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 16:15:16 -17.600207 0.232950 BFGS: 1 16:15:16 -17.602388 0.203947 BFGS: 2 16:15:16 -17.609349 0.008028 BFGS: 3 16:15:16 -17.609359 0.000265 BFGS: 4 16:15:16 -17.609359 0.000000 BFGS: 5 16:15:16 -17.609359 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2056635742698647e-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, -1.5339350926550597e-34, 1.35912858973718e-35], [6.670147206750501e-35, 3.549095512434163, 7.234958533611148e-24], [1.5841185948422488e-36, 7.234958533630041e-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 1.53890113e-30 -4.07731104e-35 3.00516795e-52] 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