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 21:05:56 -8.594335 0.552390 BFGS: 1 21:05:56 -8.605819 0.416775 BFGS: 2 21:05:57 -8.619875 0.041016 BFGS: 3 21:05:57 -8.619999 0.002639 BFGS: 4 21:05:57 -8.620000 0.000015 BFGS: 5 21:05:57 -8.620000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.133949203468619e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.80592229749961, 5.0411681470899904e-33, 5.511672548982111e-34], [9.814468246983506e-33, 2.80592229749961, 4.0189629715316322e-19], [-1.2806839836533207e-34, 4.018962971531601e-19, 2.80592229749961]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.13394920e-10 -5.13394920e-10 -5.13394920e-10 -6.21954794e-27 6.52315859e-34 3.23052454e-51] energy per atom = -4.309999987368707 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0