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=fcc Lattice constant (meters) and cohesive energy (J): a=3.498696523904801 cohesive_energy=4.116955213616656 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=[2.49596689104324e-19, 3.75287446041624e-19, 4.40725146304086e-19, 4.910206751986139e-19, 5.25843984338604e-19, 5.48620527367548e-19, 5.63839603213914e-19, 5.746206497840999e-19, 5.828382137398859e-19, 5.89687518850236e-19, 5.959696534321499e-19, 6.023799621447839e-19, 6.09703511538798e-19, 6.1834405012596e-19, 6.27513307002342e-19, 6.35953573510254e-19, 6.429230418681539e-19, 6.4829674229859e-19, 6.52292570823786e-19, 6.5518289747152205e-19, 6.5720164003036205e-19, 6.58529844459948e-19, 6.59298889244268e-19, 6.595568396823419e-19, 6.59262039181686e-19, 6.5826228096207e-19, 6.563316581180999e-19, 6.53154541852878e-19, 6.481509442248959e-19, 6.40043930456856e-19, 6.270054170093639e-19, 6.065744605725959e-19, 5.75372070625446e-19, 5.28944196125394e-19, 4.62072547775502e-19, 3.66851986063614e-19, 2.2580917261932595e-19, 4.40707522361112e-21, -3.4876661621902194e-19, -9.05487748648074e-19, -1.7783359549083002e-18, -3.1610143900503002e-18, -5.399207082449279e-18, -9.14637779404848e-18, -1.57775145121467e-17, -2.81471993237754e-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: 0.019179255260831096