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_2019quadratic_Cu__MO_265210066873_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 16:56:14 -16.398201 0.1856 BFGS: 1 16:56:14 -16.399591 0.1641 BFGS: 2 16:56:14 -16.404618 0.0018 BFGS: 3 16:56:14 -16.404619 0.0000 BFGS: 4 16:56:14 -16.404619 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.024708323376252e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.88206208e-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([[3.635521769429562, -1.28066764137827e-33, -3.272909947787011e-33], [3.3904898351042374e-33, 3.635521769429562, -4.564950547872919e-20], [1.112173038929959e-33, -4.564950547873024e-20, 3.635521769429562]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.02470832e-10 -3.02470832e-10 -3.02470832e-10 1.27510015e-27 -2.42859858e-36 -1.46187516e-52] energy per atom = -3.5247234073130285 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0