Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_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=3.658403038978577
cohesive_energy=3.8927084030558796
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: 0.016602370334556422
Energy: 0.10908677094993954
Energy: 0.10908677094993954
Energy: 0.016602370334556422
Energy: 0.10908677094993954
Energy: 0.10908677094993954
Energy: 0.016602370334556422
Energy: 0.10908677094993954
Energy: 0.10908677094993954
Energy: 0.016602370335967835
Energy: 0.10919338894818542
Energy: 0.017773672749593857
Energy: 0.10771961463404313
Energy: 0.10919338894818542
Energy: 0.017773672749593857
Energy: 0.10771961463404313
Energy: 0.10919338894818542
Energy: 0.017773672749593857
Energy: 0.10771961463404313
Energy: 0.10919338894818542
Energy: 0.5135329681297901
Energy: -2.3199566323177336
Energy: -3.176806963245429
Energy: 0.5135172398917817
Energy: -2.2939945678555635
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Energy: 0.10919338894959683
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Energy: 0.017773672749593857
Energy: 0.10919338894959683
Energy: 0.10771961463263173
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Energy: 0.10919338894818542
Energy: 0.10771961463263173
Energy: 0.017773672749593857
Energy: 0.10919338894959683
Energy: 0.016602370334556422
Energy: 0.1090867709513189
Energy: 0.1090867709513189
Energy: 0.016602370334556422
Energy: 0.10908677094993954
Energy: 0.1090867709513189
Energy: 0.016602370334556422
Energy: 0.1090867709527303
Energy: 0.1090867709513189
Energy: 0.016602370334556422
Energy: 0.10919338894818542
Energy: 0.017773672749593857
Energy: 0.10771961463263173
Energy: 0.10919338894959683
Energy: 0.017773672749593857
Energy: 0.10771961463263173
Energy: 0.10919338894818542
Energy: 0.01777367275100527
Energy: 0.10771961463263173
Energy: 0.10919338894959683
Energy: -0.595826251804638
Energy: -0.030411638171748412
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Energy: -0.6706837972467213
Energy: -0.6240226187366393
Energy: -2.3199566323177336
Energy: -2.8636564672972464
Energy: -0.5941079371249299

minimum gb energy = -3.176806963245429 eV
minimum distance =  2.35595098075794 Angstroms
sigma value = 3


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

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Energy: -2.338004355019065

minimum gb energy = -5.423523020940082 eV
minimum distance =  2.36521078019097 Angstroms
sigma value = 75


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

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minimum distance =  2.27043962489964 Angstroms
sigma value = 105


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

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minimum gb energy = -2.66039190981011 eV
minimum distance =  2.31554269631764 Angstroms
sigma value = 165


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

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minimum gb energy = -4.553883583111679 eV
minimum distance =  2.28641505679459 Angstroms
sigma value = 41


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

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minimum gb energy = -4.558739314058756 eV
minimum distance =  2.33288050177584 Angstroms
sigma value = 185


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

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Energy: -1.6241985700920312

minimum gb energy = -4.46050587723239 eV
minimum distance =  2.2413991674915 Angstroms
sigma value = 33


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

Energy: -1.0872634093041638
Energy: -1.2398485591323687
Energy: -1.387498945261445
Energy: -0.7600143604014266
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minimum distance =  2.22885648153852 Angstroms
sigma value = 219


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

Energy: -0.48523457447193613
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Energy: 0.5152957275690746
Energy: -0.4143631323582001
Energy: 0.5185291472340975
Energy: 0.5152957275679814

minimum gb energy = -1.34701051487359 eV
minimum distance =  2.30843837023459 Angstroms
sigma value = 15


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

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minimum gb energy = -5.418282817085793 eV
minimum distance =  2.23021137166067 Angstroms
sigma value = 293


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

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minimum distance =  2.2039731611696 Angstroms
sigma value = 293


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

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Energy: 0.7793643418718367
Energy: 0.7792390257149524
Energy: 0.9044547902237758
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Energy: 0.9044582824194598
Energy: 0.9035076011021831
Energy: 0.9041202454695573
Energy: 0.9044444075765817

minimum gb energy = 0.706343110846257 eV
minimum distance =  2.33426598263368 Angstroms
sigma value = 15


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

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minimum gb energy = -2.8315450289898036 eV
minimum distance =  2.2402183835237 Angstroms
sigma value = 437


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

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Energy: 0.5798431235164545
Energy: -1.2940681348379708
Energy: -1.3128694215098007
Energy: 0.5798434181911094
Energy: -1.4123794192396586
Energy: -1.3176316459426491
Energy: 0.5798436883206134
Energy: -1.4123981272654715
Energy: -1.2127239880895637
Energy: 0.5798436761500576
Energy: -1.0526059324480115
Energy: -0.575842550994216
Energy: -0.5270690987985147
Energy: -1.0526018184798982
Energy: -0.4136271526636357
Energy: -0.5385346824933923
Energy: -1.052565212275293
Energy: -0.731511214452223
Energy: -0.6596286624759156
Energy: -1.0525485348560528
Energy: -0.6651828248642736
Energy: -1.1778742353199456
Energy: -0.6621149964761298
Energy: -0.6350313694538169
Energy: -1.1778742353192084
Energy: -1.7106672546398138
Energy: -0.5869765432810377
Energy: -1.1778742353133118
Energy: -1.7106550507130123
Energy: -0.5275563551512148
Energy: -0.8109334290338659
Energy: -1.5311064513449233
Energy: -1.217406771013699
Energy: -0.7932754776215114
Energy: -1.5309717696598095
Energy: -1.217401962025656
Energy: -0.7758231734334311
Energy: -1.5312074094924006
Energy: -1.2174037332137466
Energy: -0.7916611727616972
Energy: -1.3702219851437798
Energy: 0.5098783627461141
Energy: -1.3124390909081638
Energy: -1.3711177992528305
Energy: 0.5098855185685636
Energy: -1.3148346053254727
Energy: -1.3684450061939868
Energy: 0.509878838867177
Energy: -1.2714774555450385
Energy: -1.3688309436235442
Energy: -0.9744002113328493
Energy: -1.2084659941702047
Energy: -1.3385915571386704
Energy: -1.0189567595944702
Energy: -1.208465719774873
Energy: -1.3385688037393555
Energy: -0.9751669861232041
Energy: -1.2084663713038204
Energy: -1.3385927795110373
Energy: -1.0197892416594754

minimum gb energy = -2.0435819270801514 eV
minimum distance =  2.25324295007379 Angstroms
sigma value = 33