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: MEAM_LAMMPS_LeeShimBaskes_2003_Ag__MO_969318541747_000 ==== 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 15:02:36 -11.333616 0.576375 BFGS: 1 15:02:36 -11.347152 0.519249 BFGS: 2 15:02:36 -11.396928 0.132740 BFGS: 3 15:02:36 -11.399952 0.016851 BFGS: 4 15:02:36 -11.400000 0.000458 BFGS: 5 15:02:36 -11.400000 0.000002 BFGS: 6 15:02:36 -11.400000 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.0155100727001e-12 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([[4.07293504306643, 7.1712844350435e-35, -3.2708750489468346e-33], [-4.1853764200395225e-33, 4.07293504306643, 1.0981414969515598e-17], [4.9206157623481245e-33, 1.0981414969515584e-17, 4.07293504306643]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.01551007e-12 -8.01551007e-12 -8.01551007e-12 -1.02797851e-28 1.76196380e-38 2.01129551e-55] energy per atom = -2.850000000089298 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0