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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 ==== 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 15:06:02 -15.162795 0.558540 BFGS: 1 15:06:02 -15.176027 0.548961 BFGS: 2 15:06:02 -15.268482 0.763585 BFGS: 3 15:06:02 -15.414049 1.152126 BFGS: 4 15:06:02 -15.598005 1.244016 BFGS: 5 15:06:02 -15.774072 1.072886 BFGS: 6 15:06:02 -15.910629 0.713120 BFGS: 7 15:06:02 -15.975194 0.084368 BFGS: 8 15:06:02 -15.975969 0.000768 BFGS: 9 15:06:02 -15.975969 0.000074 BFGS: 10 15:06:02 -15.975969 0.000000 BFGS: 11 15:06:02 -15.975969 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.198987419185295e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.21968964e-50 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([[3.8531725003986623, 9.126045374022545e-33, -8.658652979798085e-34], [2.8367583273126097e-34, 3.8531725003986623, 1.2382883051742801e-17], [1.5931864693910592e-33, 1.23828830517428e-17, 3.8531725003986623]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.19898742e-13 1.19898742e-13 1.19898742e-13 -1.25443954e-31 3.94561949e-35 -4.80322368e-53] energy per atom = -3.9939923154303156 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0