element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Cu__MO_759493141826_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:53:51 -14.159978 0.0030 BFGS: 1 16:53:51 -14.159978 0.0027 BFGS: 2 16:53:51 -14.159930 0.0002 BFGS: 3 16:53:51 -14.159930 0.0000 BFGS: 4 16:53:51 -14.159930 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2051805793221235e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6149788819529265, -1.6516016978793676e-33, 3.5872028498079484e-35], [1.1720476934573842e-33, 3.6149788819529265, -2.8242195877748626e-22], [2.657313581666958e-34, -2.8242195877778803e-22, 3.6149788819529265]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [2.20518058e-11 2.20518058e-11 2.20518058e-11 2.29873927e-27 5.10906045e-34 9.46176322e-51] energy per atom = -3.5399825885844973 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0