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_KangSaLee_2009_ZrAgCu__MO_813575892799_002 ==== 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 21:16:00 -11.333616 0.576375 BFGS: 1 21:16:00 -11.347152 0.519249 BFGS: 2 21:16:00 -11.396928 0.132740 BFGS: 3 21:16:00 -11.399952 0.016852 BFGS: 4 21:16:01 -11.400000 0.000458 BFGS: 5 21:16:01 -11.400000 0.000002 BFGS: 6 21:16:01 -11.400000 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.985845086815877e-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 3.78288369e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.072935045497844, 5.0244517044374636e-33, -2.2474962075117227e-33], [4.354255846506136e-34, 4.072935045497844, 1.2087480885300219e-17], [1.964153921461408e-33, 1.2087480885300219e-17, 4.072935045497844]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-7.98584509e-12 -7.98584509e-12 -7.98584509e-12 -1.68734751e-28 -2.89406722e-37 -8.31230527e-54] energy per atom = -2.850000000313235 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0