Model name: model_name=EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147414512932301
cohesive_energy=6.897751515014914
mass=95.95
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=[8.00449048523034e-20, 2.0691630575119797e-19, 2.87749321289766e-19, 3.9418351726302e-19, 5.175959790267719e-19, 6.26396589888444e-19, 7.091906696270279e-19, 7.691088713853599e-19, 8.106709354479539e-19, 8.457361732596779e-19, 8.789236600563539e-19, 9.09877712625234e-19, 9.39699026313876e-19, 9.68400418535352e-19, 9.95025389839164e-19, 1.018876993389522e-18, 1.0396524178026e-18, 1.0575967961034e-18, 1.0726476434031959e-18, 1.084723248693654e-18, 1.093871677273794e-18, 1.1002082858612639e-18, 1.103877270353124e-18, 1.105054870179114e-18, 1.1038035702279599e-18, 1.099746858990672e-18, 1.0924649661891419e-18, 1.0816294456134e-18, 1.0665209199547799e-18, 1.046202115882392e-18, 1.019698910002764e-18, 9.86190987879288e-19, 9.44901293844474e-19, 8.950976331765839e-19, 8.361743831079659e-19, 7.68613798805454e-19, 6.941382201505979e-19, 6.079266976516919e-19, 5.0676045845103e-19, 3.8013563253610797e-19, 2.16705604984938e-19, 1.059525816770736e-20, -2.4843350886804e-19, -5.72792566244706e-19, -9.71755376406948e-19, -1.5234809220911878e-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: -0.03216188 eV

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theta = 0.0
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Energy: 0.019851453661451204