element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 15:24:24 -17.795808 0.162263 BFGS: 1 15:24:24 -17.796859 0.140177 BFGS: 2 15:24:24 -17.799999 0.002908 BFGS: 3 15:24:24 -17.800000 0.000054 BFGS: 4 15:24:24 -17.800000 0.000000 BFGS: 5 15:24:24 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4860738113057493e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5199999915699802, -2.364861709081583e-33, -3.4530306167117424e-33], [-1.843554673287058e-32, 3.5199999915699802, 2.985112421305117e-18], [1.267311421707042e-32, 2.9851124213051062e-18, 3.5199999915699802]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.48607381e-14 -1.48607381e-14 -1.48607381e-14 4.84021073e-31 -5.18124234e-36 -4.44765172e-52] energy per atom = -4.450000000141214 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0