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_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_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 15:09:07 -14.159998 0.003387 BFGS: 1 15:09:07 -14.159998 0.003016 BFGS: 2 15:09:07 -14.160000 0.000001 BFGS: 3 15:09:07 -14.160000 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.3103735659735566e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.95741598e-51 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6150000281573846, 1.5091309724662327e-34, 7.692384689175236e-37], [1.2428048257546303e-34, 3.6150000281573846, 2.0017985380124303e-25], [5.604577757195638e-37, 2.001798538012457e-25, 3.6150000281573846]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.31037357e-11 -2.31037357e-11 -2.31037357e-11 -3.26323214e-29 4.91250065e-36 9.64820430e-54] energy per atom = -3.539999767756636 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0