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_ZhouJohnsonWadley_2004_Ag__MO_947112899505_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 16:47:00 -11.360121 0.4480 BFGS: 1 16:47:00 -11.368289 0.4026 BFGS: 2 16:47:00 -11.399967 0.0085 BFGS: 3 16:47:00 -11.399998 0.0006 BFGS: 4 16:47:00 -11.399980 0.0001 BFGS: 5 16:47:00 -11.399980 0.0000 BFGS: 6 16:47:00 -11.399980 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2800315336546542e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [8.36535899e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.76742276e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.88371138e-34]] cellpar = Cell([[4.089649746906658, 2.1017454153985797e-33, 4.512760154971002e-34], [4.646504264795745e-33, 4.089649746906658, 1.1817471051173603e-17], [8.595549899805873e-34, 1.1817471051173603e-17, 4.089649746906658]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.28003153e-11 1.28003153e-11 1.28003153e-11 -8.44562299e-28 -1.91918573e-36 1.73158033e-52] energy per atom = -2.849995037312868 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0