element(s): ['C'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5727'] model name: MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]] ========================================= Step Time Energy fmax BFGS: 0 15:24:38 -58.942384 0.071401 BFGS: 1 15:24:38 -58.942593 0.065405 BFGS: 2 15:24:38 -58.943682 0.000231 BFGS: 3 15:24:38 -58.943682 0.000001 BFGS: 4 15:24:38 -58.943682 0.000000 Minimization converged after 4 steps. Maximum force component: 2.7733340183917665e-31 eV/Angstrom Maximum stress component: 1.4168498744315477e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 4.87902253e-33 4.53818141e-33] [5.13581319e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.26298500e-33] [5.00000000e-01 3.33822184e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[3.56729319026342, 1.1337564292889456e-33, -4.7723669229129886e-35], [-2.2990138540617106e-33, 3.56729319026342, 3.756492065831242e-21], [3.860592205895355e-36, 3.756492065831242e-21, 3.56729319026342]]) forces = [[ 1.08093613e-31 -2.37714344e-31 -5.86270445e-32] [-6.22912348e-32 1.17254089e-31 -1.31910850e-31] [-7.32838056e-32 1.17254089e-31 -2.63821700e-31] [-1.75881133e-31 1.31910850e-31 -2.93135222e-32] [-3.79737200e-65 5.86270445e-32 -1.75881133e-31] [-2.07026751e-31 1.75881133e-31 -1.17254089e-31] [ 8.42763764e-32 2.93135222e-32 1.97866275e-31] [ 4.39702834e-32 -2.77333402e-31 2.34508178e-31]] stress = [ 1.41684987e-12 1.41684987e-12 1.41684987e-12 -1.82200571e-29 2.11374199e-63 6.74796030e-62] energy per atom = -7.367960243322744 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0