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_AdamsFoilesWolfer_1989Universal6_Ag__MO_681640899874_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 -5.678342 0.4744 BFGS: 1 14:45:04 -5.686482 0.3777 BFGS: 2 14:45:04 -5.699212 0.0379 BFGS: 3 14:45:04 -5.699280 0.0244 BFGS: 4 14:45:04 -5.699290 0.0204 BFGS: 5 14:45:04 -5.699328 0.0047 BFGS: 6 14:45:04 -5.699329 0.0012 BFGS: 7 14:45:04 -5.699330 0.0000 BFGS: 8 14:45:04 -5.699330 0.0000 BFGS: 9 14:45:04 -5.699330 0.0000 BFGS: 10 14:45:04 -5.699330 0.0000 Minimization converged after 10 steps. Maximum force component: 9.696047622832574e-33 eV/Angstrom Maximum stress component: 7.285410552332021e-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([[2.8924836045440268, 8.352594448083753e-18, -4.809864108332833e-38], [-1.4462418022720134, 2.5049642815651096, -3.5700615133452744e-38], [-3.421751223330236e-37, -6.0115850113523366e-36, 4.71982102614728]]) forces = [[ 6.68486495e-33 -3.85950858e-33 -9.69604762e-33] [ 7.42762772e-34 6.43251429e-33 9.69604762e-33]] stress = [ 7.28541055e-12 7.28541055e-12 5.12643783e-12 8.68784663e-35 -6.79548314e-48 -2.05164472e-27] energy per atom = -2.8496647585644905 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0