element(s): ['Cu', 'Ti'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.1425'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu', 'Ti'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[3.1425, 0, 0], [0, 3.1425, 0], [0, 0, 3.1425]] ========================================= Step Time Energy fmax BFGS: 0 11:27:08 -8.844344 0.552067 BFGS: 1 11:27:08 -8.856071 0.438614 BFGS: 2 11:27:08 -8.874911 0.035278 BFGS: 3 11:27:08 -8.875025 0.001622 BFGS: 4 11:27:08 -8.875025 0.000002 BFGS: 5 11:27:08 -8.875025 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.2892569866597474e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Ti'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.085609794162713, 7.593536949242417e-33, -1.488119427129542e-34], [2.6642704407469022e-33, 3.085609794162713, 1.7439353587197362e-20], [5.377165421589455e-33, 1.7439353587195342e-20, 3.085609794162713]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.28925699e-11 -3.28925699e-11 -3.28925699e-11 -7.21891658e-27 -2.69710102e-35 -6.08319411e-51] energy per atom = -4.437512691786808 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0