element(s): ['Pd'] 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: ['3.9372'] model name: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pd'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.9372, 0, 0], [0, 3.9372, 0], [0, 0, 3.9372]] ========================================= Step Time Energy fmax BFGS: 0 16:35:23 -15.594752 0.612955 BFGS: 1 16:35:23 -15.609484 0.508152 BFGS: 2 16:35:23 -15.639779 0.045273 BFGS: 3 16:35:23 -15.639999 0.002930 BFGS: 4 16:35:23 -15.640000 0.000015 BFGS: 5 16:35:23 -15.640000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.5410741268024217e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pd', 'Pd', 'Pd', 'Pd'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.8899999865780326, -1.478588877883404e-32, 3.47744315853874e-33], [-1.0202336443407319e-36, 3.8899999865780326, -7.310494299387584e-22], [-2.1154409892200726e-33, -7.310494299377004e-22, 3.8899999865780326]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.54107413e-10 -3.54107413e-10 -3.54107413e-10 -1.17288542e-26 -3.39398578e-35 -8.33604957e-52] energy per atom = -3.910000000150362 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0