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_WilliamsMishinHamilton_2006_Ag__MO_131620013077_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 15:02:24 -11.360132 0.454133 BFGS: 1 15:02:24 -11.368504 0.405989 BFGS: 2 15:02:24 -11.399996 0.004997 BFGS: 3 15:02:24 -11.400000 0.000339 BFGS: 4 15:02:24 -11.400000 0.000000 BFGS: 5 15:02:24 -11.400000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.029189252762283e-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([[4.090000144872475, 1.4597429233349647e-32, -5.0401816060539795e-33], [1.8825989207646416e-33, 4.090000144872475, 2.7789043036389306e-21], [-1.463378467877012e-32, 2.7789043036483172e-21, 4.090000144872475]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 7.02918925e-13 7.02918925e-13 7.02918925e-13 -1.15933019e-28 -7.67542761e-36 1.70796286e-51] energy per atom = -2.849999948574341 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0