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_AsadiZaeemNouranian_2015_Ni__MO_700541006254_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 20:40:43 -17.794819 0.183861 BFGS: 1 20:40:44 -17.796165 0.157833 BFGS: 2 20:40:44 -17.799998 0.003623 BFGS: 3 20:40:44 -17.800000 0.000074 BFGS: 4 20:40:44 -17.800000 0.000000 BFGS: 5 20:40:44 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.1508718073591654e-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 1.60231331e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.521391762232312, -5.720014798916016e-37, -1.7470113354828874e-32], [-1.1661970194681812e-33, 3.521391762232312, 2.200051474031764e-21], [-7.481488575119351e-33, 2.2000514740125126e-21, 3.521391762232312]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.15087181e-14 -3.15087181e-14 -3.15087181e-14 -7.47514253e-32 -5.79840526e-34 6.37558441e-50] energy per atom = -4.450000000024904 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0