Model name: model_name=EAM_Dynamo_NormanStarikovStegailov_2012_Au__MO_592431957881_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Au Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.068500626087188 cohesive_energy=4.299700974521185 mass=196.9665 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=[9.58971609044262e-20, 9.76613175961236e-20, 1.4088371730453179e-19, 1.8959357198438997e-19, 2.4160663423056595e-19, 3.0183405607925996e-19, 3.6785975516639994e-19, 4.3243228004650197e-19, 4.87060094559366e-19, 5.2923899662605e-19, 5.60298792852774e-19, 5.832291448385819e-19, 6.0181759814625e-19, 6.17937097260924e-19, 6.319817776345679e-19, 6.44196772292184e-19, 6.547855576662899e-19, 6.638634904745339e-19, 6.71478636015936e-19, 6.7769668353249e-19, 6.8254326785034e-19, 6.860263998526559e-19, 6.88130057773098e-19, 6.88833413315424e-19, 6.880419380582279e-19, 6.854175727317359e-19, 6.8052292311486595e-19, 6.728324752716659e-19, 6.6195209375017185e-19, 6.47304994962144e-19, 6.2819743642506e-19, 6.039324713031299e-19, 5.738003353474919e-19, 5.366602787947379e-19, 4.90943770720182e-19, 4.34787479698482e-19, 3.6551416857422396e-19, 2.7989064489999596e-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: 0.013092803170599394 Energy: 0.013999598682043042 Energy: 0.013824796334258113 Energy: 0.013332838946913988 Energy: 0.013332838946913988 Energy: 0.013547071657455183 Energy: 0.013999598683253487 Energy: 0.013999598683253487 Energy: 0.013999598683253487 Energy: 0.013999598683253487 Energy: 0.013999598683253487 Energy: 0.013999598683253487 Energy: 0.013824796334258113 Energy: 0.013824796334258113 Energy: 0.013824796334258113 Energy: 0.013733342996233177 Energy: 0.013733342996233177 Energy: 0.013733342996233177 Energy: 0.013332838950297734 Energy: 0.013332838950297734 Energy: 0.013733342995022728 Energy: 0.01335194846440975 Energy: 0.01335194846440975 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013565262404518249 Energy: 0.013547071656739918 Energy: 0.013547071656739918 Energy: 0.013547071656739918 Energy: 0.013565262403060213 Energy: 0.013565262403060213 Energy: 0.013821152325390247 minimum gb energy = 0.013092803170599394 eV minimum distance = 2.86936263350362 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 4.495333433566573 Energy: 8.276674093673329 Energy: 4.3515634324985255 Energy: 4.351665102584998 Energy: 4.351665102584998 Energy: 4.352926161916265 Energy: 8.428008401934408 Energy: 8.428008401934408 Energy: 8.428008401934408 Energy: 8.428008401934408 Energy: 8.428008401934408 Energy: 8.428008401934408 Energy: 4.531667456509817 Energy: 4.531667456509817 Energy: 4.531667456509817 Energy: 4.321955000847355