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: SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000 ==== 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 15:11:15 -16.399641 0.172052 BFGS: 1 15:11:15 -16.400835 0.151787 BFGS: 2 15:11:15 -16.405078 0.002684 BFGS: 3 15:11:15 -16.405080 0.000046 BFGS: 4 15:11:15 -16.405080 0.000000 BFGS: 5 15:11:15 -16.405080 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.9462691475129915e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.76594742e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6337616481505854, 2.2770989687449562e-33, -3.9801061312920646e-33], [1.8110321978363815e-32, 3.6337616481505854, -6.615466303555269e-20], [4.028675960009678e-33, -6.615466303556118e-20, 3.6337616481505854]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.94626915e-15 -6.94626915e-15 -6.94626915e-15 7.53089452e-34 -1.46464851e-34 3.32095858e-53] energy per atom = -1.5521486117375014 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0