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_LeeShimBaskes_2003_Ni__MO_000553624872_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 16:07:21 -8.577064 0.136423 BFGS: 1 16:07:21 -8.577753 0.099307 BFGS: 2 16:07:21 -8.578542 0.002043 BFGS: 3 16:07:21 -8.578542 0.000032 BFGS: 4 16:07:21 -8.578542 0.000000 BFGS: 5 16:07:21 -8.578542 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.844991618499271e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7945275496493913, 2.4064830889247158e-33, 1.368931111419599e-33], [9.542275188322217e-34, 2.7945275496493913, -1.4875828745182872e-22], [3.799291058629145e-33, -1.4875828745329825e-22, 2.7945275496493913]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.84499162e-15 -4.84499162e-15 -4.84499162e-15 1.26507889e-30 -2.46617389e-35 4.91386643e-51] energy per atom = -4.289271075105839 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0