element(s): ['H'] AFLOW prototype label: A_tP1_123_a 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: ['3.1695', '0.94664774'] model name: MEAM_LAMMPS_LeeLee_2014_ZrH__MO_946208788356_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['H'] representative atom coordinates = [[0 0 0]] spacegroup = 123 cell = [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]] ========================================= Step Time Energy fmax BFGS: 0 21:00:38 1.844041 2.755498 BFGS: 1 21:00:38 1.559272 2.360144 BFGS: 2 21:00:38 1.258505 1.932183 BFGS: 3 21:00:38 1.014215 1.576519 BFGS: 4 21:00:38 0.816093 1.282495 BFGS: 5 21:00:38 0.655681 1.040523 BFGS: 6 21:00:38 0.526021 0.842160 BFGS: 7 21:00:38 0.421397 0.680100 BFGS: 8 21:00:38 0.337115 0.548099 BFGS: 9 21:00:38 0.269331 0.440874 BFGS: 10 21:00:38 0.214899 0.353989 BFGS: 11 21:00:38 0.171256 0.283746 BFGS: 12 21:00:38 0.133093 0.766647 BFGS: 13 21:00:38 0.026897 0.125794 BFGS: 14 21:00:38 0.026287 0.125128 BFGS: 15 21:00:38 0.000000 0.000000 Minimization converged after 15 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 0.0 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H'] basis = [[0. 0. 0.]] cellpar = Cell([[5.20267947003913, 3.2246039696814484e-33, -4.922572771123755e-35], [2.716724965785879e-33, 5.202679470039129, 3.262136373662192e-18], [8.521173753954771e-34, 3.1880290964419747e-18, 5.056395739275677]]) forces = [[0. 0. 0.]] stress = [0. 0. 0. 0. 0. 0.] energy per atom = 0.0 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0