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_2019quadratic_Cu__MO_265210066873_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 -8.107567 0.230812 BFGS: 1 16:06:01 -8.109647 0.189800 BFGS: 2 16:06:01 -8.114140 0.008296 BFGS: 3 16:06:01 -8.114149 0.000208 BFGS: 4 16:06:01 -8.114149 0.000000 BFGS: 5 16:06:01 -8.114149 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.6351324745444785e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9032087396544415, 5.718539510979238e-33, 3.095145884669669e-33], [1.308202755733476e-40, 2.903208739654442, -1.5860711100132454e-19], [-2.6805573515666273e-33, -1.5860711100131542e-19, 2.9032087396544415]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.63513247e-13 -1.63513247e-13 -1.63513247e-13 1.19576551e-29 -2.28498819e-35 8.80498269e-52] energy per atom = -3.480643131386631 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0