Model name: model_name=EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613580609858036 cohesive_energy=3.5410050524536607 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4505546482414097e-19, 2.22258749198382e-19, 2.80089314802612e-19, 3.2509766080494e-19, 3.6120271125212995e-19, 3.9095993787541193e-19, 4.1588499977054995e-19, 4.36895944148826e-19, 4.54917226928058e-19, 4.708540779064559e-19, 4.852704632591879e-19, 4.98392289891648e-19, 5.102788383392939e-19, 5.20950936898368e-19, 5.30429413865112e-19, 5.3873990406566995e-19, 5.459128488560879e-19, 5.519706787092419e-19, 5.5694063062791e-19, 5.60864361204576e-19, 5.6378993573826e-19, 5.65786247824224e-19, 5.669253954109979e-19, 5.67287487330282e-19, 5.66907771468024e-19, 5.65693321579452e-19, 5.635031461207739e-19, 5.601626078388839e-19, 5.55453810711558e-19, 5.49096373827846e-19, 5.40736216151634e-19, 5.299119108123299e-19, 5.16035458985256e-19, 4.98376268125308e-19, 4.760675606734919e-19, 4.480807392307799e-19, 4.13158095139482e-19, 3.69625353817068e-19, 3.1512731561155795e-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: 4.99999999981074e-06 eV ======================================== theta = 0.0 ======================================== Energy: 0.01366685913846708 Energy: 0.014298760590360131 Energy: 0.01414115137720534 Energy: 0.013869157165693745 Energy: 0.013869157165693745 Energy: 0.014023751973306785 Energy: 0.014298760590987841 Energy: 0.014298760590987841 Energy: 0.014298760590987841 Energy: 0.014298760590987841 Energy: 0.014298760590987841 Energy: 0.014298760590987841 Energy: 0.014141151377519194 Energy: 0.014141151377519194 Energy: 0.014141151377519194 Energy: 0.014169150426364017 Energy: 0.014169150426364017 Energy: 0.014169150426364017 Energy: 0.013869157165693745 Energy: 0.013869157165693745 Energy: 0.014169150426364017 Energy: 0.01395175978668096 Energy: 0.01395175978668096 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01404574068095874 Energy: 0.01402375197299293 Energy: 0.01402375197299293 Energy: 0.01402375197299293 Energy: 0.014045740680365904 Energy: 0.014045740680365904 Energy: 0.01411159150942249 minimum gb energy = 0.01366685913846708 eV minimum distance = 2.55133412922905 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.1997093236358385 Energy: 0.7824055440601777 Energy: 0.8033839389597196 Energy: 0.7310158106626481