Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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=3.628442153334618
cohesive_energy=4.196040208587968
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=[2.6231476722501596e-21, 2.4330974799250796e-20, 8.642829699748619e-20, 1.80751159141344e-19, 2.77227827334288e-19, 3.5886513554312403e-19, 4.2395516347600793e-19, 4.75567681563684e-19, 5.16791686356504e-19, 5.49918290441088e-19, 5.766041444569919e-19, 5.98103752708638e-19, 6.15394442942766e-19, 6.292500664735979e-19, 6.40290665658492e-19, 6.49011313077354e-19, 6.55814155065318e-19, 6.61029240008988e-19, 6.64938550995948e-19, 6.677872210511999e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.6672978447276e-19, 6.630383695080239e-19, 6.580203522903359e-19, 6.51384136672308e-19, 6.42741995908512e-19, 6.315812334760679e-19, 6.172049025391859e-19, 5.9866932106044e-19, 5.747007586158e-19, 5.43605714503128e-19, 5.031539588478959e-19, 4.50440745412662e-19, 3.8167372210474793e-19, 2.9187011959241397e-19, 1.7442095926040998e-19, 2.0511225486131397e-20, -1.81675615059162e-19, -4.48450842033234e-19, -8.04486533640714e-19, -1.292338103457276e-18, -1.98882992108322e-18, -3.02577466037436e-18, -4.6274065543188e-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: 0.0 eV

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

Energy: 0.018174705492992136
Energy: 0.022085433668796835
Energy: -0.5565074867549086
Energy: -0.5482323257444085
Energy: 0.021518789319429167
Energy: 0.01949343239123405
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Energy: -0.5480248918404311
Energy: -0.5522137402655336
Energy: 0.02102571137480912
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Energy: -0.5623511066088976
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Energy: -0.5291839138201163
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Energy: -0.5416223482400117
Energy: -0.39971970872892465
Energy: -0.5319079155555629
Energy: -0.5463167529234515
Energy: -0.364305530868278
Energy: 0.018720602852594706
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Energy: -0.5339547012627214
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Energy: 0.01904579280875023
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Energy: -0.39219197521246457
Energy: 0.019366264631817055
Energy: -0.3619553295962644
Energy: -0.5521901544247385
Energy: -0.5565330924951398
Energy: -0.41072968977455987
Energy: -0.5349475984615508
Energy: -0.5463487156279289
Energy: -0.3507266262317802
Energy: 0.019330442124291827
Energy: -0.41887511290187646
Energy: -0.5477825499688692
Energy: -0.5683216153137508
Energy: -0.3501674290611693
Energy: -0.5351545622789766
Energy: -0.5445352008413139
Energy: 0.6354758820338784
Energy: -0.5476453652697756
Energy: 0.01900337042933912
Energy: -2.1277849813670016
Energy: -0.5473893967970691
Energy: 0.6351006443222775
Energy: -0.5536210576636936
Energy: 0.019199535811967622
Energy: -0.46691557392928323
Energy: -0.4573660963227882
Energy: -0.5402256624883124
Energy: -0.39682325736712143
Energy: -0.5499288913431216
Energy: -0.5599951588829316
Energy: -0.33045898004683727
Energy: -0.5358243183528357
Energy: -0.39610298595104837
Energy: -0.5603187592147656
Energy: -0.555982744570834

minimum gb energy = -2.1277849813670016 eV
minimum distance =  2.39281420624227 Angstroms
sigma value = 3


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

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Energy: -5.09299521064934
Energy: -3.464018029059449
Energy: -5.556443635253658

minimum gb energy = -5.591025949693532 eV
minimum distance =  2.25281677131947 Angstroms
sigma value = 75


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

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minimum distance =  2.236640451219 Angstroms
sigma value = 105


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

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minimum gb energy = -3.7882191510037204 eV
minimum distance =  2.35187353543707 Angstroms
sigma value = 165


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

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Energy: -0.2616308232863241

minimum gb energy = -0.5154193094194256 eV
minimum distance =  2.33420638722759 Angstroms
sigma value = 41


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

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minimum distance =  2.23023090512001 Angstroms
sigma value = 185


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

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minimum gb energy = -4.704794604037996 eV
minimum distance =  2.33344838991535 Angstroms
sigma value = 33


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

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minimum gb energy = -2.6442825225728175 eV
minimum distance =  2.27796949702064 Angstroms
sigma value = 219


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

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Energy: 0.5812039013308271

minimum gb energy = 0.08072105348029252 eV
minimum distance =  2.30980721162253 Angstroms
sigma value = 15


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

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Energy: -1.29615424082969
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Energy: -3.1369662507340563
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Energy: -0.8245570912856361
Energy: -3.133626922594343
Energy: -1.4764534252624695
Energy: -0.6046246808350163
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Energy: -0.47132405133844835
Energy: -3.299073308756885
Energy: -0.13805033470187708
Energy: -0.7759176886775015
Energy: -0.1947221960520241

minimum gb energy = -6.749665025006154 eV
minimum distance =  2.27308664240126 Angstroms
sigma value = 293


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

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Energy: 0.14209454356033008
Energy: 0.3022843115269165
Energy: 0.909956241709579
Energy: 0.9311016230124245
Energy: 0.9606796963153513

minimum gb energy = 0.0015269599950663599 eV
minimum distance =  2.34278683176765 Angstroms
sigma value = 293


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

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Energy: 0.9064474977895579
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Energy: 0.9368954885039813
Energy: 0.9092373238019602
Energy: 0.953697529614371
Energy: 0.9993176779357132
Energy: 0.9936484701558327

minimum gb energy = 0.8853186117337355 eV
minimum distance =  2.32190386525687 Angstroms
sigma value = 15


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

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minimum gb energy = -2.876608399614809 eV
minimum distance =  2.22954144873549 Angstroms
sigma value = 437


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

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Energy: -0.5260418564197137
Energy: -0.7715754527487116
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Energy: -0.32933902456353237
Energy: -0.701248080888547
Energy: -0.5199172759074959
Energy: -0.5988118365145341
Energy: -0.7048402696919055
Energy: -0.24197875465761276
Energy: -0.7745289815753086
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Energy: -0.4490619882581134
Energy: -0.6945583623326986
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Energy: -0.3089981710982881
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Energy: -0.46770308320344084
Energy: -0.36681347085816796
Energy: -0.561759230330558
Energy: -0.47360461225858874

minimum gb energy = -1.034196925061782 eV
minimum distance =  2.28991747950923 Angstroms
sigma value = 33