element(s): ['Co', 'Ni'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8488'] model name: MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.8488, 0, 0], [0, 2.8488, 0], [0, 0, 2.8488]] ========================================= Step Time Energy fmax BFGS: 0 11:27:07 -8.594335 0.552390 BFGS: 1 11:27:07 -8.605819 0.416775 BFGS: 2 11:27:07 -8.619875 0.041016 BFGS: 3 11:27:07 -8.619999 0.002639 BFGS: 4 11:27:07 -8.620000 0.000015 BFGS: 5 11:27:07 -8.620000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.133955435146478e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8059222974996096, 5.635959458427015e-33, 3.2441890825553666e-33], [8.990828269583865e-33, 2.8059222974996096, 4.0193011094056723e-19], [-8.79442749863016e-34, 4.019301109405681e-19, 2.8059222974996096]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.13395544e-10 -5.13395544e-10 -5.13395544e-10 -2.27362570e-26 3.26157930e-35 1.68654383e-52] energy per atom = -4.309999987368708 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0