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_OnatDurukanoglu_2014_CuNi__MO_592013496703_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 15:09:06 -14.159998 0.003404 BFGS: 1 15:09:06 -14.159999 0.003032 BFGS: 2 15:09:06 -14.160000 0.000001 BFGS: 3 15:09:06 -14.160000 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.6262945073954455e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 5.0000000e-01 5.0000000e-01] [5.0000000e-01 5.0807996e-41 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[3.6150017087421755, 1.1365245159246255e-33, 4.4375930288353666e-33], [1.4206963363152403e-32, 3.6150017087421755, -1.6855038070300827e-24], [3.858500829572509e-33, -1.6855038070305055e-24, 3.6150017087421755]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.62629451e-11 -4.62629451e-11 -4.62629451e-11 -8.65813114e-27 -6.87749452e-35 -2.84800023e-51] energy per atom = -3.54000010915709 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0