element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Co__MO_247800397145_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 16:50:04 -17.600207 0.2329 BFGS: 1 16:50:04 -17.602388 0.2039 BFGS: 2 16:50:04 -17.609349 0.0080 BFGS: 3 16:50:04 -17.609359 0.0003 BFGS: 4 16:50:04 -17.609359 0.0000 BFGS: 5 16:50:04 -17.609359 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2056635742698649e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.549095512434163, 1.3602181483942133e-34, -1.1392732599412491e-33], [-1.0966099083624948e-34, 3.549095512434163, 7.23495853476881e-24], [3.808152571243246e-37, 7.23495853354412e-24, 3.549095512434163]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.20566357e-12 -1.20566357e-12 -1.20566357e-12 5.48247703e-28 -4.07731104e-35 9.27934328e-51] energy per atom = -4.402339831185353 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0