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_KimLee_2006_PtFe__MO_343168101490_002 ==== 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 15:38:47 -23.049506 0.621904 BFGS: 1 15:38:47 -23.063896 0.456997 BFGS: 2 15:38:47 -23.079933 0.030351 BFGS: 3 15:38:47 -23.080000 0.001345 BFGS: 4 15:38:47 -23.080000 0.000004 BFGS: 5 15:38:47 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.98854224094524e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 6.14547887e-36]] cellpar = Cell([[3.917371585984049, -2.937906168826858e-32, -2.1061079151461393e-33], [-2.6331474103376916e-34, 3.917371585984049, 2.688322621877448e-19], [-4.7925384950506067e-33, 2.6883226218773417e-19, 3.917371585984049]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-2.98854224e-11 -2.98854224e-11 -2.98854224e-11 1.31605328e-27 -1.25502087e-35 -1.54881278e-52] energy per atom = -5.77000000053893 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0