element(s): ['Cu'] 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: ['3.6146'] model name: EAM_NN_Johnson_1988_Cu__MO_887933271505_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:54:35 -14.160000 0.0011 BFGS: 1 16:54:35 -14.160000 0.0010 BFGS: 2 16:54:35 -14.160000 0.0000 BFGS: 3 16:54:35 -14.160000 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.4675869794861614e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.05155614e-58]] cellpar = Cell([[3.6147298654221856, -8.139519648641493e-45, 3.486482769828153e-41], [-6.616122039942263e-44, 3.6147298654221856, 8.359486051824958e-45], [8.270152549928768e-45, -1.3134874806658522e-42, 3.6147298654221856]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.46758698e-12 -2.46758698e-12 -2.46758698e-12 -1.64460260e-27 1.03817179e-72 3.72184481e-72] energy per atom = -3.53999999999999 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0