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_ZhouJohnsonWadley_2004_Ag__MO_947112899505_005 ==== 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 14:46:17 -5.681222 0.4377 BFGS: 1 14:46:17 -5.687533 0.3536 BFGS: 2 14:46:17 -5.697481 0.1016 BFGS: 3 14:46:17 -5.697642 0.0663 BFGS: 4 14:46:17 -5.697772 0.0440 BFGS: 5 14:46:17 -5.698034 0.0296 BFGS: 6 14:46:17 -5.698109 0.0120 BFGS: 7 14:46:17 -5.698119 0.0026 BFGS: 8 14:46:17 -5.698120 0.0003 BFGS: 9 14:46:17 -5.698120 0.0000 BFGS: 10 14:46:17 -5.698120 0.0000 BFGS: 11 14:46:17 -5.698120 0.0000 Minimization converged after 11 steps. Maximum force component: 1.7237337518559957e-33 eV/Angstrom Maximum stress component: 1.8713443416520874e-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([[2.8832657217865254, 3.825351048218602e-18, 1.078855410399778e-37], [-1.4416328608932627, 2.496981360928006, 8.190547258653775e-37], [-2.9982350049437114e-39, 5.4247742994137176e-37, 4.781798971079887]]) forces = [[ 1.85098926e-34 -3.20600745e-34 -1.05162802e-70] [-1.72373375e-33 4.20788478e-34 8.26181786e-71]] stress = [-1.07570293e-10 -1.07570293e-10 -1.87134434e-10 -8.60265683e-35 -1.49002387e-34 -4.07558977e-26] energy per atom = -2.8490599297261885 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0