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_PunMishin_2012_Co__MO_885079680379_005 ==== 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 -17.538257 0.0936 BFGS: 1 16:50:04 -17.538605 0.0797 BFGS: 2 16:50:04 -17.539514 0.0004 BFGS: 3 16:50:04 -17.539514 0.0000 BFGS: 4 16:50:04 -17.539514 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.3688386502262874e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.64901956e-39]] cellpar = Cell([[3.564221984488621, -1.847600733682952e-35, 1.171948672998154e-34], [3.5461938790293106e-35, 3.564221984488621, -8.681183882205418e-23], [-3.7988836619236837e-34, -8.681183882201821e-23, 3.564221984488621]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 4.36883865e-12 4.36883865e-12 4.36883865e-12 -1.08306013e-27 -1.71818000e-34 2.04992719e-50] energy per atom = -4.3680754772676655 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0