element(s): ['Ag'] AFLOW prototype label: A_hP4_194_ac 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: ['2.9312', '3.2802265'] model name: MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.9312, 0, 0], [-1.4656, 2.5384936635729, 0], [0, 0, 9.615]] ========================================= Step Time Energy fmax BFGS: 0 15:18:55 -11.321455 0.5990 BFGS: 1 15:18:55 -11.335507 0.5416 BFGS: 2 15:18:55 -11.386475 0.1687 BFGS: 3 15:18:55 -11.390617 0.0274 BFGS: 4 15:18:55 -11.390690 0.0138 BFGS: 5 15:18:55 -11.390694 0.0131 BFGS: 6 15:18:55 -11.390737 0.0001 BFGS: 7 15:18:55 -11.390737 0.0000 BFGS: 8 15:18:55 -11.390737 0.0000 Minimization converged after 8 steps. Maximum force component: 1.0242638292835065e-32 eV/Angstrom Maximum stress component: 1.8849442671275862e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0. 0.5 ] [0.33333333 0.66666667 0.25 ] [0.66666667 0.33333333 0.75 ]] cellpar = Cell([[2.878604498706432, -7.620171398119578e-18, -1.8100717160536547e-38], [-1.439302249353216, 2.4929446233279395, -3.875889769456018e-38], [1.2636913878493353e-37, 1.3240830823786507e-35, 9.417983508231895]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 3.24504145e-71 3.40012168e-69 2.41845019e-33] [ 8.87038496e-33 -1.02426383e-32 1.40654386e-70]] stress = [-4.87796556e-12 -4.87796556e-12 -1.88494427e-11 6.99984848e-34 -1.27609842e-46 7.33936610e-28] energy per atom = -2.8476841470201726 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0