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_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== 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 16:46:18 -11.883979 0.0962 BFGS: 1 16:46:18 -11.884350 0.0840 BFGS: 2 16:46:18 -11.885550 0.0008 BFGS: 3 16:46:18 -11.885550 0.0000 BFGS: 4 16:46:18 -11.885550 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.368912640662313e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.62903858e-35]] cellpar = Cell([[4.160539841828108, 1.614714001234126e-32, -6.77627347522532e-34], [1.5056826041063638e-32, 4.160539841828108, 2.1792536195306495e-18], [-7.812640952285663e-36, 2.1792536195306495e-18, 4.160539841828108]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.36891264e-11 -3.36891264e-11 -3.36891264e-11 -1.05267273e-28 -5.82032834e-61 4.38737002e-59] energy per atom = -2.9713876039940854 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0