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: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ag__MO_626948998302_000 ==== 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 14:45:04 -5.678350 0.4745 BFGS: 1 14:45:04 -5.686491 0.3778 BFGS: 2 14:45:04 -5.699223 0.0380 BFGS: 3 14:45:04 -5.699292 0.0244 BFGS: 4 14:45:04 -5.699302 0.0203 BFGS: 5 14:45:04 -5.699339 0.0048 BFGS: 6 14:45:04 -5.699341 0.0012 BFGS: 7 14:45:04 -5.699341 0.0000 BFGS: 8 14:45:04 -5.699341 0.0000 BFGS: 9 14:45:04 -5.699341 0.0000 BFGS: 10 14:45:04 -5.699341 0.0000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.671189808853619e-12 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([[2.892481016064991, 2.137244362023732e-17, -1.0968669051536418e-37], [-1.4462405080324956, 2.504962039876507, -8.767794206495906e-38], [2.4720522398212536e-36, 9.41583985540311e-36, 4.719844540832646]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.67118981e-12 8.67118981e-12 6.03201724e-12 1.30317167e-34 -7.52386513e-35 -1.41534598e-27] energy per atom = -2.8496704799883203 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0