element(s): ['Pb'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.975'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.975, 0, 0], [0, 3.975, 0], [0, 0, 3.975]] ========================================= Step Time Energy fmax BFGS: 0 17:10:30 -4.008073 0.069739 BFGS: 1 17:10:30 -4.008265 0.058473 BFGS: 2 17:10:30 -4.008714 0.000704 BFGS: 3 17:10:30 -4.008715 0.000007 BFGS: 4 17:10:30 -4.008715 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.5646548865633106e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.962863466917754, 5.96173897566722e-33, 1.0740004806208574e-34], [5.3250986322364224e-33, 3.962863466917754, 2.2823504165125537e-18], [3.0026210417178785e-35, 2.2823504165125545e-18, 3.962863466917754]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.56465489e-11 2.56465489e-11 2.56465489e-11 -2.99559823e-29 -3.02401891e-63 1.10325648e-61] energy per atom = -2.004357274729533 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0