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: EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pt__MO_388062184209_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 15:36:21 -23.054598 0.567466 BFGS: 1 15:36:21 -23.066568 0.416247 BFGS: 2 15:36:21 -23.079967 0.021235 BFGS: 3 15:36:21 -23.080000 0.000736 BFGS: 4 15:36:21 -23.080000 0.000001 BFGS: 5 15:36:21 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.73302939712687e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [4.36369742e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.9200000550750467, -1.495817785254961e-36, -6.081346247906579e-35], [-1.3094557007759325e-33, 3.9200000550750467, 2.3613645912669386e-19], [-1.7761084520993034e-34, 2.361364591266937e-19, 3.9200000550750467]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.73302940e-12 -4.73302940e-12 -4.73302940e-12 4.16295542e-29 3.34223568e-35 -3.38571473e-52] energy per atom = -5.769999999231371 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0