element(s): ['Ag'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.933', '1.6373338'] model name: MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]] ========================================= Step Time Energy fmax BFGS: 0 14:46:30 -5.663348 0.5284 BFGS: 1 14:46:30 -5.673943 0.4222 BFGS: 2 14:46:30 -5.690853 0.0547 BFGS: 3 14:46:30 -5.691081 0.0060 BFGS: 4 14:46:30 -5.691083 0.0033 BFGS: 5 14:46:30 -5.691084 0.0033 BFGS: 6 14:46:30 -5.691085 0.0019 BFGS: 7 14:46:30 -5.691085 0.0006 BFGS: 8 14:46:30 -5.691085 0.0001 BFGS: 9 14:46:30 -5.691085 0.0000 BFGS: 10 14:46:30 -5.691085 0.0000 BFGS: 11 14:46:30 -5.691085 0.0000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.678424839572303e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.882034194520977, 1.6415512760838548e-17, 1.903403288053677e-37], [-1.4410170972604885, 2.4959148270305893, 4.294148909362111e-37], [1.4798976109619603e-37, -1.2492806018077584e-35, 4.7237273249083]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.73096478e-10 1.73096478e-10 2.67842484e-10 -1.39394172e-33 -1.15434959e-45 9.46776608e-26] energy per atom = -2.8455424118437755 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0