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_ShimParkCho_2003_NiW__MO_500937681860_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 -8.577064 0.136423 BFGS: 1 16:20:33 -8.577753 0.099306 BFGS: 2 16:20:33 -8.578542 0.002044 BFGS: 3 16:20:33 -8.578542 0.000032 BFGS: 4 16:20:33 -8.578542 0.000000 BFGS: 5 16:20:33 -8.578542 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.242361809437075e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.79452753403268, -8.361077986389851e-38, 3.554736879334643e-34], [5.513554535003688e-33, 2.79452753403268, 2.7048401239490328e-22], [-3.112333033945851e-33, 2.7048401239453553e-22, 2.79452753403268]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.24236181e-15 -4.24236181e-15 -4.24236181e-15 -7.79566492e-31 -2.46617391e-35 -1.39691091e-51] energy per atom = -4.289271075204067 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0