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: MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_001 ==== 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 15:06:25 -17.598686 0.388796 BFGS: 1 15:06:25 -17.604735 0.337144 BFGS: 2 15:06:25 -17.622315 0.019628 BFGS: 3 15:06:25 -17.622371 0.000908 BFGS: 4 15:06:25 -17.622371 0.000002 BFGS: 5 15:06:26 -17.622371 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.376573800978683e-11 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([[3.5365656141513675, 4.5000499148228196e-33, 9.769104811982518e-34], [-2.324036064950908e-33, 3.5365656141513675, -8.260312509733821e-19], [-1.8306550667876065e-32, -8.260312509733641e-19, 3.5365656141513675]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.37657380e-11 -2.37657380e-11 -2.37657380e-11 2.03135471e-27 3.07512521e-59 3.10965435e-60] energy per atom = -4.405592724875618 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0