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_Wagner_2007_Ni__MO_444394830472_001 ==== 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 16:20:33 -8.727042 0.355274 BFGS: 1 16:20:33 -8.731905 0.283143 BFGS: 2 16:20:33 -8.739982 0.017649 BFGS: 3 16:20:33 -8.740011 0.000799 BFGS: 4 16:20:33 -8.740011 0.000002 BFGS: 5 16:20:33 -8.740011 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.4035887533694155e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7511546135342195, -1.5057729697991018e-33, 1.955483658106375e-33], [-5.8400311651537696e-33, 2.7511546135342195, -3.621142313344413e-19], [-1.5641652838346387e-33, -3.6211423133444036e-19, 2.7511546135342195]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.40358875e-11 -2.40358875e-11 -2.40358875e-11 8.27053626e-28 -3.39272943e-35 5.39540432e-52] energy per atom = -4.370005590365414 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0