element(s): ['Ag'] 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: ['4.1492'] model name: EAM_Dynamo_HaleWongZimmerman_2008PairHybrid_PdAgH__MO_104806802344_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 16:46:16 -11.360154 0.4543 BFGS: 1 16:46:16 -11.368532 0.4061 BFGS: 2 16:46:16 -11.400050 0.0052 BFGS: 3 16:46:16 -11.400054 0.0004 BFGS: 4 16:46:16 -11.400054 0.0000 BFGS: 5 16:46:16 -11.400054 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.225178197603886e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.089974212018342, 4.842656202336276e-37, -1.9496880809785104e-33], [-1.1003529563822678e-33, 4.089974212018342, -1.1475257873829718e-17], [7.488584007365346e-33, -1.147525787382973e-17, 4.089974212018342]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 8.22517820e-13 8.22517820e-13 8.22517820e-13 -2.55006261e-28 2.89631136e-35 -4.47696446e-51] energy per atom = -2.8500077479531183 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0