Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_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=3.6583648324012783
cohesive_energy=4.002359338938538
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.017065279042505706
Energy: 0.06779528391058343
Energy: 0.06779528391199488
Energy: 0.017065279042505706
Energy: 0.06779528391199488
Energy: 0.06779528391058343
Energy: 0.017065279042505706
Energy: 0.06779528391058343
Energy: 0.06779528391199488
Energy: 0.017065279042505706
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: -0.9393246494354618
Energy: -0.712930512529597
Energy: -2.7407664705682975
Energy: -1.823334296071785
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Energy: -2.8368628235522655
Energy: 0.06519827838421523
Energy: 0.06216824835535149
Energy: 0.022039479742696703
Energy: 0.06519827838421523
Energy: 0.06216824835535149
Energy: 0.022039479744108147
Energy: 0.06519827838421523
Energy: 0.06216824835535149
Energy: 0.022039479744108147
Energy: 0.06519827838421523
Energy: 0.017065279042505706
Energy: 0.06779528390917197
Energy: 0.06779528391058343
Energy: 0.017065279042505706
Energy: 0.06779528391058343
Energy: 0.06779528391058343
Energy: 0.017065279041094263
Energy: 0.06779528390917197
Energy: 0.06779528391058343
Energy: 0.017065279042505706
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: 0.022039479744108147
Energy: 0.06216824835535149
Energy: 0.06519827838421523
Energy: -0.6885200900576892
Energy: -0.11017165804620588
Energy: -0.6857781149483975
Energy: -2.829784772097362
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Energy: -0.6857781149469859
Energy: -2.8361496930505563
Energy: -0.11017165804479442
Energy: -2.7407667255807286
Energy: -0.7222318704460619

minimum gb energy = -2.8368628235522655 eV
minimum distance =  2.35076847264677 Angstroms
sigma value = 3


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

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Energy: -2.181894634549612

minimum gb energy = -4.7532062884692925 eV
minimum distance =  2.32296969949762 Angstroms
sigma value = 75


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

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minimum distance =  2.27378971932526 Angstroms
sigma value = 105


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

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minimum gb energy = -2.484461622076368 eV
minimum distance =  2.28462136756131 Angstroms
sigma value = 165


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

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Energy: -1.266779882103908

minimum gb energy = -3.9392391419332213 eV
minimum distance =  2.28291578251096 Angstroms
sigma value = 41


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

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minimum distance =  2.34076223005275 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
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minimum gb energy = -5.395284321321476 eV
minimum distance =  2.28021545146216 Angstroms
sigma value = 33


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

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minimum gb energy = -1.8468753981186372 eV
minimum distance =  2.22522616695925 Angstroms
sigma value = 219


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

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minimum gb energy = -1.2870918033524215 eV
minimum distance =  2.30141543211805 Angstroms
sigma value = 15


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

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Energy: -1.7455048283708197
Energy: -2.1025838989145287
Energy: -2.1198964298758978
Energy: -1.7455048280846446
Energy: -2.1204310332999112

minimum gb energy = -5.33225723681993 eV
minimum distance =  2.21623443503096 Angstroms
sigma value = 293


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

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Energy: -0.8319253545681693

minimum gb energy = -1.5888904565614517 eV
minimum distance =  2.16633865989209 Angstroms
sigma value = 293


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

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Energy: 0.6981897963507792
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Energy: 0.6978900168189827
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Energy: 0.6979180943324185
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Energy: 0.6979185866339298
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Energy: 0.8399277985242533
Energy: 0.8417623443925106
Energy: 0.8425106956653101
Energy: 0.8399277985229142

minimum gb energy = 0.6369965547629348 eV
minimum distance =  2.32922466231592 Angstroms
sigma value = 15


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

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minimum gb energy = -2.5171822362445884 eV
minimum distance =  2.23638126433059 Angstroms
sigma value = 437


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

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Energy: -0.7414094663870112
Energy: -1.897922364563859
Energy: -0.7772762306806891
Energy: -0.7414094663833257
Energy: -1.7441773251272805
Energy: -1.10224526463175
Energy: 0.5278408037428045
Energy: -1.7441773251235948
Energy: -1.8380940027385393
Energy: 0.5278408037236398
Energy: -1.7441773246992247
Energy: -1.8166273078332666
Energy: 0.5278408038363496
Energy: -1.7441773248915415
Energy: 0.5736788250878349
Energy: -1.6673196061390512
Energy: -1.1975228006134209
Energy: 0.5736788254569225
Energy: -1.6673196058245092
Energy: -1.1995815787767168
Energy: 0.5736788255033599
Energy: -1.6673196058775135
Energy: -1.196843480465939
Energy: 0.5736788249294248
Energy: -0.7521660202162193
Energy: -1.1589706712457075
Energy: -0.835715067186913
Energy: -0.752166040101851
Energy: -1.1405439820595409
Energy: -0.8863907352771005
Energy: -0.7521660438372878
Energy: -1.1677795841511482
Energy: -1.0059827705511601
Energy: -0.752166034856693
Energy: -1.1207558342828765
Energy: -1.3113444698817847
Energy: -1.2871367001668577
Energy: -0.8993608988533791
Energy: -1.3113444698825216
Energy: -1.2870117866624429
Energy: -0.7624322529518556
Energy: -1.3113444698832588
Energy: -1.2870715587242945
Energy: -0.8187282465725699
Energy: -0.6984202335145959
Energy: -1.607359844834034
Energy: -1.5068902111913736
Energy: -0.6984194528108225
Energy: -1.6073598448355084
Energy: -1.506890204138236
Energy: -0.6984193417919884
Energy: -1.607359844833297
Energy: -1.5068902110617106
Energy: -0.698419384680393
Energy: -1.4402661957315752
Energy: -0.769987001115363
Energy: -1.411580350580474
Energy: -1.794485413166806
Energy: -0.7703606498559121
Energy: -1.4101289614308974
Energy: -1.7588309205774448
Energy: -0.7701057641175565
Energy: -1.4128188333947322
Energy: -1.6962468207147856
Energy: -1.7092694481222916
Energy: -1.4414810792147983
Energy: -0.9607171878797954
Energy: -1.7094958790378754
Energy: -1.4414810791514074
Energy: -0.7712467386516966
Energy: -1.4560647484961011
Energy: -1.4414810791727835
Energy: -0.9515064543557905
Energy: -1.7037211761430564

minimum gb energy = -1.9578347209006575 eV
minimum distance =  2.3107795215604 Angstroms
sigma value = 33