Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Pt Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.976400005817414 cohesive_energy=5.506101842704092 mass=195.084 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6596787533942597e-19, 2.61255728469942e-19, 3.4076214175555797e-19, 4.09378560459876e-19, 4.6962200407491e-19, 5.23041777405738e-19, 5.70690510500898e-19, 6.13335645968076e-19, 6.51555569572146e-19, 6.85810106007066e-19, 7.1646775589865595e-19, 7.438345349840099e-19, 7.68166791524568e-19, 7.89682421542554e-19, 8.0857048188078e-19, 8.2499279237928e-19, 8.390951511117479e-19, 8.51005732208904e-19, 8.60838290211762e-19, 8.68695364424898e-19, 8.74669881093084e-19, 8.78846755577922e-19, 8.8130129018121e-19, 8.82105582851478e-19, 8.81235600939216e-19, 8.78406157003572e-19, 8.73247148242092e-19, 8.653115673738899e-19, 8.540610830499419e-19, 8.38848415910112e-19, 8.1888849940374e-19, 7.932184253737919e-19, 7.6066540052418e-19, 7.1977464847123185e-19, 6.687405161484299e-19, 6.053023323252e-19, 5.26608222593022e-19, 4.29021245992716e-19, 3.0787265981280595e-19, 1.5708556829819339e-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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.017550188073557783