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_LiHuChen_2018_Cu__MO_529419924683_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 -16.400526 0.1827 BFGS: 1 16:56:14 -16.401863 0.1588 BFGS: 2 16:56:14 -16.406172 0.0089 BFGS: 3 16:56:14 -16.406186 0.0005 BFGS: 4 16:56:14 -16.406186 0.0000 BFGS: 5 16:56:14 -16.406186 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.6703080986340916e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [7.53210126e-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([[3.63366206544985, 4.522784359423854e-33, 3.821389293236267e-33], [1.8091500859857165e-32, 3.63366206544985, -1.9734575947724817e-19], [9.95275631130081e-33, -1.9734575947725157e-19, 3.63366206544985]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.67030810e-11 -2.67030810e-11 -2.67030810e-11 -5.03726630e-27 -9.75006129e-59 -2.75082591e-59] energy per atom = -2.566311557807938 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0