Model name: model_name=EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.070110480487348 cohesive_energy=3.924526532840888 mass=196.9665 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=[1.1223183234104639e-19, 1.8598066367472e-19, 2.38205213236584e-19, 2.8554953277128396e-19, 3.30605944072632e-19, 3.6980479760007598e-19, 4.032326108918519e-19, 4.3297541792542797e-19, 4.597301655365939e-19, 4.83956678419308e-19, 5.06406377414916e-19, 5.266947401312579e-19, 5.443331026949639e-19, 5.60383708214376e-19, 5.7461263890093e-19, 5.866706202484139e-19, 5.96703450330522e-19, 6.05076425419806e-19, 6.120731307804839e-19, 6.179403016141919e-19, 6.2267793792092995e-19, 6.26045713205598e-19, 6.28059649234536e-19, 6.28729359067548e-19, 6.28027605701856e-19, 6.257877627675239e-19, 6.217294493536019e-19, 6.1530792540453e-19, 6.057317156631119e-19, 5.9221415140205395e-19, 5.739124877118719e-19, 5.502435322977899e-19, 5.20404594666174e-19, 4.832324945807399e-19, 4.36562691408954e-19, 3.7652753075633993e-19, 2.98769092178418e-19, 1.9903680106518596e-19, 7.340147943942239e-20, -8.51608150623288e-20] 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: 0.014623056873252617 Energy: 0.015336340274276968 Energy: 0.015336340274276968 Energy: 0.015336340274276968 Energy: 0.015336340274276968 Energy: 0.015336340274276968 Energy: 0.01520614076356759 Energy: 0.015208023611424376 Energy: 0.015208023611424376 Energy: 0.06549680843848246 Energy: 0.06549680843848246 Energy: 0.06549680843848246 Energy: 0.015578964042304725 Energy: 0.015578964042304725 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.015080382217334282 Energy: 0.016646014036401223 Energy: 0.016646014036401223 Energy: 0.016646014036401223 Energy: 0.016646014036401223 Energy: 0.016646014036401223 Energy: 0.016646014036401223 Energy: 0.015381438214147336 Energy: 0.015381438214147336 Energy: 0.015381438214147336 Energy: 0.06527937315721931 Energy: 0.06527937315721931 Energy: 0.06527937315721931 Energy: 0.015498258573779315 Energy: 0.015498258573779315 Energy: 0.01507052180885483 Energy: 0.01507052180885483 Energy: 0.01507052180885483 Energy: 0.01507052180885483 Energy: 0.01507052180885483 Energy: 0.01507052180885483 Energy: 0.01507052180885483 minimum gb energy = 0.014623056873252617 eV minimum distance = 2.87162474666851 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ========================================