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_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_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 17:10:21 -17.794798 0.1848 BFGS: 1 17:10:21 -17.796157 0.1585 BFGS: 2 17:10:21 -17.799997 0.0042 BFGS: 3 17:10:21 -17.800000 0.0001 BFGS: 4 17:10:21 -17.800000 0.0000 BFGS: 5 17:10:21 -17.800000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.506281271746271e-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([[3.521391775416361, -3.505188079144336e-33, 2.554291444815074e-32], [-1.761160601176144e-33, 3.521391775416361, -3.2590011827593537e-18], [-1.9164576326746435e-32, -3.2590011827593383e-18, 3.521391775416361]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.50628127e-14 -8.50628127e-14 -8.50628127e-14 -2.78043207e-29 1.29428688e-36 1.89896346e-52] energy per atom = -4.450000000003612 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0