284145244126
Energy: -0.10493511529651159
Energy: -0.7757040995690543
Energy: -0.19456733170297988

minimum gb energy = -6.79276971747461 eV
minimum distance =  2.27355109580514 Angstroms
sigma value = 293


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

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Energy: 0.9786092737476868
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Energy: 0.14240019829006312
Energy: 0.3022782382095989
Energy: 0.909590363716715
Energy: 0.93109003316502
Energy: 0.960708187758758

minimum gb energy = 0.001418255505998687 eV
minimum distance =  2.34234825126272 Angstroms
sigma value = 293


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

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Energy: 0.9993211374688136
Energy: 0.9894256120620358

minimum gb energy = -0.5082250639106318 eV
minimum distance =  2.33268254304876 Angstroms
sigma value = 15


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

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minimum gb energy = -2.061859913698473 eV
minimum distance =  2.28067359272506 Angstroms
sigma value = 437


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

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Energy: -0.6005316875725741
Energy: -0.6667389163413795
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Energy: -0.7100587381817876
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Energy: -0.44950065706360565
Energy: -0.6841502463413365
Energy: -0.5196538014848311
Energy: -0.6020291276298955
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Energy: -0.7732876106728964
Energy: -0.2521406767089076
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Energy: -0.6095954263336117
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Energy: -0.6935323544784078
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Energy: -0.654183275430895
Energy: -0.35528218521075405
Energy: -0.46830325341147305
Energy: -0.3687644529957858
Energy: -0.5622307223345606
Energy: -0.46372628605304556

minimum gb energy = -0.9463881757540958 eV
minimum distance =  2.29033943725494 Angstroms
sigma value = 33