Model name: model_name=EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.987558534741402 cohesive_energy=1.5777628711097502 mass=26.981538 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=[2.6494714343467795e-20, 4.80811605686766e-20, 6.82176369401154e-20, 8.69988320968536e-20, 1.0446640263137521e-19, 1.206972530221122e-19, 1.365424594970454e-19, 1.5116712781219738e-19, 1.64604423023892e-19, 1.76947591812228e-19, 1.88228517492222e-19, 1.98471232713384e-19, 2.07707781008394e-19, 2.1596700155666398e-19, 2.23276131360972e-19, 2.29667213953998e-19, 2.3529245611597196e-19, 2.40119814314214e-19, 2.4413166460574997e-19, 2.4733762005038397e-19, 2.49760111120992e-19, 2.51450407469862e-19, 2.5244215480630797e-19, 2.5276579448637596e-19, 2.52418122156798e-19, 2.51296598512998e-19, 2.4926984507098797e-19, 2.46193665933708e-19, 2.41907843437758e-19, 2.36234535976764e-19, 2.2924423932262197e-19, 2.20640550798042e-19, 2.1020397220416598e-19, 1.9775025322808398e-19, 1.83341878758522e-19, 1.67230390527018e-19, 1.500236543485116e-19, 1.329843456282582e-19, 1.1861153947997098e-19, 1.112772555025092e-19, 1.186578423846936e-19] 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: -1.81000000000002 eV ======================================== theta = 0.0 ======================================== Energy: 0.006124785551073474