element(s): ['Cu'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8755'] model name: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 16:04:38 -6.910856 0.247642 BFGS: 1 16:04:38 -6.913224 0.198328 BFGS: 2 16:04:38 -6.917287 0.010874 BFGS: 3 16:04:38 -6.917299 0.000441 BFGS: 4 16:04:38 -6.917299 0.000001 BFGS: 5 16:04:38 -6.917299 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.767182078075588e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8509792625773867, -9.54197097148255e-33, 6.452463461071345e-36], [-6.532122477154823e-33, 2.850979262577387, -2.3673868640632307e-19], [-4.286052319954964e-35, -2.367386864063239e-19, 2.8509792625773867]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.76718208e-12 -6.76718208e-12 -6.76718208e-12 1.13994399e-29 1.30321196e-34 -2.77351346e-52] energy per atom = -3.4586495280974643 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0