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_KangSaLee_2009_ZrAgCu__MO_813575892799_001 ==== 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 15:37:21 -5.656385 0.589613 BFGS: 1 15:37:21 -5.669609 0.472093 BFGS: 2 15:37:21 -5.690275 0.079945 BFGS: 3 15:37:21 -5.690776 0.009464 BFGS: 4 15:37:21 -5.690782 0.002087 BFGS: 5 15:37:21 -5.690782 0.002098 BFGS: 6 15:37:21 -5.690782 0.000905 BFGS: 7 15:37:21 -5.690782 0.000233 BFGS: 8 15:37:21 -5.690782 0.000016 BFGS: 9 15:37:21 -5.690782 0.000001 BFGS: 10 15:37:21 -5.690782 0.000000 BFGS: 11 15:37:21 -5.690782 0.000000 Minimization converged after 11 steps. Maximum force component: 3.874339797802738e-32 eV/Angstrom Maximum stress component: 2.1741138824553036e-11 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([[2.8772505676912488, 9.30404760473214e-19, 1.671769125555118e-36], [-1.4386252838456244, 2.491772084673819, -1.037392746658816e-37], [1.1158885306800632e-35, 6.035475312467504e-35, 4.714856803365848]]) forces = [[-9.16959205e-68 -4.95953179e-67 -3.87433980e-32] [ 9.16959205e-68 4.95953179e-67 3.87433980e-32]] stress = [ 1.54625990e-11 1.54625990e-11 2.17411388e-11 -8.61288375e-47 -8.28421100e-48 -5.33645631e-27] energy per atom = -2.8453912081523596 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0