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: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== 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 15:02:18 -52.468125 9.225924 BFGS: 1 15:02:18 -53.700675 7.094607 BFGS: 2 15:02:18 -54.560973 4.316210 BFGS: 3 15:02:18 -54.932799 0.461246 BFGS: 4 15:02:18 -54.936283 0.075988 BFGS: 5 15:02:18 -54.936378 0.001071 BFGS: 6 15:02:18 -54.936378 0.000002 BFGS: 7 15:02:18 -54.936378 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.7625179780049e-12 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 1.93159683e-34]] cellpar = Cell([[3.988264874482357, -4.41638362337339e-33, 1.62971381878085e-33], [-4.7200370517828014e-33, 3.988264874482357, -1.2477102620266933e-17], [-4.610169720024806e-34, -1.2477102620266932e-17, 3.988264874482357]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.76251798e-12 -4.76251798e-12 -4.76251798e-12 -1.16349058e-28 5.16608102e-34 1.47666198e-50] energy per atom = -13.73409447826416 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0