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_LeeShimBaskes_2003_Ag__MO_969318541747_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 15:16:49 -5.656385 0.589613 BFGS: 1 15:16:49 -5.669609 0.472093 BFGS: 2 15:16:49 -5.690275 0.079944 BFGS: 3 15:16:49 -5.690776 0.009464 BFGS: 4 15:16:49 -5.690782 0.002087 BFGS: 5 15:16:49 -5.690782 0.002098 BFGS: 6 15:16:50 -5.690782 0.000905 BFGS: 7 15:16:50 -5.690782 0.000233 BFGS: 8 15:16:50 -5.690782 0.000016 BFGS: 9 15:16:50 -5.690782 0.000001 BFGS: 10 15:16:50 -5.690782 0.000000 BFGS: 11 15:16:50 -5.690782 0.000000 Minimization converged after 11 steps. Maximum force component: 5.171957493938863e-33 eV/Angstrom Maximum stress component: 2.1721096735834967e-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([[2.8772505694558306, 8.213370743316436e-18, -4.15948358870958e-37], [-1.4386252847279153, 2.4917720862019923, 4.8377101394003505e-37], [1.9886114306369616e-39, 3.3381341950976366e-36, 4.71485674755265]]) forces = [[-5.17195749e-33 3.83918278e-33 1.17261388e-69] [ 5.17195749e-33 -3.83918278e-33 -1.17261388e-69]] stress = [1.54489378e-11 1.54489378e-11 2.17210967e-11 3.49721544e-34 4.15562446e-47 2.51574285e-27] energy per atom = -2.8453912081501738 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0