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_1959HighCutoff_Ag__MO_111986436268_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 15:02:07 -11.952898 0.559777 BFGS: 1 15:02:07 -11.965671 0.504868 BFGS: 2 15:02:07 -12.013835 0.127162 BFGS: 3 15:02:07 -12.016719 0.014198 BFGS: 4 15:02:07 -12.016754 0.000341 BFGS: 5 15:02:07 -12.016754 0.000001 BFGS: 6 15:02:07 -12.016754 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.19465446006402e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.71916391e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 3.78255301e-34]] cellpar = Cell([[4.073291109639939, -8.119930878746317e-34, 1.8037371157648706e-32], [1.6480962976679995e-32, 4.073291109639939, 1.8810557132067406e-17], [-1.8384373464183828e-32, 1.881055713206742e-17, 4.073291109639939]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.19465446e-12 -3.19465446e-12 -3.19465446e-12 -4.09368663e-29 6.19082197e-35 1.40609583e-51] energy per atom = -3.004188615516233 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0