element(s): ['Pt'] 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: ['3.949'] model name: MEAM_LAMMPS_LeeShimBaskes_2003_Pt__MO_534993486058_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 15:29:25 -23.049506 0.621903 BFGS: 1 15:29:25 -23.063896 0.456997 BFGS: 2 15:29:25 -23.079933 0.030353 BFGS: 3 15:29:25 -23.080000 0.001345 BFGS: 4 15:29:25 -23.080000 0.000004 BFGS: 5 15:29:25 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.0168656634398174e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.917371557709637, -9.507834639671413e-33, -1.628088907638759e-33], [-7.31121185809776e-33, 3.917371557709637, -6.147313237720968e-20], [1.5580150798844293e-33, -6.14731323772099e-20, 3.917371557709637]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.01686566e-11 -3.01686566e-11 -3.01686566e-11 7.89039743e-30 -4.18340296e-36 -1.72397676e-55] energy per atom = -5.770000000774804 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0