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_002 ==== 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 16:33:43 -17.795808 0.162263 BFGS: 1 16:33:43 -17.796859 0.140177 BFGS: 2 16:33:43 -17.799999 0.002908 BFGS: 3 16:33:43 -17.800000 0.000054 BFGS: 4 16:33:43 -17.800000 0.000000 BFGS: 5 16:33:43 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4565793305768878e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 1.64141757e-34 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.519999991569981, -6.497594985505754e-33, -1.6450697364247435e-33], [-4.625210429977537e-33, 3.519999991569981, 2.8992400130272375e-18], [8.443441612943804e-34, 2.8992400130272375e-18, 3.519999991569981]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.45657933e-14 -1.45657933e-14 -1.45657933e-14 1.84370429e-31 -2.07249694e-35 2.95520268e-52] energy per atom = -4.450000000141204 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0