Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.866965785622597
cohesive_energy=4.00485122546085
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=[1.9516594231744198e-19, 3.07725259562478e-19, 3.7033832241919797e-19, 4.39767044676954e-19, 4.83987119775354e-19, 5.12097308818884e-19, 5.326003632041819e-19, 5.494504548639599e-19, 5.64248158255584e-19, 5.773779957712139e-19, 5.89134767911506e-19, 5.9971073587254e-19, 6.0895529505072e-19, 6.16770712671372e-19, 6.23171408324202e-19, 6.282743409034919e-19, 6.322653628987859e-19, 6.35322315916458e-19, 6.37605417619908e-19, 6.39249250846392e-19, 6.40375581020094e-19, 6.41088549622224e-19, 6.41474674191018e-19, 6.415980417918361e-19, 6.4146345895458e-19, 6.410260647334979e-19, 6.40223374239864e-19, 6.39090635359626e-19, 6.3792104641680595e-19, 6.371952604016039e-19, 6.372401213473559e-19, 6.373362519453959e-19, 6.347343170917799e-19, 6.2495302874121e-19, 6.028045389527939e-19, 5.626395729150479e-19, 4.97197066122684e-19, 3.95495699926266e-19, 2.3990992917516e-19, 1.159192418641974e-21, -3.7023898746788997e-19, -9.63283066366356e-19, -1.96316305140654e-18, -3.77133153523992e-18, -7.14021232178538e-18, -1.355795513400114e-17, -2.6115318916536596e-17]
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: 0.013892471521244244
Energy: -2.9925326630701674
Energy: -1.3792149313430029
Energy: -1.3792149313430029
Energy: -1.3792149313430029
Energy: -1.719151772490495
Energy: -1.719151772490495
Energy: -1.719151772490495
Energy: -1.673502835778788
Energy: -3.108879233797177
Energy: -2.5963292648816303
Energy: -2.5963292648816303
Energy: -2.5963292648816303
Energy: -0.8636626862847083
Energy: -2.804384565391828
Energy: -1.4413018395428199
Energy: -1.4413018395428199
Energy: -1.4413018395428199
Energy: -1.7881289881007698
Energy: -1.7881289881007698
Energy: -1.7881289881007698
Energy: -1.4230493125494634
Energy: -1.5266765471433508
Energy: -2.9448492834237134
Energy: -2.9448492834237134
Energy: -2.9448492834237134
Energy: -0.033823718824353574
Energy: -2.724185597811125
Energy: -1.3509999937749095
Energy: -1.3427258651175709
Energy: -0.7013443051085497
Energy: -0.7013443051085497
Energy: -1.697537992748645
Energy: -1.2486675822693425
Energy: -1.426526600890904
Energy: -1.6435538999305155
Energy: -2.7031338233015223
Energy: -2.493784721999597
Energy: -2.493784721999597
Energy: -2.630808002758996
Energy: -0.0249750724899115
Energy: -0.0249750724899115
Energy: -0.0249750724899115
Energy: -0.5007085902498128
Energy: 0.28076649777135587
Energy: -2.2639923479704755
Energy: -1.3259585012823356
Energy: -1.3300242206297883
Energy: -1.5743942081920368
Energy: 0.2812144345246605
Energy: 0.2812144345246605
Energy: -1.39957021761333
Energy: -1.39957021761333
Energy: -1.6330336132380976
Energy: -2.788838083968884
Energy: -1.5171427466796519
Energy: -2.6614750323114826
Energy: -0.6933546280496442
Energy: -1.5668669501401509
Energy: -1.4051003333321057
Energy: -2.6601028928873616
Energy: -2.6601028928873616
Energy: -1.695969003842361
Energy: -1.695969003842361
Energy: -1.3447109596597122
Energy: -1.4291220568027336
Energy: -1.603722049885653
Energy: -2.809729707217371
Energy: -2.809729707217371
Energy: -2.809729707217371

minimum gb energy = -3.108879233797177 eV
minimum distance =  2.34816118579434 Angstroms
sigma value = 3


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

Energy: -2.31806109604964