Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.049763545393944 cohesive_energy=3.3185781967567785 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: 0.011557989435765276 Energy: 0.15692155150829878 Energy: 0.15692155150829878 Energy: 0.011557989435765276 Energy: 0.15692155150829878 Energy: 0.15692155150945059 Energy: 0.01155798943691708 Energy: 0.15692155150829878 Energy: 0.15692155150829878 Energy: 0.011557989435765276 Energy: 0.15543442134254234 Energy: 0.01310582713985636 Energy: 0.1559753705897351 Energy: 0.15543442134254234 Energy: 0.013105827136400948 Energy: 0.1559753705897351 Energy: 0.15543442134254234 Energy: 0.01310582713985636 Energy: 0.1559753705897351 Energy: 0.15543442134254234 Energy: 0.26669513494682046 Energy: 0.011966249243913747 Energy: 0.21571890076858416 Energy: 0.5217847699505103 Energy: 0.09476622965957904 Energy: 0.17838363179383324 Energy: 0.3046654310375836 Energy: 0.21571890076628053 Energy: 0.09476622965957904 Energy: 0.3046654310375836 Energy: 0.15543442134139052 Energy: 0.1559753705920387 Energy: 0.013105827137552753 Energy: 0.15543442134139052 Energy: 0.1559753705920387 Energy: 0.013105827137552753 Energy: 0.15543442134139052 Energy: 0.1559753705920387 Energy: 0.013105827137552753 Energy: 0.15543442134139052 Energy: 0.011557989435765276 Energy: 0.15692155150829878 Energy: 0.15692155150829878 Energy: 0.011557989435765276 Energy: 0.15692155150945059 Energy: 0.15692155150945059 Energy: 0.011557989435765276 Energy: 0.15692155150829878 Energy: 0.15692155150829878 Energy: 0.011557989435765276 Energy: 0.15543442134139052 Energy: 0.013105827138704555 Energy: 0.1559753705920387 Energy: 0.15543442134139052 Energy: 0.013105827136400948 Energy: 0.1559753705920387 Energy: 0.15543442134139052 Energy: 0.013105827137552753 Energy: 0.1559753705920387 Energy: 0.15543442134139052 Energy: 0.3046654310387354 Energy: 0.011966249243913747 Energy: 0.09401335811034944 Energy: 0.30466543103528 Energy: 0.011966249245065551 Energy: 0.09401335810919764 Energy: 0.3046654310375836 Energy: 0.011966249243913747 Energy: 0.26922269562053397 Energy: 0.30466543103643173 minimum gb energy = 0.011557989435765276 eV minimum distance = 2.63644136180084 Angstroms sigma value = 3 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Energy: 0.4706803263071865 Energy: 0.5107504606054036 Energy: 0.47963156626976966 Energy: 0.4787067225576117 Energy: 0.5107504606070546 Energy: 0.47157587323845873 Energy: 0.4708228404899271 Energy: 0.5107504606037526 Energy: 0.47963156627307185 Energy: 0.4787067225592627 Energy: 0.5107504606004504 Energy: 0.4583495444286427 Energy: 0.4575491951273696 Energy: 0.49383612687525524 Energy: 0.4583495444319448 Energy: 0.4575491951273696 Energy: 0.4938361268736041 Energy: 0.4583495444253406 Energy: 0.4575491951207653 Energy: 0.4938361268785573 Energy: 0.4583495444253406 Energy: 0.4865198218346626 Energy: 0.5166910905949476 Energy: 0.4871091397773605 Energy: 0.48651982183301146 Energy: 0.5166910905949476 Energy: 0.4871091397839647 Energy: 0.4865198218313604 Energy: 0.5166910905932963 Energy: 0.48710913978231357 Energy: 0.4865198218363136 Energy: 0.47210465646057564 Energy: 0.46187852410570474 Energy: 0.479258401504651 Energy: 0.4721046564622267 Energy: 0.46187929158187396 Energy: 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Energy: 0.4633718073795064 Energy: 0.4693677729955986 Energy: 0.5183583187979767 Energy: 0.46337180738115746 Energy: 0.4693677730005518 Energy: 0.5183583187930234 Energy: 0.4633718073828085 Energy: 0.46936777299229654 minimum gb energy = 0.4548160345140892 eV minimum distance = 2.55652587804005 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.44206286408765516 Energy: 0.44804601302919334 Energy: 0.448034859515797 Energy: 0.4420628640888582 Energy: 0.44804601302919334 Energy: 0.4480348595188045 Energy: 0.44206286408765516 Energy: 0.44804601302919334 Energy: 0.448034859515797 Energy: 0.4420628640888582 Energy: 0.4520727752097318 Energy: 0.4332161802289614 Energy: 0.43756682136587205 Energy: 0.45207277520491984 Energy: 0.4332161802289614 Energy: 0.43756682136647357 Energy: 0.45207277520131073 Energy: 0.4332161802289614 Energy: 0.43756682136587205 Energy: 0.4520727752055213 Energy: 0.48670870724890003 Energy: 0.4309599225266193 Energy: 0.5265587920925603 Energy: 0.4867087072507046 Energy: 0.43095992252722076 Energy: 0.5265587920955679 Energy: 0.48670870724890003 Energy: 0.4309599225266193 Energy: 0.5265587920937634 Energy: 0.4867087072507046 Energy: 0.4848408307849726 Energy: 0.48599457333691437 Energy: 0.4525347690500082 Energy: 0.48484083078437107 Energy: 0.4859945733351098 Energy: 0.4525347690494067 Energy: 0.4848408307849726 Energy: 0.48599457333691437 Energy: 0.4525347690494067 Energy: 0.48484083078437107 Energy: 0.4542431910649047 Energy: 0.4358236235906399 Energy: 0.49851496060123074 Energy: 0.4542431910649047 Energy: 0.4358236235894369 Energy: 0.4985149606006293 Energy: 0.4542431910649047 Energy: 0.4358236235906399 Energy: 0.49851496060123074 Energy: 0.4542431910649047 Energy: 0.4522875016070504 Energy: 0.49890313551033383 Energy: 0.43336373404023465 Energy: 0.45228750160584735 Energy: 0.49890313551150955 Energy: 0.4333637340444452 Energy: 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Energy: 0.436200908440573 Energy: 0.4404408287843299 Energy: 0.4318338705740331 Energy: 0.4351080122567095 Energy: 0.4404408287813223 Energy: 0.4318338705740331 Energy: 0.435108012254905 Energy: 0.4404408287849314 Energy: 0.43183387057283 Energy: 0.4351080122567095 Energy: 0.4404408287819238 minimum gb energy = 0.4305360013340201 eV minimum distance = 2.56363301485791 Angstroms sigma value = 33