element(s): ['Ni'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7844'] model name: MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 18:06:13 -8.724716 0.3369 BFGS: 1 18:06:13 -8.728916 0.2444 BFGS: 2 18:06:13 -8.733248 0.0257 BFGS: 3 18:06:13 -8.733290 0.0024 BFGS: 4 18:06:13 -8.733291 0.0000 BFGS: 5 18:06:13 -8.733291 0.0000 BFGS: 6 18:06:13 -8.733291 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1561014743517164e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8072748322566534, 7.316425917612924e-33, 7.696908630336046e-34], [1.024652972677883e-32, 2.8072748322566534, -4.06426001277072e-19], [1.9203046033206962e-33, -4.064260012770713e-19, 2.8072748322566534]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.15610147e-14 -2.15610147e-14 -2.15610147e-14 -2.36640062e-30 3.91012466e-34 2.03302593e-50] energy per atom = -4.366645335583315 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0