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: MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 ==== 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 16:55:06 -14.159587 0.0462 BFGS: 1 16:55:06 -14.159673 0.0410 BFGS: 2 16:55:06 -14.160000 0.0003 BFGS: 3 16:55:06 -14.160000 0.0000 BFGS: 4 16:55:06 -14.160000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.003038549552309e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6199999928363846, 5.76308564840598e-34, 3.554702105968808e-33], [5.6749904130050645e-34, 3.6199999928363846, -1.666602519540144e-22], [-3.643514520891994e-33, -1.6666025195401632e-22, 3.6199999928363846]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-9.00303855e-12 -9.00303855e-12 -9.00303855e-12 5.41657701e-29 3.91915174e-35 2.69075584e-52] energy per atom = -3.5400000000585163 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0