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: Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ag__MO_861893969202_004 ==== 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 16:46:44 -11.843753 0.5260 BFGS: 1 16:46:44 -11.855022 0.4736 BFGS: 2 16:46:44 -11.898116 0.0907 BFGS: 3 16:46:44 -11.900161 0.0153 BFGS: 4 16:46:44 -11.900197 0.0053 BFGS: 5 16:46:44 -11.900202 0.0000 BFGS: 6 16:46:44 -11.900202 0.0000 BFGS: 7 16:46:44 -11.900202 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.402290308958533e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [4.1972954e-50 5.0000000e-01 5.0000000e-01] [5.0000000e-01 0.0000000e+00 5.0000000e-01] [5.0000000e-01 5.0000000e-01 0.0000000e+00]] cellpar = Cell([[4.075408685339486, -5.025083201225459e-33, 1.049211919424159e-33], [7.52531634145338e-34, 4.075408685339486, 1.1260870473186854e-18], [8.224632477796304e-33, 1.1260870473186752e-18, 4.075408685339486]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.40229031e-15 -2.40229031e-15 -2.40229031e-15 -7.72373012e-31 4.08800955e-63 -9.33677709e-65] energy per atom = -2.9750505002692202 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0