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_Pb__MO_116920074573_005 ==== 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 16:22:17 -4.008073 0.069757 BFGS: 1 16:22:17 -4.008265 0.058458 BFGS: 2 16:22:17 -4.008715 0.000507 BFGS: 3 16:22:17 -4.008715 0.000006 BFGS: 4 16:22:17 -4.008715 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.6745520815875354e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.9628589865517534, -5.1842741264731225e-33, -6.966194035765917e-33], [-9.09668236424409e-33, 3.9628589865517534, -6.6344862870389924e-21], [-4.5934154438830426e-33, -6.6344862870462756e-21, 3.9628589865517534]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 2.67455208e-11 2.67455208e-11 2.67455208e-11 1.02122255e-26 -2.45274977e-35 -3.03858960e-51] energy per atom = -2.0043583486249257 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0