Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_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=3.628442171216013
cohesive_energy=4.196040163280591
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=[2.62269906279264e-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]
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: 0.0181728011884916
Energy: -0.5502796812711707
Energy: -0.556500429232604
Energy: -0.5482361879698439
Energy: 0.02151688659398912
Energy: 0.019491527784032563
Energy: -0.5678516143706337
Energy: -0.5480271959597585
Energy: -0.5522085431506907
Energy: 0.02102380685861661
Energy: -0.5519855762453539
Energy: -0.5623536433090662
Energy: -0.53434077238813
Energy: -0.5291848513671351
Energy: -0.5299899830806661
Energy: -0.5508673111221232
Energy: -0.5467094276711243
Energy: -0.5416179285870102
Energy: -0.3998506104601657
Energy: -0.5314650742559031
Energy: -0.5463174532167943
Energy: -0.3643062184826324
Energy: 0.01871869126566394
Energy: -0.4127096126279761
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Energy: 0.01857464791061253
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Energy: -0.5339599157811695
Energy: -0.40286346246670546
Energy: 0.019043872275053445
Energy: -0.349073653071297
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Energy: -0.392214234094224
Energy: 0.019364355558392995
Energy: -0.36165947397978215
Energy: -0.5521752630631953
Energy: -0.5566224289013808
Energy: -0.4107332343929132
Energy: -0.5349510562922279
Energy: -0.5463541643353262
Energy: -0.35073129745839104
Energy: 0.019328519627238007
Energy: -0.4186048754256115
Energy: -0.5478077784256191
Energy: -0.5683564766356288
Energy: -0.35016954868763467
Energy: -0.5349689527421863
Energy: -0.5445305874401803
Energy: 0.6354735372318479
Energy: -0.548066970860882
Energy: 0.019001464861757678
Energy: -2.080415645277803
Energy: -0.5473924029926447
Energy: 0.6350983339400336
Energy: -0.5536387381844841
Energy: 0.019197631006853233
Energy: -0.465454270302654
Energy: -0.45737915925693895
Energy: -0.540228624865626
Energy: -0.3968271260901858
Energy: -0.5498998081238099
Energy: -0.5599974513104298
Energy: -0.3304533452157879
Energy: -0.5358280869250838
Energy: -0.3961049153054746
Energy: -0.5631724438588793
Energy: -0.5559613452857323

minimum gb energy = -2.080415645277803 eV
minimum distance =  2.39281430759914 Angstroms
sigma value = 3


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

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Energy: -1.5903632395676721
Energy: -4.520884582572681
Energy: -4.551289619341527
Energy: -4.240466291822678

minimum gb energy = -5.789348363168783 eV
minimum distance =  2.34149286218676 Angstroms
sigma value = 75


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

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minimum distance =  2.31915831109599 Angstroms
sigma value = 105


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

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minimum distance =  2.33300044428284 Angstroms
sigma value = 165


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

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minimum gb energy = -4.200485821966407 eV
minimum distance =  2.27497928040682 Angstroms
sigma value = 41


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

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minimum distance =  2.26623393410677 Angstroms
sigma value = 185


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

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minimum gb energy = -3.8056596859045033 eV
minimum distance =  2.24825080219836 Angstroms
sigma value = 33


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

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minimum gb energy = -3.698614334973511 eV
minimum distance =  2.34100784368201 Angstroms
sigma value = 219


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

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Energy: 0.5812020728324633

minimum gb energy = 0.08071898078742001 eV
minimum distance =  2.30980737176667 Angstroms
sigma value = 15


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

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minimum gb energy = -6.161174625600956 eV
minimum distance =  2.27071040737637 Angstroms
sigma value = 293


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

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minimum gb energy = -2.591244330291263 eV
minimum distance =  2.25277315200738 Angstroms
sigma value = 293


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

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Energy: 0.9072915202253857
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Energy: 0.9064455511858782
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Energy: 0.9092352899871395
Energy: 0.9536936359716339
Energy: 0.9993155940143462
Energy: 0.9936466935287105

minimum gb energy = 0.8853164542293654 eV
minimum distance =  2.32189856201497 Angstroms
sigma value = 15


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

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Energy: -1.2058915659711036

minimum gb energy = -2.8472229735944308 eV
minimum distance =  2.25922658998284 Angstroms
sigma value = 437


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

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minimum gb energy = -1.0327864474830124 eV
minimum distance =  2.29308796564159 Angstroms
sigma value = 33