Model name: model_name=EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 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=60.0 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: 0.016721842376785583 Energy: 0.017449268260064384 Energy: 0.31606470423210736 Energy: 0.9378443480571332 Energy: 0.7663322020741364 Energy: 0.275557142491065 Energy: 0.017343083989317748 Energy: 0.017132186355310285 Energy: 0.6178701703209794 Energy: 0.22692648469663357 Energy: 0.22692648469663357 Energy: 0.22692648469663357 Energy: 0.017968845063329537 Energy: 0.08038343276914964 Energy: 0.017135529181713956 Energy: 0.6148529167358457 Energy: 0.6148529167358457 Energy: 0.3158092385693974 Energy: 0.6202057334280513 Energy: 0.6202057334280513 Energy: 0.08023729418312185 Energy: 0.019082978872265875 Energy: 0.019082978872265875 Energy: 0.3168450779958985 Energy: 0.937109420416304 Energy: 0.6133758477436294 Energy: 0.07928395747800993 Energy: 0.017548598929395927 Energy: 0.017548598929395927 Energy: 0.7673274680662294 Energy: 0.22684001310203789 Energy: 0.22684001310203789 Energy: 0.22684001310203789 Energy: 0.017542085009052327 Energy: 0.08039383713313399 Energy: 0.017078216255016543 Energy: 0.614524306468414 Energy: 0.614524306468414 Energy: 0.31583870860359037 Energy: 0.6183335488145423 Energy: 0.0786855916415736 Energy: 0.0786855916415736 minimum gb energy = 0.016721842376785583 eV minimum distance = 2.53097037045307 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0245577797855705