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_WuTrinkle_2009_CuAg__MO_270337113239_005 ==== 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 15:09:04 -13.140333 0.683042 BFGS: 1 15:09:04 -13.159664 0.638361 BFGS: 2 15:09:04 -13.237285 0.394817 BFGS: 3 15:09:04 -13.277366 0.137424 BFGS: 4 15:09:04 -13.282659 0.004999 BFGS: 5 15:09:04 -13.282666 0.000078 BFGS: 6 15:09:04 -13.282666 0.000001 BFGS: 7 15:09:04 -13.282666 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.056473339014722e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.20602471e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.492127601717881, -4.41204455391953e-33, 1.3870119505880563e-33], [1.2983830110437798e-32, 3.492127601717881, 1.3847679630034997e-17], [3.255175314739421e-33, 1.3847679630035002e-17, 3.492127601717881]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.05647334e-11 -5.05647334e-11 -5.05647334e-11 -4.99787166e-28 5.26428050e-36 7.50569309e-52] energy per atom = -3.278442841992548 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0