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: EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005 ==== 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 15:09:05 -13.681953 0.222948 BFGS: 1 15:09:05 -13.683953 0.195727 BFGS: 2 15:09:05 -13.690866 0.007548 BFGS: 3 15:09:05 -13.690877 0.000239 BFGS: 4 15:09:05 -13.690877 0.000000 BFGS: 5 15:09:05 -13.690877 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.931108392925068e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.80893498e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.6390298458211974, 1.1163915187736076e-33, -3.633024582804757e-34], [1.313410462179298e-32, 3.6390298458211974, 1.292510647345929e-21], [-9.363769751784634e-34, 1.292510647350528e-21, 3.6390298458211974]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-7.93110839e-13 -7.93110839e-13 -7.93110839e-13 -4.89087354e-29 6.05979607e-37 2.16358277e-53] energy per atom = -3.422719162964209 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0