Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.614999935030937 cohesive_energy=3.5402784116098815 mass=63.546 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=[1.4407749620674739e-19, 2.1537259402544999e-19, 2.6952616425464997e-19, 3.13411384436544e-19, 3.50152499007432e-19, 3.8151030008808e-19, 4.0859990261575193e-19, 4.3218714702149993e-19, 4.5282318206742e-19, 4.70926175854986e-19, 4.86816563710998e-19, 5.007555004267979e-19, 5.1294486025827e-19, 5.2356729134169e-19, 5.32760580867582e-19, 5.40652902966666e-19, 5.47348399120152e-19, 5.52938393396178e-19, 5.57502994626444e-19, 5.6111430075948e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.668132430466179e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.655571365655619e-19, 5.63330111044302e-19, 5.599350987568559e-19, 5.55168623270706e-19, 5.48783949384216e-19, 5.40491083126632e-19, 5.299359434618399e-19, 5.1669395358183e-19, 5.002460082571859e-19, 4.79959247717478e-19, 4.55045401058778e-19, 4.2453354924088197e-19, 3.8719802713878e-19, 3.4149593865393e-19, 2.8544378911344e-19, 2.1649091331598197e-19, 1.3128139208397957e-19, 2.53690250404194e-20, -1.0722503035979639e-19, -2.74335898509918e-19, -4.87744223982084e-19, -7.63919421267834e-19, -1.122786158987592e-18, -1.6020196206898679e-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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.013653327124182324 Energy: 0.014424727762757909 Energy: 0.6498616178781601 Energy: 0.6498616178781601 Energy: 0.014424727762130692 Energy: 0.7639659441799652 Energy: 0.7639659441799652 Energy: 0.7639659441848786 Energy: 0.6498616178781601 Energy: 0.6498616178781601 Energy: 0.013653327124182324 Energy: 0.014424727763350279 Energy: 0.014424727763350279 Energy: 0.7639659441836241 Energy: 0.014424727763350279 Energy: 0.7639659441787457 minimum gb energy = 0.013653327124182324 eV minimum distance = 2.49405690573659 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.2147060138837025