element(s): ['Co'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.5032', '1.5893656'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.5032, 0, 0], [-1.2516, 2.1678347907532, 0], [0, 0, 3.9785]] ========================================= Step Time Energy fmax BFGS: 0 18:03:42 -8.801755 0.697365 BFGS: 1 18:03:42 -8.810180 0.516607 BFGS: 2 18:03:42 -8.819388 0.090322 BFGS: 3 18:03:42 -8.819635 0.067377 BFGS: 4 18:03:42 -8.820152 0.059713 BFGS: 5 18:03:42 -8.820380 0.029127 BFGS: 6 18:03:42 -8.820437 0.009514 BFGS: 7 18:03:42 -8.820440 0.001299 BFGS: 8 18:03:42 -8.820441 0.000044 BFGS: 9 18:03:42 -8.820441 0.000002 BFGS: 10 18:03:42 -8.820441 0.000000 BFGS: 11 18:03:43 -8.820441 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.5149388111193948e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.5117019425588296, 3.3272550915170352e-19, 4.504036622614686e-37], [-1.2558509712794148, 2.1751976889906692, -4.152108096361888e-37], [5.362719297505145e-36, 8.173620899905615e-36, 4.075422205979359]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.51105428e-12 -1.51105428e-12 -2.51493881e-11 -4.63476655e-34 1.67163202e-46 3.94735559e-28] energy per atom = -4.410220269780075 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0