Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
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=60.0
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

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theta = 0.0
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Energy: 0.015039041571491612
Energy: -2.9627619653307034