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: SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000 ==== 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 16:06:01 -8.081490 0.545988 BFGS: 1 16:06:01 -8.093036 0.440894 BFGS: 2 16:06:01 -8.112840 0.056129 BFGS: 3 16:06:01 -8.113126 0.004360 BFGS: 4 16:06:01 -8.113128 0.000023 BFGS: 5 16:06:01 -8.113128 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.008336472458478e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9288323254305646, -1.3379378730003167e-33, 2.271879906354489e-34], [-1.3124304528110542e-33, 2.928832325430565, -6.227972447511326e-20], [5.6621331364119366e-33, -6.22797244751188e-20, 2.9288323254305646]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.00833647e-10 8.00833647e-10 8.00833647e-10 1.97524250e-25 7.75556137e-58 -4.58428440e-59] energy per atom = -1.5074424914183302 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0