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_AsadiZaeemNouranian_2015_Ni__MO_700541006254_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 20:40:43 -8.533836 0.044412 BFGS: 1 20:40:43 -8.533909 0.032509 BFGS: 2 20:40:43 -8.533994 0.000196 BFGS: 3 20:40:43 -8.533994 0.000001 BFGS: 4 20:40:44 -8.533994 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.2084752100175796e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7877105426298217, 2.710914069188946e-37, -1.0303382581660872e-32], [1.84141797419026e-34, 2.7877105426298217, -5.459262569072132e-23], [1.256605720798313e-32, -5.459262569274788e-23, 2.7877105426298217]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.20847521e-12 -2.20847521e-12 -2.20847521e-12 1.59309269e-27 2.47825009e-35 -9.15108005e-51] energy per atom = -4.266996871090234 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0